diff --git "a/Boldini2024/GPCR3.csv" "b/Boldini2024/GPCR3.csv"
new file mode 100644--- /dev/null
+++ "b/Boldini2024/GPCR3.csv"
@@ -0,0 +1,63644 @@
+SMILES,Primary,Score,Confirmatory
+Brc1[nH]nc2ccccc12,0,0.0,
+Brc1c(CSc2nc3ccccc3o2)nc2ncccn12,0,0.0,
+Brc1c(CSc2nnc(-c3ccco3)o2)nc2ccccn12,0,0.0,
+Brc1c(CSc2nncn2-c2ccccc2)nc2ncccn12,0,0.0,
+Brc1c(CSc2nncn2-c2ccccc2)nc2sccn12,0,0.0,
+Brc1c(NC2=NCCN2)ccc2nccnc12,0,0.0,
+Brc1c(OCCOCCn2cncn2)ccc2ccccc12,0,0.0,
+Brc1cc(Br)c2ncnc(N3CCCCC3)c2c1,0,0.0,
+Brc1cc2[nH]cnc2c2ccccc12,0,0.0,
+Brc1cc2c(cc1COc1ccc(-c3nn[nH]n3)cc1)OCO2,0,0.0,
+Brc1cc2c(cc1Cn1c(-c3cncs3)nc3ccccc31)OCO2,0,0.0,
+Brc1ccc(-c2cn3cccnc3n2)cc1,0,0.0,
+Brc1ccc(-c2cnc(-c3cccs3)o2)cc1,0,0.0,
+Brc1ccc(-c2cnc3n2CCCC3)cc1,1,100.0,1.0
+Brc1ccc(-c2cnnc(N3CCCC3)n2)cc1,0,0.0,
+Brc1ccc(-c2csc(/N=C/N3CCOCC3)n2)cc1,0,0.0,
+Brc1ccc(-c2nc(-c3ccccc3)no2)o1,0,0.0,
+Brc1ccc(-c2nc(-c3ccccn3)no2)o1,0,0.0,
+Brc1ccc(-c2nc(-c3cccnc3)no2)o1,0,0.0,
+Brc1ccc(-c2nc(-c3ccncc3)no2)o1,0,0.0,
+Brc1ccc(-c2nc3ccccc3s2)s1,0,0.0,
+Brc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)o1,0,0.0,
+Brc1ccc(-c2nn3c(-c4ccco4)nnc3s2)o1,0,0.0,
+Brc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)o1,1,100.0,
+Brc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)o1,0,0.0,
+Brc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)o1,0,0.0,
+Brc1ccc(-c2nnc(-c3ccccc3Br)o2)cc1,0,0.0,
+Brc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+Brc1ccc(-c2nnc3ccc(N4CCN(c5ccccc5)CC4)nn23)cc1,0,0.0,
+Brc1ccc(-c2nnc3n2-c2ccccc2CC3)cc1,0,0.0,
+Brc1ccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)cc1,0,0.0,
+Brc1ccc(-c2nnc3sc(CN4CCN(c5ccccc5)CC4)cn23)cc1,0,0.0,
+Brc1ccc(-c2nnc3sc(CN4CCc5ccccc5C4)cn23)cc1,0,0.0,
+Brc1ccc(-c2nnc3sc(CNC4CCCC4)cn23)cc1,0,0.0,
+Brc1ccc(-c2nnc3sc(CNCc4ccc5c(c4)OCO5)cn23)cc1,0,0.0,
+Brc1ccc(-c2noc(CCc3ccccc3)n2)o1,0,0.0,
+Brc1ccc(-c2noc(COc3ccc4c(c3)CCC4)n2)o1,0,0.0,
+Brc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)s1,0,0.0,
+Brc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1,0,0.0,
+Brc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1,0,0.0,
+Brc1ccc(C2Nc3cccc4cccc(c34)N2)o1,0,0.0,
+Brc1ccc(CSc2ncn[nH]2)cc1,0,0.0,
+Brc1ccc(CSc2ncnc3nc[nH]c23)cc1,0,0.0,
+Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1,0,0.0,
+Brc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1,0,0.0,
+Brc1ccc(CSc2nnc(Cc3c[nH]c4ccccc34)o2)cc1,0,0.0,
+Brc1ccc(NCc2nnc3n2CCCCC3)cc1,0,0.0,
+Brc1ccc(Nc2c3c(nc4ncnn24)CCC3)cc1,0,0.0,
+Brc1ccc(OCCOCCN2CCOCC2)cc1,0,0.0,
+Brc1ccc(OCCn2ccnc2)cc1,0,0.0,
+Brc1ccc(Oc2nnnn2-c2ccccc2)cc1,0,0.0,
+Brc1ccc(Oc2nsnc2N2CCOCC2)cc1,0,0.0,
+Brc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1,0,0.0,
+Brc1ccc2[nH]ncc2c1,0,0.0,
+Brc1ccc2c(c1)C=Nc1c(ncnc1N1CCCCC1)O2,0,0.0,
+Brc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2,0,0.0,
+Brc1ccc2c(c1)CNc1c(ncnc1N1CCOCC1)O2,0,0.0,
+Brc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCOCC1,0,0.0,
+Brc1ccc2nc(CSc3ncn[nH]3)cn2c1,0,0.0,
+Brc1ccc2ncnc(NCc3ccco3)c2c1,0,0.0,
+Brc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1,0,0.0,
+Brc1ccc2oc3c(N4CCOCC4)ncnc3c2c1,0,0.0,
+Brc1cccc(-c2cnc3n2CCCCC3)c1,1,100.0,1.0
+Brc1cccc(-c2n[nH]c(-c3ccccc3)n2)c1,0,0.0,
+Brc1cccc(-c2nc(-c3ccncc3)no2)c1,0,0.0,
+Brc1cccc(-c2nnc(-c3ccccc3)o2)c1,0,0.0,
+Brc1cccc(-c2nnc(SCc3ccon3)n2-c2ccccc2)c1,0,0.0,
+Brc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1,0,0.0,
+Brc1cccc(-c2nnc3n2CCC3)c1,0,0.0,
+Brc1cccc(-c2nnc3n2CCCCC3)c1,0,0.0,
+Brc1cccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)c1,0,0.0,
+Brc1cccc(-c2nnc3sc(CN4CCCCC4)cn23)c1,0,0.0,
+Brc1cccc(-c2nnc3sc(CNC4CCCC4)cn23)c1,0,0.0,
+Brc1cccc(-c2nnc3sc(CNCc4ccco4)cn23)c1,0,0.0,
+Brc1cccc(-c2nnco2)c1,0,0.0,
+Brc1cccc(/C=N\n2cnnc2)c1,0,0.0,
+Brc1cccc(C2CC(c3ccccc3)n3nnnc3N2)c1,0,0.0,
+Brc1ccccc1-c1nc(-c2ccccc2)no1,0,0.0,
+Brc1ccccc1-c1nnc(-c2cccnc2)o1,0,0.0,
+Brc1ccccc1-c1nnc(COc2ncnc3c2cnn3-c2ccccc2)o1,0,0.0,
+Brc1ccccc1-c1nnc(CSc2nnc3sc4ccccc4n23)o1,0,0.0,
+Brc1ccccc1-c1nnc(CSc2nncn2-c2ccccc2)o1,0,0.0,
+Brc1ccccc1-c1nnc(CSc2nnnn2-c2ccccc2)o1,0,0.0,
+Brc1ccccc1-c1nnc2sc(-c3ccc4c(c3)OCCO4)nn12,0,0.0,
+Brc1ccccc1-c1nnc2sc(Cc3ccccc3)nn12,0,0.0,
+Brc1ccccc1C1=Nn2c(nnc2-c2ccccc2)SC1,0,0.0,
+Brc1ccccc1CN1CCC(N2CCCCC2)CC1,0,0.0,
+Brc1ccccc1Cn1c(-c2cncs2)nc2ccccc21,0,0.0,
+Brc1ccccc1OCCCN1CCOCC1,0,0.0,
+Brc1cnc(N2CCCC2)nc1N1CCCCC1,0,0.0,
+Brc1cnc(N2CCCC2)nc1N1CCOCC1,0,0.0,
+Brc1cnc(N2CCOCC2)nc1N1CCCCC1,0,0.0,
+Brc1cnn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1,0,0.0,
+C#CC(C)(C)NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCC,0,0.0,
+C#CC(C)(C)NC(=O)c1ccccc1OC,0,0.0,
+C#CC(C)(CC)NC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1,0,0.0,
+C#CC(C)(CC)NC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+C#CC(CC)(CC)NC(=O)c1c(C)noc1C,0,0.0,
+C#CC(CO)N(CCN(Cc1ccccc1)C(C#C)CO)Cc1ccccc1,0,0.0,
+C#CC1(O)CC(C)N(C)C(C)C1,0,0.0,
+C#CC1(O)CC(C)NCC1(C)CCC#N,0,0.0,
+C#CC1CN(Cc2ccccc2)CC(C#C)N1C,0,0.0,
+C#CCN(C#N)c1nc(NCC)nc(NC(C)C)n1,0,0.0,
+C#CCN(C)C(C)Cc1ccccc1,0,0.0,
+C#CCN(C)Cc1ccccc1,0,0.0,
+C#CCN1C(=O)C(O)(CC(=O)c2cc(OC)ccc2OC)c2ccccc21,0,0.0,
+C#CCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21,0,0.0,
+C#CCN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21,0,0.0,
+C#CCN1C(=O)C2(C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)c2ccccc21,0,0.0,
+C#CCN1C(=O)C2C(C(=O)NC)C3C=CC2(O3)C1C(=O)NCc1ccc(OC)cc1,0,0.0,
+C#CCN1CC(C)/C(=N/O)CC1C,0,0.0,
+C#CCNc1c(C)c(C)nc2ncnn12,0,0.0,
+C#CCNc1cc(C)nc2ncnn12,0,0.0,
+C#CCNc1nc(C(C)C)nc2c1nnn2Cc1ccccc1F,0,0.0,
+C#CCNc1nc(C)nc2c1nnn2Cc1ccccc1F,0,0.0,
+C#CCNc1nc(CC)nc2c1nnn2Cc1ccccc1F,0,0.0,
+C#CCOC(=O)C1C2C=CC(C2)C1C(=O)O,0,0.0,
+C#CCOC(=O)CCC(=O)Nc1cc(OC)nc(OC)n1,0,0.0,
+C#CCOC(=O)c1ccccc1C(=O)N(CC)CC,0,0.0,
+C#CCOC(=O)c1ccccc1C(=O)OCC#C,0,0.0,
+C#CCOC(=O)c1ccccc1C(=O)n1nnc2ccccc21,0,0.0,
+C#CCOc1ccc(Cl)cc1/C=N/O,0,0.0,
+C#CCOc1ccc2c(C)cc(=O)oc2c1,0,0.0,
+C#CCOc1nc(OCC#C)nc(OCC#C)n1,0,0.0,
+C#CCSC1=C(C#N)C(c2cccs2)C(C(=O)OCC)=C(C)N1,0,0.0,
+C#CCSc1nc(-c2cccs2)ccc1C#N,0,0.0,
+C#CCSc1nnc(-c2c[nH]c3ccccc23)n1C,0,0.0,
+C#CCSc1nnc(-c2cccc3ccccc23)o1,0,0.0,
+C#CCSc1nnc(-c2ccccc2)c(=O)[nH]1,0,0.0,
+C#CCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cccc(C)c21,0,0.0,
+C#CCn1c(=NC(=O)CSCC(=O)N2CCOCC2)sc2ccccc21,0,0.0,
+C#CCn1c(=NC(=O)c2cccs2)sc2cccc(OC)c21,0,0.0,
+C#CCn1cc[n+](CC(=O)N(C)C)c1,0,0.0,
+C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,0,0.0,
+C#Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCOCC2)cc1,0,0.0,
+C(#CCN1CCOCC1)COC/C=C/c1ccccc1,0,0.0,
+C(#CCN1CCOCC1)COCC#Cc1ccccc1,0,0.0,
+C(#CCN1CCOCC1)COCc1ccccc1,0,0.0,
+C(#Cc1ccc(C#CCN2CCOCC2)cc1)CN1CCOCC1,0,0.0,
+C(#Cc1ccccc1)CN1CCN(c2ccccn2)CC1,0,0.0,
+C(#Cc1ccccc1)Cn1nnc2ccccc21,0,0.0,
+C(=C/CSc1ncn[nH]1)\CSc1ncn[nH]1,0,0.0,
+C(=C/CSc1nnnn1-c1ccccc1)\CSc1nnnn1-c1ccccc1,0,0.0,
+C(=C/c1ccccc1)\C=N\n1cnnc1,0,0.0,
+C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+C(=C/c1ccccc1)\CN1CCN(Cc2ccc3c(c2)OCCO3)CC1,0,0.0,
+C(=C/c1ccccc1)\CN1CCN(c2ncnc3c2oc2ccccc23)CC1,0,0.0,
+C(=C/c1ccccc1)\CSc1nnc(-c2ccccn2)n1Cc1ccco1,0,0.0,
+C(=C/c1ccccc1)\CSc1nnc(-c2cccnc2)n1Cc1ccco1,0,0.0,
+C(=C/c1ccccc1)\CSc1nnc(-c2cccnc2)o1,0,0.0,
+C(=C/c1ccccc1)\CSc1nnc(-c2ccncc2)n1Cc1ccco1,0,0.0,
+C(=C/c1ccccc1)\CSc1nnc(-c2cnccn2)n1Cc1ccco1,0,0.0,
+C(=C/c1ccco1)\C=N\n1cnnc1,0,0.0,
+C(=N/C(/N=C/c1ccco1)c1ccco1)\c1ccco1,0,0.0,
+C(=N/c1c(-c2ccccc2)nc2n1CCS2)\c1ccccc1,0,0.0,
+C(=N/c1nc2ccccc2[nH]1)\c1cccs1,0,0.0,
+C(=N/c1nc2ccccc2n1CCN1CCCCC1)\c1ccc2c(c1)OCO2,0,0.0,
+C(=N/c1nc2ccccc2n1CCN1CCCCC1)\c1cccs1,0,0.0,
+C(=N/c1nc2ccccc2n1CCN1CCOCC1)\c1cccs1,0,0.0,
+C(=N/c1nc2ccccc2n1Cc1ccccc1)\c1cccs1,0,0.0,
+C(=N/c1nccs1)\Nc1nccs1,0,0.0,
+C(=N/c1nccs1)\c1c[nH]c2ccccc12,0,0.0,
+C(=N/c1nccs1)\c1cccnc1,0,0.0,
+C(=N/n1cncn1)\c1ccc(N2CCOCC2)cc1,0,0.0,
+C(=N/n1cnnc1)\C1CCCCC1,0,0.0,
+C(=N/n1cnnc1)\c1ccc(-c2ccccc2)cc1,1,100.0,0.0
+C(=N/n1cnnc1)\c1ccc(N2CCOCC2)cc1,0,0.0,
+C(=N/n1cnnc1)\c1ccc(N2CCOCC2)s1,0,0.0,
+C(=N/n1cnnc1)\c1ccc(OC2CSC2)cc1,0,0.0,
+C(=N/n1cnnc1)\c1ccc(OCc2ccccc2)cc1,0,0.0,
+C(=N/n1cnnc1)\c1ccc2c(c1)OCCO2,0,0.0,
+C(=N/n1cnnc1)\c1ccc2c(c1)OCO2,0,0.0,
+C(=N/n1cnnc1)\c1ccc2ncccc2c1,0,0.0,
+C(=N/n1cnnc1)\c1cccc(OCCOc2ccccc2)c1,0,0.0,
+C(=N/n1cnnc1)\c1cccc(Oc2ccccc2)c1,0,0.0,
+C(=N/n1cnnc1)\c1cccc2ccccc12,0,0.0,
+C(=N/n1cnnc1)\c1ccccc1OCCOc1ccccc1,0,0.0,
+C(=N/n1cnnc1)\c1ccccn1,0,0.0,
+C(=N/n1cnnc1)\c1cccnc1,0,0.0,
+C(=N/n1cnnc1)\c1cn(-c2cccs2)nc1-c1ccccc1,0,0.0,
+C(=N/n1cnnc1)\c1cn(Cc2ccccc2)c2ccccc12,0,0.0,
+C(=N/n1cnnc1SCc1ccccc1)\c1ccco1,0,0.0,
+C(=NC12CN3CN(CN(C3)C1)C2)c1ccc2c(c1)OCO2,0,0.0,
+C(=NC12CN3CN(CN(C3)C1)C2)c1cccnc1,0,0.0,
+C(=NCCCN1CCOCC1)c1ccc2c(c1)OCO2,0,0.0,
+C(=N\n1c2ccccc2c2ccccc21)\c1ccco1,0,0.0,
+C(\CCc1ccccc1)=N/n1cnnc1,0,0.0,
+C/C(=C(\C#N)C(=O)NC1CCCCC1)N(C)C,0,0.0,
+C/C(=C(\C#N)C(=O)NCCCN1CCOCC1)N(C)C,0,0.0,
+C/C(=C(\C#N)C(=O)NCCN1CCOCC1)N(C)C,0,0.0,
+C/C(=C(\C#N)P(=O)(c1ccccc1)c1ccccc1)N1CCCC1,0,0.0,
+C/C(=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(O)cc1,0,0.0,
+C/C(=C1/SC(N2CC(C)OC(C)C2)=NC1=O)c1ccccc1,0,0.0,
+C/C(=C1/SC(N2CCCC2)=NC1=O)c1ccc(Br)cc1,0,0.0,
+C/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Br)cc1,0,0.0,
+C/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Cl)cc1,0,0.0,
+C/C(=C1\SC(N2CCOCC2)=NC1=O)c1ccc(C)cc1,0,0.0,
+C/C(=C1\SC(N2CCOCC2)=NC1=O)c1ccccc1,0,0.0,
+C/C(=C\C#N)n1nc(C)cc1N,0,0.0,
+C/C(=C\C(=O)Nc1cc(C)on1)c1ccccc1,0,0.0,
+C/C(=C\C(=O)Nc1nccs1)c1ccccc1,0,0.0,
+C/C(=C\C(=O)O)CC(=O)O,0,0.0,
+C/C(=C\C(=O)c1ccc(Br)cc1)N1CCCCC1,0,0.0,
+C/C(=C\C(=O)c1ccc(C)cc1)Nc1cccc(O)c1,0,0.0,
+C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(C(=O)O)cc1C,1,100.0,
+C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc2c(c1)OCO2,0,0.0,
+C/C(=C\C(=O)c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+C/C(=C\C(=O)c1ccccc1)Nc1cccc(O)c1,0,0.0,
+C/C(=C\C(=O)c1cccnc1)Nc1ccc(C)c(C)c1,0,0.0,
+C/C(=C\C(=O)c1ccncc1)Nc1ccccc1O,0,0.0,
+C/C(=C\c1cc(C(=O)O)c(C)o1)CO,0,0.0,
+C/C(=C\c1ccccc1)CN1CCN(c2ccccc2)CC1,0,0.0,
+C/C(=C\c1ccco1)C1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,0,0.0,
+C/C(=C\c1ccco1)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21,0,0.0,
+C/C(=C\c1ccco1)C1Nc2cccc3cccc(c23)N1,0,0.0,
+C/C(=N/n1cnnc1)c1cccnc1,0,0.0,
+C/C(=N\O)C(=O)C(CN1CCCCC1)CN1CCCCC1,0,0.0,
+C/C(=N\O)C(=O)NCC1CCNCC1,0,0.0,
+C/C(=N\O)C(=O)NCCCNCCCN(C)C,0,0.0,
+C/C(=N\O)C(=O)NCCCn1ccnc1,0,0.0,
+C/C(=N\O)C(=O)NCCN1CCCCC1,0,0.0,
+C/C(=N\O)C(=O)NCc1ccccn1,0,0.0,
+C/C(=N\O)C(=O)NCc1ccncc1,0,0.0,
+C/C(=N\O)C(=O)OC1CC(C)CCC1C(C)C,0,0.0,
+C/C(=N\O)C(C)(C)NC(=O)Nc1ccc(Cl)cc1,0,0.0,
+C/C(=N\O)C(C)/[N+]([O-])=C/c1nc(C)c(C)n1O,0,0.0,
+C/C(=N\O)C1(C)N(O)C(C)(C)C(c2ccc(Br)cc2)=[N+]1[O-],0,0.0,
+C/C(=N\O)C1(C)N(O)C(C)(C)C(c2ccco2)=[N+]1[O-],0,0.0,
+C/C(=N\O)C1/C(=N/O)CC2C1C2(C)C,0,0.0,
+C/C(=N\O)c1c(C)c2ccccc2n1C,0,0.0,
+C/C(=N\O)c1cc2ccccc2oc1=O,0,0.0,
+C/C(=N\O)c1ccc2[nH]ccc2c1,0,0.0,
+C/C(=N\O)c1ccc2c3c([nH]c2c1)CCCC3,0,0.0,
+C/C(=N\O)c1ccccc1C(=O)O,0,0.0,
+C/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2ccccc2)C1,0,0.0,
+C/C(=N\n1nnnc1Nc1ccccc1)c1ccc(N)cc1,0,0.0,
+C/C(CC(O)(/C=N/O)c1ccccc1)=N\O,0,0.0,
+C/C(CC(O)c1ccc2ccccc2n1)=N/O,0,0.0,
+C/C(CC1(O)/C(=N/O)CCc2nonc21)=N\O,0,0.0,
+C/C(CC1(O)C(=O)N(C)c2ccccc21)=N\O,0,0.0,
+C/C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)=N\O,0,0.0,
+C/C(CCc1c[nH]c2ccccc12)=N\O,0,0.0,
+C/C(CCc1oc2ccccc2c1-c1ccc(C)o1)=N/O,0,0.0,
+C/C(Cl)=C/CC1(CN2CCCC2=O)C(=O)NC(=O)NC1=O,0,0.0,
+C/C(Cl)=C/CN1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+C/C(Cl)=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C,0,0.0,
+C/C(Cl)=C/Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+C/C(Cl)=C/Cn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C/C(Cl)=C/Cn1c(NCCN(C)C)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C/C(Cl)=C/Cn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C/C(Cl)=C/Cn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C/C(Cl)=C/Cn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C/C(Cl)=C/Cn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C/C(Cl)=C\CNC(C)c1ccccc1,0,0.0,
+C/C(Cl)=C\CSc1nnc2n(N)c(=O)c3ccccc3n12,0,0.0,
+C/C(Cl)=C\Cn1c(=O)c2c(nc3n2CCS3)n(C)c1=O,0,0.0,
+C/C(Cl)=C\Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C/C(Cl)=C\Cn1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C/C(Cl)=C\Cn1c(NCCCn2ccnc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C/C(Cl)=C\Cn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C/C(Cl)=C\Cn1c(Nc2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C/C(Cl)=C\Cn1c(Nc2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C/C(Cl)=C\Cn1c(Nc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C/C(N)=C(/C#N)C(=O)CN1CCCCC1,0,0.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(C)O,0,0.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)C1Cc2ccccc2CN1S(C)(=O)=O,0,0.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)CC1CCCC1,0,0.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)CCSc1ccccc1,0,0.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)COc1ccc(Cl)cc1,0,0.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)CSc1ccccc1,0,0.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C,0,0.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C,0,0.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)c1ccncc1,0,0.0,
+C/C(N)=C(/C#N)C(=O)COc1ncnc2ccc(Br)cc12,0,0.0,
+C/C(N)=C(/C#N)C(=O)COc1ncnc2ccccc12,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1ccc2c(c1)OCCO2,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1n[nH]c(-c2ccccc2Br)n1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nc2cc(Cl)ccc2s1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nc2ccc(C)cc2[nH]1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1ncnc2ccccc12,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(COc2ccccc2Cl)o1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(Cc2ccccc2F)n1N,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(NC(C)C)s1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(Nc2c(C)cccc2C)s1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(Nc2cccc(C)c2C)s1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnnn1-c1ccc(C)cc1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnnn1-c1ccc(C)cc1C,0,0.0,
+C/C(N)=C(\C#N)C(=O)NCCc1ccccn1,0,0.0,
+C/C(N)=C(\C#N)C(=O)NCc1ccccn1,0,0.0,
+C/C(N)=N\S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+C/C(NC(=O)c1ccccc1)=C1/C(=O)CC2C1C2(C)C,0,0.0,
+C/C(NC(=O)c1ccccc1F)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C,0,0.0,
+C/C(NC(=O)c1cccs1)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C,0,0.0,
+C/C(NC1CCCC1)=C(/C#N)C(N)=O,0,0.0,
+C/C(NC1CCCCC1)=C(/C#N)C(=O)NCCN1CCOCC1,0,0.0,
+C/C(NCC(C)(C)CN(C)C)=C(/C#N)C(=O)NCc1ccccc1,0,0.0,
+C/C(NCCCN(C)C)=C(/C#N)C(N)=O,0,0.0,
+C/C(NCCCn1ccnc1)=C(\C#N)C(N)=O,0,0.0,
+C/C(NCCN(C)C)=C(/C#N)C(N)=O,0,0.0,
+C/C(NCCN1CCOCC1)=C(\C#N)C(N)=O,0,0.0,
+C/C(NCc1cccnc1)=C(\C#N)C(=O)NCc1ccccc1,1,100.0,
+C/C(Nc1ccc(F)cc1)=C(/C#N)C(N)=O,0,0.0,
+C/C(Nc1cccc(F)c1)=C(/C#N)C(N)=O,0,0.0,
+C/C(O)=C(/C#N)c1nc2ccccc2[nH]1,0,0.0,
+C/C(O)=C(/N=O)C(=O)Nc1ccccc1,0,0.0,
+C/C(O)=C(\C#N)c1nnc2n1CCCCC2,0,0.0,
+C/C(O)=C\c1nc(=O)c2c(C)cc(C)nc2n1-c1ccccc1,0,0.0,
+C/C(O)=c1/ccc2cccc3nc(C)nc1c23,0,0.0,
+C/C(Sc1nnc(Cc2ccccc2)o1)=C(/O)c1ccccc1,0,0.0,
+C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1,0,0.0,
+C/C=C(\C)CN1CCN(c2cc(C)ccc2C)CC1,0,0.0,
+C/C=C(\C)CN1CCN(c2ccccc2F)CC1,0,0.0,
+C/C=C(\C)CN1CCc2cc(OC)c(OC)cc2C1,0,0.0,
+C/C=C(\C)c1nnc(NC(=O)C(C)C)s1,0,0.0,
+C/C=C(\C)c1nnc(NC(=O)OCC)s1,0,0.0,
+C/C=C(\C)c1nnc(NC(=O)c2ccco2)s1,0,0.0,
+C/C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,0,0.0,
+C/C=C/C=[N+](\[O-])C(C)/C(=N/O)c1ccc(F)cc1,0,0.0,
+C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2,0,0.0,
+C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,0,0.0,
+C/C=C/COc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0,0.0,
+C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C,0,0.0,
+C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC,0,0.0,
+C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1,0,0.0,
+C/C=C/Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C/C=C/Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C/C=C/Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C/C=C/Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C/C=C/Cn1c(SC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C/C=C/Cn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C/C=C/Cn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C/C=C/Cn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C/C=C/Cn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,1,100.0,0.0
+C/C=C/c1ccc(OC)c(OC(C)=O)c1,0,0.0,
+C/C=C/c1ccc(OCCCCN2C(=O)NC(C)(C)C2=O)c(OC)c1,0,0.0,
+C/C=C/c1ccc(OCCCCn2cncn2)c(OC)c1,0,0.0,
+C/C=C/c1ccc(OCCCN2C(=O)NC(C)(C)C2=O)c(OC)c1,0,0.0,
+C/C=C/c1ccc(OCCCNCC(C)O)c(OC)c1,0,0.0,
+C/C=C/c1ccc(OCCCn2cncn2)c(OC)c1,0,0.0,
+C/C=C/c1ccc(OCCSc2nc(C)cc(=O)[nH]2)c(OC)c1,0,0.0,
+C/C=C/c1ccc(OCCn2cncn2)c(OC)c1,0,0.0,
+C/C=C/c1ccc(Oc2nnnn2-c2ccc(C(=O)O)cc2)c(OC)c1,0,0.0,
+C/C=C/c1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)c(OC)c1,0,0.0,
+C/C=C/c1ccccc1OCc1ccc(C(=O)O)o1,0,0.0,
+C/[N+]([O-])=C1\Cc2ccccc2C1=O,0,0.0,
+C1=C(C(c2nnnn2C2CCCCC2)N2CCCCC2)COc2ccccc21,0,0.0,
+C1=C(CCNC2=NCCCCC2)CCCC1,0,0.0,
+C1=C(CCNc2ncnc3c2cnn3-c2ccccc2)CCCC1,0,0.0,
+C1=C(CCNc2ncnc3nc[nH]c23)CCCC1,0,0.0,
+C1=C(CCNc2nnnn2-c2ccccc2)CCCC1,0,0.0,
+C1=C(N2CCOCC2)/C(=C/c2nc3ccccc3[nH]2)CC1,0,0.0,
+C1=C(c2c[nH]c3ccccc23)CCNC1,0,0.0,
+C1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2C1c1ccco1,0,0.0,
+C1=C(c2cccc3ccccc23)N2CCN=C2S1,0,0.0,
+C1=C(c2ccccc2)CCN(c2nc3ccccc3n3cnnc23)C1,0,0.0,
+C1=C(c2ccccc2)CCN(c2ncnc3nc[nH]c23)C1,0,0.0,
+C1=C(c2ccccc2)Nc2nnnn2C1,0,0.0,
+C1=CC2CC1CC2CN1CCN(c2ccccc2)CC1,0,0.0,
+C1=CC2CC1CC2CNCc1ccco1,0,0.0,
+C1=CC2c3ccccc3NC(c3ccncc3)C2C1,0,0.0,
+C1=CCC(/C=N/n2cnnc2)CC1,0,0.0,
+C1=CN2CCC1C(c1ccccc1)C2,1,100.0,
+C1=Nc2c(NCc3ccccc3)ncnc2Oc2ccccc21,0,0.0,
+C1=Nc2c(Nc3ccccc3)ncnc2Oc2ccccc21,0,0.0,
+C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,0,0.0,
+C1CCC(CNc2c3c(nc4nnnn24)CCCC3)CC1,1,100.0,0.0
+C1CCC(Nc2nnnn2C2CCCCC2)CC1,0,0.0,
+C1CCC(OCCN2CCN(CCOC3CCCCC3)CC2)CC1,0,0.0,
+C1CCC(c2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)CC1,0,0.0,
+C1CCC(n2nnnc2CN2CCCC2)CC1,0,0.0,
+C1CCC(n2nnnc2CN2CCN(C3CCCC3)CC2)CC1,0,0.0,
+C1CCC2(CC1)C1=C(CCCC1)Nc1nnnn12,0,0.0,
+C1CCC2(CC1)OCC1(CO2)COC2(CCCCC2)OC1,0,0.0,
+C1CCC2=NCCCN2CC1,0,0.0,
+C1CCCN(CCCCN2CCCCCC2)CC1,0,0.0,
+C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1,0,0.0,
+C1CCN(c2nc(N3CCCCC3)nc(N3CCNCC3)n2)CC1,0,0.0,
+C1CCN(c2nc3nonc3nc2N2CCCC2)C1,0,0.0,
+C1CCN(c2nc3nonc3nc2N2CCCCC2)CC1,0,0.0,
+C1CCN=C(Nc2nc3c(s2)CCCC3)CC1,1,100.0,1.0
+C1CCN=C(Nc2nn[nH]n2)CC1,0,0.0,
+C1CCc2c(nc3nnnn3c2N2CCOCC2)C1,0,0.0,
+C1CCc2c(nnc3c2-c2nonc2CC3)C1,0,0.0,
+C1CCc2nnc(-c3nnc4n3CCCCC4)n2CC1,0,0.0,
+C1CN(c2nc3nonc3n3nnnc23)CCO1,0,0.0,
+C1CN(c2nc3nonc3nc2N2CCOCC2)CCO1,0,0.0,
+C1CNC2NCCNC2N1,0,0.0,
+C1CNCCNCCCNCCNC1,0,0.0,
+C1CNCCNCCNCCN1,0,0.0,
+C1COC(NC(C2CC2)C2CC2)=N1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C#N,0,0.0,
+C1CSC2(N1)C1CC3CC(C1)CC2C3,0,0.0,
+C=C(Br)CN1CCN(CC(=C)Br)CC1,0,0.0,
+C=C(Br)Cn1c(CC(C)C)nc2ccccc21,0,0.0,
+C=C(Br)Cn1c(CCC)nc2ccccc21,0,0.0,
+C=C(Br)Cn1c(CCCC)nc2ccccc21,0,0.0,
+C=C(C)C(C)(C#CCN1CCCC1)OC(C)=O,1,100.0,1.0
+C=C(C)C1CC=C(CN2CCC(C(=O)OCC)CC2)CC1,1,100.0,1.0
+C=C(C)C1CCC(C)=C1CC(C)(C)/C=N\n1cnnc1,0,0.0,
+C=C(C)C1CCC(C)=C1COC(=O)Nc1ccccc1,0,0.0,
+C=C(C)C1Cc2c(C)nn(-c3ccccc3)c2C1,0,0.0,
+C=C(C)C1Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C1,0,0.0,
+C=C(C)C1Cc2nc(N)nc(C)c2C1,0,0.0,
+C=C(C)CC1N(c2cccc(OC)c2)C(=O)C2C(C(=O)O)C3C=CC21O3,0,0.0,
+C=C(C)CC1N(c2cccc(OC)c2)C(=O)[C@@H]2C(C(=O)O)[C@H]3C=C[C@@]12O3,0,0.0,
+C=C(C)CC1Nc2ccccc2NC1CC(=C)C,0,0.0,
+C=C(C)CN(CC)C(=O)CSc1nc2ncc(Cl)cc2[nH]1,0,0.0,
+C=C(C)CN(CC)CCC(=O)Nc1ccc(OC)cc1OC,0,0.0,
+C=C(C)CN(CC)c1nc(N)c(C#N)c(CC#N)c1C#N,0,0.0,
+C=C(C)CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21,0,0.0,
+C=C(C)CN1CCN(c2c(CCC#N)c(C)c(C#N)c3nc4ccccc4n23)CC1,0,0.0,
+C=C(C)CN=c1scc(C)n1/N=C/c1ccco1,0,0.0,
+C=C(C)COc1ccc(-c2[nH]ncc2-c2ccc(OC)c(OC)c2)c(O)c1,0,0.0,
+C=C(C)COc1ccc(-c2[nH]ncc2-c2ccccc2OC)c(O)c1,0,0.0,
+C=C(C)COc1ccc(-c2[nH]ncc2Oc2cccc(OC)c2)c(O)c1,0,0.0,
+C=C(C)COc1ccc(-c2[nH]ncc2Oc2ccccc2OC)c(O)c1,0,0.0,
+C=C(C)COc1ccc(-c2[nH]ncc2Oc2ccccc2OCC)c(O)c1,0,0.0,
+C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1,0,0.0,
+C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccccc2OC)c(O)c1,0,0.0,
+C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OC)c(O)c1,0,0.0,
+C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccc(OC)cc2)c(O)c1,0,0.0,
+C=C(C)COc1ccc(-c2nc(N)ncc2Oc2ccc(OC)cc2)c(O)c1,0,0.0,
+C=C(C)COc1ccc(-c2nc(N)ncc2Oc2ccccc2OC)c(O)c1,0,0.0,
+C=C(C)COc1ccc(-c2nc(N)ncc2Oc2ccccc2OCC)c(O)c1,0,0.0,
+C=C(C)COc1ccc(-c2ncncc2Oc2ccc(OC)cc2)c(O)c1,0,0.0,
+C=C(C)COc1ccc2c(C)c(C)c(=O)oc2c1OCC(=C)C,0,0.0,
+C=C(C)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1C,1,100.0,0.0
+C=C(C)COc1ccc2c3c(c(=O)oc2c1OCC(=C)C)CCC3,0,0.0,
+C=C(C)COc1ccc2oc(C)c(C(=O)OCCOC)c2c1,0,0.0,
+C=C(C)CSC1=C(C#N)C(c2ccccc2)CC(=O)N1,0,0.0,
+C=C(C)CSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1,0,0.0,
+C=C(C)CSC1=C(C#N)C(c2ccsc2)CC(=O)N1,0,0.0,
+C=C(C)CSCc1nc2ccccc2[nH]1,0,0.0,
+C=C(C)CSc1nc(C)c(Cc2ccccc2)c(=O)[nH]1,0,0.0,
+C=C(C)CSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N,0,0.0,
+C=C(C)CSc1nc(N)c2c(C)c(C)sc2n1,0,0.0,
+C=C(C)CSc1nc(N)c2c3c(sc2n1)CCC3,0,0.0,
+C=C(C)CSc1nc(N)cc(=O)[nH]1,0,0.0,
+C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,0,0.0,
+C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1,0,0.0,
+C=C(C)CSc1nc2c(cc1C#N)CCC2,0,0.0,
+C=C(C)CSc1nc2nc(C)cc(C)n2n1,0,0.0,
+C=C(C)CSc1nc2ncccc2[nH]1,0,0.0,
+C=C(C)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N,0,0.0,
+C=C(C)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N,0,0.0,
+C=C(C)CSc1nnc(-c2cccc(Cl)c2)n1N,0,0.0,
+C=C(C)CSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cc(OC)ccc1OC,0,0.0,
+C=C(C)CSc1nnc(-c2ccccc2)n1N,0,0.0,
+C=C(C)CSc1nnc(CCNC(=O)OC(C)(C)C)o1,0,0.0,
+C=C(C)CSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1,0,0.0,
+C=C(C)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)CC)o1,0,0.0,
+C=C(C)CSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1,0,0.0,
+C=C(C)CSc1nnc([C@H](CCSC)NC(=O)OC(C)(C)C)o1,0,0.0,
+C=C(C)CSc1nnc2[nH]c(=O)cc(N)n12,0,0.0,
+C=C(C)CSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCC4,0,0.0,
+C=C(C)CSc1nncn1/N=C/c1ccc(OC)cc1,0,0.0,
+C=C(C)Cn1c(-c2ccc(OC)cc2)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(-c2ccccc2)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=S)CCC2,0,0.0,
+C=C(C)Cn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2C)n(C)c1=O,0,0.0,
+C=C(C)Cn1c(C(C)NC(=O)CCC)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(C2CC(=O)N(c3ccccc3F)C2)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(CCCNC(=O)CC)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(CCCNC(=O)CCC)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(CCNC(=O)C(C)C)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(CCNC(=O)CC)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(CCNC(=O)CCC)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(CNC(C)=O)nc2ccccc21,0,0.0,
+C=C(C)Cn1c(COc2ccccc2)nnc1SCC(=O)O,0,0.0,
+C=C(C)Cn1c(N(CCO)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=C(C)Cn1c(N2CC(C)CC(C)C2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=C(C)Cn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=C(C)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C,1,100.0,0.0
+C=C(C)Cn1c(N2CCN(CC)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=C(C)Cn1c(NCCC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C=C(C)Cn1c(NCCOC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=C(C)Cn1c(SCC#N)nc2ccccc2c1=O,0,0.0,
+C=C(C)Cn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCC3,0,0.0,
+C=C(C)Cn1c(SCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=C(C)Cn1c(SCC(=O)O)nnc1-c1ccc(C(C)(C)C)cc1,0,0.0,
+C=C(C)Cn1c(SCC)nc2ccccc2c1=O,1,100.0,0.0
+C=C(C)Cn1c(SCCCO)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=C(C)Cn1c(Sc2nc3ccccc3[nH]2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=C(C)Cn1c(Sc2nnc(C)s2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=C(C)c1ccc(C(C)(C)NC(=O)N2CCN(C)CC2)cc1,0,0.0,
+C=C(C)c1ccc(C(C)(C)NC(=O)NCc2ccco2)cc1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC(C(N)=O)C2)c1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(C)CC2)c1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(CC(N)=O)CC2)c1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(CC)CC2)c1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccn3)CC2)c1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ncccn3)CC2)c1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)N2CCOCC2)c1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)NCC2CCCO2)c1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)NCCCN2CCCC2=O)c1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)NCCCn2ccnc2)c1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccn2)c1,0,0.0,
+C=C(C)c1cccc(C(C)(C)NC(=O)Nn2cnnc2)c1,0,0.0,
+C=C(C)c1nc(N)nc(N)n1,0,0.0,
+C=C(C)n1c(=O)[nH]c2ccccc21,0,0.0,
+C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,0,0.0,
+C=C(Cl)COC(=O)[C@H]1C2C=CC(C2)C1C(=O)O,0,0.0,
+C=C(Cl)COc1ccc2c(C)cc(=O)oc2c1,0,0.0,
+C=C(Cl)COc1ccc2c(CC)cc(=O)oc2c1,0,0.0,
+C=C(c1ccc(O)cc1)c1ccc(O)cc1,0,0.0,
+C=C(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1,0,0.0,
+C=C(c1cccc2ccccc12)P(=O)(O)O,0,0.0,
+C=C1C(C(=O)N2CCN(C)CC2)C1C(=O)N1CCN(C)CC1,0,0.0,
+C=C1C(C(=O)N2CCOCC2)C1C(=O)N1CCOCC1,0,0.0,
+C=C1C2(C(=O)NCc3ccco3)CCC(C2)C1(C)C,0,0.0,
+C=C1C2(C(=O)Nc3nccs3)CCC(C2)C1(C)C,0,0.0,
+C=C1CC(C)OC(c2ccccc2OCC(O)CN2CCCCC2)C1,0,0.0,
+C=C1CC2C=C(NC(C)=O)CC(C1)C2,0,0.0,
+C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0,0.0,
+C=C1CSc2nc(=O)c3c(C)c(C)sc3n21,0,0.0,
+C=C1CSc2nc(=O)c3c4c(sc3n21)CCC4,0,0.0,
+C=C1CSc2nc(=O)c3c4c(sc3n21)CCCC4,0,0.0,
+C=C1Cn2c(nnc2-c2ccc(Cl)cc2)S1,0,0.0,
+C=C1N2CCC(CC2)C1(O)c1ccccc1C,0,0.0,
+C=C1[C@@H](C)C2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@H](O)CCC[C@H](C)C/C=C/[C@H]3[C@@H]1O,0,0.0,
+C=C1c2cc(CC)ccc2NC(=O)N1c1ccc(C)cc1,0,0.0,
+C=C1c2cc(OC)ccc2NC(=O)N1CC,0,0.0,
+C=C1c2ccc(C)cc2NC(=O)N1c1ccccc1,0,0.0,
+C=CC(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl,1,100.0,0.0
+C=CC(C)n1c(Br)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CC(O)(C#CCN(CC)CC)c1ccccc1,0,0.0,
+C=CC(O)Cc1c(C)n[nH]c1C,0,0.0,
+C=CC1C(N2CCOCC2)C(C)(C)S1(=O)=O,0,0.0,
+C=CCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+C=CCC(C#Cc1ccccc1)N(C)C,0,0.0,
+C=CCC(CC=C)(C(=O)O)c1ccccc1,0,0.0,
+C=CCC(NCCCO)c1cccc(OC)c1OC,0,0.0,
+C=CCC(NCc1ccccc1)c1ccco1,0,0.0,
+C=CCC(NCc1ccco1)c1ccc(OC)cc1OC,0,0.0,
+C=CCC(Nc1ccco1)c1ccccc1,0,0.0,
+C=CCC(O)(CCN1CCCCC1)c1ccccc1,1,100.0,1.0
+C=CCC1(CN2CCCCCC2=O)C(=O)NC(=O)NC1=O,0,0.0,
+C=CCC1(O)C(=O)N2C(=C1C(=O)N1CCOCC1)c1ccccc1CC2(C)C,0,0.0,
+C=CCC1(O)C(=O)Nc2ccccc21,0,0.0,
+C=CCC1CCCCC12NC(=O)NC2=O,0,0.0,
+C=CCC1c2cccc(C(=O)O)c2C(=O)N1c1ccc(F)cc1,0,0.0,
+C=CCC1c2cccc(C(=O)O)c2C(=O)N1c1cccc(C)c1,0,0.0,
+C=CCCC(=O)Nc1ccc(COC(=O)N2CCOCC2)cc1,0,0.0,
+C=CCCCOc1ccc(C(=O)O)cc1,0,0.0,
+C=CCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC(C)(C)C)c1cccc(OC)c1OC,0,0.0,
+C=CCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC1CCCC1)c1cccnc1,0,0.0,
+C=CCN(C(=O)CCC(=O)O)C1CC(=O)N(c2ccc(OC)cc2)C1=O,0,0.0,
+C=CCN(C(=O)CCC(=O)O)C1CC(=O)N(c2ccc(OCCC)cc2)C1=O,0,0.0,
+C=CCN(C(=O)CN1CCOCC1)c1nc(C)c(-c2ccccc2)s1,0,0.0,
+C=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1,0,0.0,
+C=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1OC,0,0.0,
+C=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccccc1,0,0.0,
+C=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccccc1F,0,0.0,
+C=CCN(C(=O)CNS(=O)(=O)c1ccccc1)C(C(=O)NCCOC)c1ccncc1,0,0.0,
+C=CCN(C(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1OC)c1ccccc1,0,0.0,
+C=CCN(C(=O)Cn1c(C(=O)OC)cc2oc(C)cc21)c1ccccc1,0,0.0,
+C=CCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccc(OC)cc1OC,0,0.0,
+C=CCN(C(=O)Nc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O,0,0.0,
+C=CCN(C(=O)Nc1ccc(F)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O,0,0.0,
+C=CCN(C(=O)Nc1ccccc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O,0,0.0,
+C=CCN(C(=O)c1ccccc1)c1ccc(OC)cc1,0,0.0,
+C=CCN(C)CCCNC(=O)/C=N/O,0,0.0,
+C=CCN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C,1,100.0,0.0
+C=CCN(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1,0,0.0,
+C=CCN(CC(=O)NCc1ccc(OC)cc1)C(=O)c1csnn1,0,0.0,
+C=CCN(CC(=O)NCc1ccccc1)C(=O)c1csnn1,0,0.0,
+C=CCN(CC=C)C(=O)C1CC(=O)N(c2ccc(Br)cc2)C1,0,0.0,
+C=CCN(CC=C)C(=O)C1CCC(C(=O)N(CC=C)CC=C)CC1,0,0.0,
+C=CCN(CC=C)C(=O)CCC(=O)N(CC=C)CC=C,0,0.0,
+C=CCN(CC=C)C(=O)CCCC(=O)N(CC=C)CC=C,0,0.0,
+C=CCN(CC=C)C(=O)CCCCC(=O)N(CC=C)CC=C,0,0.0,
+C=CCN(CC=C)C(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+C=CCN(CC=C)C(=O)Cc1ccc(F)cc1,0,0.0,
+C=CCN(CC=C)C(=O)Nc1cc(Cl)ccc1OC,0,0.0,
+C=CCN(CC=C)C(=O)c1ccncc1,0,0.0,
+C=CCN(CC=C)Cc1c[nH]c2ccccc12,0,0.0,
+C=CCN(CC=C)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1,1,100.0,
+C=CCN(CC=C)S(=O)(=O)c1ccc2nsnc2c1,0,0.0,
+C=CCN(CC=C)S(=O)(=O)c1ncn[nH]1,0,0.0,
+C=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)C,0,0.0,
+C=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OCCOC,0,0.0,
+C=CCN(Cc1cc(OC)ccc1OC)S(=O)(=O)N(C)C,0,0.0,
+C=CCN(c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)S(C)(=O)=O,0,0.0,
+C=CCN(c1ccc(C(N)=O)cc1)S(C)(=O)=O,0,0.0,
+C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+C=CCN1C(=NC(=O)CCCC(=O)O)SC2CS(=O)(=O)CC21,0,0.0,
+C=CCN1C(=Nc2ccccc2)SC/C1=C\C(=O)OC,0,0.0,
+C=CCN1C(=Nc2cccnc2)SCC1(O)c1ccc(C)cc1,1,100.0,1.0
+C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1c(C)n[nH]c1C,0,0.0,
+C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CCCS(=O)(=O)O)SC1=S.c1ccncc1,0,0.0,
+C=CCN1C(=O)/C(=C2\SC(N3CCOCC3)=NC2=O)c2cc(Br)ccc21,0,0.0,
+C=CCN1C(=O)/C(=N/n2cnnc2)c2ccccc21,0,0.0,
+C=CCN1C(=O)C(C)(C)N(C(C)=O)c2ccccc21,0,0.0,
+C=CCN1C(=O)C(C)(C)Nc2ccccc21,0,0.0,
+C=CCN1C(=O)C(CC(=O)NCC)SC1=Nc1ccc(S(N)(=O)=O)cc1,0,0.0,
+C=CCN1C(=O)C(CC(=O)O)SC1=Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+C=CCN1C(=O)C(O)(CC(=O)c2c(C)n[nH]c2C)c2cc(Br)ccc21,0,0.0,
+C=CCN1C(=O)C(O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21,0,0.0,
+C=CCN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21,0,0.0,
+C=CCN1C(=O)C(O)(CC(=O)c2ccc(N)cc2)c2ccccc21,0,0.0,
+C=CCN1C(=O)C(O)(CC(=O)c2ccc(OC)cc2OC)c2cc(Br)ccc21,0,0.0,
+C=CCN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21,0,0.0,
+C=CCN1C(=O)C2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c2ccccc21,0,0.0,
+C=CCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(CCC)c32)c2ccccc21,0,0.0,
+C=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21,0,0.0,
+C=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3ccccc32)C2=C1CCCC2=O,0,0.0,
+C=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3ccccc32)c2c1c1ccccc1oc2=O,0,0.0,
+C=CCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21,0,0.0,
+C=CCN1C(=O)C2(c3ccccc31)C1CCCC=C1C(C#N)=C(N)C2(C#N)C#N,0,0.0,
+C=CCN1C(=O)C2C(C(=O)NC)C3(C)C=CC2(O3)C1C(=O)NCc1ccc(OC)cc1,0,0.0,
+C=CCN1C(=O)C2C(C(=O)NC)C3C=CC2(O3)C1C(=O)NCc1ccc(OC)cc1,0,0.0,
+C=CCN1C(=O)C2C(C(=O)NC3CCCCC3)C3C=CC2(O3)C1C(=O)NC1CCCC1,0,0.0,
+C=CCN1C(=O)C2C(C(=O)NCc3ccccc3)C3(C)C=CC2(O3)C1C(=O)NC(C)(C)C,0,0.0,
+C=CCN1C(=O)C2C(C(=O)NCc3ccccc3)C3C=CC2(O3)C1C(=O)NC(C)(C)C,0,0.0,
+C=CCN1C(=O)CC(C(=O)NC)SC1=Nc1ccc(C(=O)OCC)cc1,0,0.0,
+C=CCN1C(=O)CN=C1NCc1ccccc1,0,0.0,
+C=CCN1C(=O)CN=C1Nc1cc(C)cc(C)c1,0,0.0,
+C=CCN1C(=O)CN=C1Nc1cc(C)ccc1C,0,0.0,
+C=CCN1C(=O)CN=C1Nc1ccc(OC)cc1OC,0,0.0,
+C=CCN1C(=O)CN=C1Nc1cccc(C)c1,0,0.0,
+C=CCN1C(=O)CS/C1=C(\C#N)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+C=CCN1C(=O)CS/C1=N/c1nccs1,0,0.0,
+C=CCN1C(=O)CSC1=Nc1cccc(O)c1,0,0.0,
+C=CCN1C(=O)CSc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21,0,0.0,
+C=CCN1C(=O)CSc2ccc(C(=O)NCc3ccco3)cc21,0,0.0,
+C=CCN1C(=O)CSc2ccc(C(=O)OCC)cc21,0,0.0,
+C=CCN1C(=O)N(/C=C/C)c2cccc3cccc1c23,0,0.0,
+C=CCN1C(=O)NC(=O)C(Cc2ccc(OC)c(OC)c2)C1=O,0,0.0,
+C=CCN1C(=O)NC2(CCCCC2)C1=O,0,0.0,
+C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCN(C)CC3)cc21,0,0.0,
+C=CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(O)c(OC)c1,0,0.0,
+C=CCN1C(c2ccc(OCC)cc2)=CS/C1=C(\C#N)c1nnc2n1CCCCC2,0,0.0,
+C=CCN1C(c2ccccc2)=CS/C1=C(\C#N)c1nnc2n1CCCCC2,0,0.0,
+C=CCN1C2CCCC1CC(NC(=O)Nc1cccc(C(C)=O)c1)C2,0,0.0,
+C=CCN1CC(O)=C(c2ccccc2)C1=N,0,0.0,
+C=CCN1CC(c2nc3ccccc3n2CCOc2ccccc2)CC1=O,0,0.0,
+C=CCN1CC2CC3(COc4cc(C)cc(C)c4)C=CC2(O3)C1=O,0,0.0,
+C=CCN1CCN(C(CC(C)C)c2nnnn2CCOC)CC1,0,0.0,
+C=CCN1CCN(C(c2cc(OC)ccc2OC)c2nnnn2CC2CCCO2)CC1,0,0.0,
+C=CCN1CCN(C(c2ccc(Cl)cc2)c2nnnn2CCc2ccc(OC)c(OC)c2)CC1,0,0.0,
+C=CCN1CCN(C(c2ccc(OC)c(OC)c2)c2nnnn2C(C)(C)C)CC1,0,0.0,
+C=CCN1CCN(C(c2ccccc2)c2nnnn2CCC(C)C)CC1,0,0.0,
+C=CCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,0,0.0,
+C=CCN=C(C)C1=C(O)CCC1=O,0,0.0,
+C=CCN=C(CC)C1=C(O)CCCC1=O,0,0.0,
+C=CCN=C(NC#N)SCC(=O)NC(C)(C)C,0,0.0,
+C=CCN=C(NC#N)SCC(=O)NCc1ccccc1,0,0.0,
+C=CCN=C(NC#N)SCC(=O)c1cccc(OC)c1,0,0.0,
+C=CCN=C(NC#N)SCCc1ccccc1,0,0.0,
+C=CCN=C(NC#N)SCc1ccccc1Cl,0,0.0,
+C=CCN=C1CC(C)(C)CC(=O)/C1=C(/O)CCC(=O)OC,0,0.0,
+C=CCN=C1SC(C)C(=O)N1S(=O)(=O)c1ccccc1,0,0.0,
+C=CCN=C1SCC(=O)N1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+C=CCN=C1SCC(=O)N1S(=O)(=O)c1ccccc1,0,0.0,
+C=CCN=c1sc(C(=O)OC)cc(=O)n1CC=C,0,0.0,
+C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCCC1,1,100.0,0.0
+C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,0,0.0,
+C=CCNC(=O)C(C)N1C(=O)c2ccccc2C1=O,0,0.0,
+C=CCNC(=O)C(C)Sc1ccc(Cl)cc1,0,0.0,
+C=CCNC(=O)C12CC3CC(C1)CC(C(=O)NCC=C)(C3)C2,0,0.0,
+C=CCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1,0,0.0,
+C=CCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,0,0.0,
+C=CCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1,0,0.0,
+C=CCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1,0,0.0,
+C=CCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)C1,0,0.0,
+C=CCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)C1,0,0.0,
+C=CCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3)cc2)C1,0,0.0,
+C=CCNC(=O)C1CC(c2cccc(OC)c2)=NO1,0,0.0,
+C=CCNC(=O)C1CCCN(S(C)(=O)=O)C1,0,0.0,
+C=CCNC(=O)C1CCN(S(=O)(=O)CC)CC1,0,0.0,
+C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,0,0.0,
+C=CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+C=CCNC(=O)C1CCN(S(C)(=O)=O)CC1,0,0.0,
+C=CCNC(=O)C1CCN(c2nc(C)cc(-c3ccccc3)n2)CC1,0,0.0,
+C=CCNC(=O)CC(C)C(CCCCC)C(=O)O,0,0.0,
+C=CCNC(=O)CCCC(=O)NCC=C,0,0.0,
+C=CCNC(=O)CCCCC(=O)NCC=C,0,0.0,
+C=CCNC(=O)CCCCCNS(=O)(=O)c1ccc(OC)cc1,0,0.0,
+C=CCNC(=O)CCCOc1cc(C)ccc1C,0,0.0,
+C=CCNC(=O)CCCOc1cccc(C)c1,0,0.0,
+C=CCNC(=O)CCCc1ccccc1,0,0.0,
+C=CCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1,0,0.0,
+C=CCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O,0,0.0,
+C=CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1,0,0.0,
+C=CCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O,0,0.0,
+C=CCNC(=O)CN1CCC(O)(c2ccc(F)cc2)CC1,0,0.0,
+C=CCNC(=O)CN1CCC(O)(c2ccccc2)CC1,0,0.0,
+C=CCNC(=O)CNS(=O)(=O)c1ccc(F)cc1,0,0.0,
+C=CCNC(=O)COc1ccc(Br)cc1Cl,0,0.0,
+C=CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1,0,0.0,
+C=CCNC(=O)CSc1ccc(Cl)cc1,0,0.0,
+C=CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0.0,
+C=CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,0,0.0,
+C=CCNC(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2[nH]1,0,0.0,
+C=CCNC(=O)NC(=O)COC(=O)COc1ccc(Br)cc1F,0,0.0,
+C=CCNC(=O)NC(=S)c1ccccc1,0,0.0,
+C=CCNC(=O)NS(=O)(=O)c1ccc(C)cc1,0,0.0,
+C=CCNC(=O)N[C@@H](CCSC)C(=O)OC,0,0.0,
+C=CCNC(=O)Nc1ccc(OCC)cc1,0,0.0,
+C=CCNC(=O)Nc1ccc2oc(C)nc2c1,0,0.0,
+C=CCNC(=O)c1c(Cl)cccc1Cl,0,0.0,
+C=CCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12,0,0.0,
+C=CCNC(=O)c1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12,0,0.0,
+C=CCNC(=O)c1cc(-c2ccc(Br)cc2)on1,0,0.0,
+C=CCNC(=O)c1cc(-c2ccccc2O)on1,0,0.0,
+C=CCNC(=O)c1cc(=O)c2ccccc2o1,0,0.0,
+C=CCNC(=O)c1ccc(C(=O)c2ccccc2)cc1,0,0.0,
+C=CCNC(=O)c1ccc(C)c(Br)c1,0,0.0,
+C=CCNC(=O)c1ccc(Cl)cc1Cl,0,0.0,
+C=CCNC(=O)c1ccc(OC)cc1OC,0,0.0,
+C=CCNC(=O)c1ccc2c(c1)nnn2C,0,0.0,
+C=CCNC(=O)c1cccc(Br)c1,0,0.0,
+C=CCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1,0,0.0,
+C=CCNC(=O)c1ccccc1NC(=O)Nc1ccccc1,0,0.0,
+C=CCNC(=O)c1ccccc1NC(=O)c1cccc(C)c1,0,0.0,
+C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1,0,0.0,
+C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)cc1,0,0.0,
+C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1,0,0.0,
+C=CCNC(=O)c1ccncc1,0,0.0,
+C=CCNC(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+C=CCNC(=O)c1nn2cccnc2c1Cl,0,0.0,
+C=CCNC(=O)c1oc2ccc(S(=O)(=O)N(CC)CC)cc2c1C,0,0.0,
+C=CCNC(=O)c1sc(=S)n(-c2ccc(C(=O)OCC)cc2)c1N,0,0.0,
+C=CCNC(=O)c1scc2c1CCCC2,0,0.0,
+C=CCNC(NC(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F,0,0.0,
+C=CCNC1=C(Cl)C(=O)N(c2ccccc2Cl)C1=O,0,0.0,
+C=CCNCc1cccn1-c1ccccc1,0,0.0,
+C=CCNS(=O)(=O)c1ccc(OC)c(C)c1,0,0.0,
+C=CCNS(=O)(=O)c1ccc(OCC(=O)OC)cc1,0,0.0,
+C=CCNS(=O)(=O)c1ccc(OCC(=O)OCC)cc1,0,0.0,
+C=CCNS(=O)(=O)c1ccc2nsnc2c1,0,0.0,
+C=CCNS(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12,0,0.0,
+C=CCNS(=O)(=O)c1sccc1/C=N/O,0,0.0,
+C=CCNc1ccc(F)c(F)c1N1CCCCCC1=O,0,0.0,
+C=CCNc1nc(-c2c(C)nc3sccn23)cs1,0,0.0,
+C=CCNc1nc(-c2ccc(O)c(C(N)=O)c2)cs1,0,0.0,
+C=CCNc1nc(-c2ccc(OC)cc2OC)cs1,0,0.0,
+C=CCNc1nc(-c2cccc(OC)c2O)nc2ccccc12,0,0.0,
+C=CCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1,0,0.0,
+C=CCNc1nc(C)nc(OC)n1,0,0.0,
+C=CCNc1nc(C2(C)CC3(CC(C)(C)OC3=O)C(=O)O2)cs1,0,0.0,
+C=CCNc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1,0,0.0,
+C=CCNc1nc(N)c(C(=O)Nc2cc(C)on2)s1,0,0.0,
+C=CCNc1nc(N)c(C(=O)c2ccc3c(c2)OCO3)s1,0,0.0,
+C=CCNc1nc(N2CCCC2)nc2ccccc12,1,100.0,0.0
+C=CCNc1nc(N2CCCCC2)c(C#N)c2c1CN(Cc1ccccc1)CC2,0,0.0,
+C=CCNc1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2,0,0.0,
+C=CCNc1nc(NCCN2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+C=CCNc1nc(NCCN2CCOCC2)nc(OC)n1,0,0.0,
+C=CCNc1nc(NCCO)nc(N2CCCC2)n1,0,0.0,
+C=CCNc1nc(NCc2ccccc2)c(C#N)c2c1CN(C)CC2,0,0.0,
+C=CCNc1nc(NCc2ccco2)nc(OCC)n1,0,0.0,
+C=CCNc1nc(Nc2ccc(OC)cc2OC)nc(OCC)n1,0,0.0,
+C=CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCC,0,0.0,
+C=CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1,0,0.0,
+C=CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC,0,0.0,
+C=CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=C)C,0,0.0,
+C=CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCCC,0,0.0,
+C=CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1,0,0.0,
+C=CCNc1nc2c3ccccc3n(C(C)=O)c2s1,0,0.0,
+C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1,0,0.0,
+C=CCNc1ncnc2c1[nH]c1ccc(C)cc12,0,0.0,
+C=CCNc1ncnc2c1[nH]c1ccccc12,0,0.0,
+C=CCNc1ncnc2c1cnn2-c1ccc(C)cc1C,0,0.0,
+C=CCNc1ncnc2c1cnn2-c1ccc(Cl)cc1,0,0.0,
+C=CCNc1ncnc2c1cnn2-c1ccc(OC)cc1,0,0.0,
+C=CCNc1ncnc2c1cnn2-c1cccc(C)c1,0,0.0,
+C=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O,0,0.0,
+C=CCNc1ncnc2ccccc12,0,0.0,
+C=CCNc1nnc(C)c2ccccc12,0,0.0,
+C=CCNc1nnc(SC2CC(=O)N(c3ccc(OC)cc3)C2=O)s1,0,0.0,
+C=CCNc1nnc(SCC(=O)N2CCCCC2)c2ccccc12,0,0.0,
+C=CCNc1oc(-c2ccc(OC)cc2)nc1C#N,0,0.0,
+C=CCNc1oc(-c2ccc(OCC)cc2)nc1C#N,0,0.0,
+C=CCNc1oc(-c2cccc3ccccc23)nc1C#N,0,0.0,
+C=CCNc1oc(COc2ccc(C)cc2)nc1C#N,0,0.0,
+C=CCNc1oc(Cc2cccc3ccccc23)nc1C#N,0,0.0,
+C=CCNc1sc(C(=O)C(C)(C)C)c(N)c1C#N,0,0.0,
+C=CCNc1sc(C(=O)C2CC2)c(N)c1C#N,0,0.0,
+C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(C(=O)OCC)CC1,0,0.0,
+C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,0,0.0,
+C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,0,0.0,
+C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2OC)CC1,0,0.0,
+C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2OCC)CC1,0,0.0,
+C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(OC(=O)c2ccco2)cc1,0,0.0,
+C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccs1,0,0.0,
+C=CCOC(=O)C1=C(C)NC(=O)NC1/C=C/c1ccccc1,0,0.0,
+C=CCOC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1,0,0.0,
+C=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1,0,0.0,
+C=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(=O)c2ccco2)c(OC)c1,0,0.0,
+C=CCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1,0,0.0,
+C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(O)cc1,0,0.0,
+C=CCOC(=O)C1=C(C)NC(SC)=C(C#N)C1c1ccc(OCC)cc1,0,0.0,
+C=CCOC(=O)C1=C(C)NC(SCC(=O)N(CC)CC)=C(C#N)C1c1ccccc1,0,0.0,
+C=CCOC(=O)C1=C(C)NC(SCC(=O)N(CC)CC)=C(C#N)C1c1ccco1,0,0.0,
+C=CCOC(=O)C1=C(C)NC(SCC(=O)NC(=O)OCC)=C(C#N)C1c1cccnc1,0,0.0,
+C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)C1c1ccco1,0,0.0,
+C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)C1c1ccc(O)c(OC)c1,0,0.0,
+C=CCOC(=O)C1=C(C)NC2(O)c3ccccc3C(=O)C12O,0,0.0,
+C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccncc1,0,0.0,
+C=CCOC(=O)C1=C(C)Nc2ncnn2C1c1cc(Br)ccc1F,0,0.0,
+C=CCOC(=O)C1=C(C)Nc2nnnn2C1c1cc(OC)ccc1OC,0,0.0,
+C=CCOC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1OC,0,0.0,
+C=CCOC(=O)C1=C(C)Nc2sc(C#N)c(N)c2C1c1ccco1,0,0.0,
+C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C12C(=O)N(CN1CCOCC1)c1ccccc12,0,0.0,
+C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccccc2)c1Cl,0,0.0,
+C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(F)cc1,0,0.0,
+C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc2c(c1)OCO2,0,0.0,
+C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccccc1F,0,0.0,
+C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1,0,0.0,
+C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(CC(N)=O)c1ccccc12,0,0.0,
+C=CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C12C(=O)N(CC(N)=O)c1ccccc12,0,0.0,
+C=CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC=C)C1c1ccc(OC)cc1,0,0.0,
+C=CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC=C)C1c1ccc(OCC)cc1,0,0.0,
+C=CCOC(=O)C1CC=CCC1C(=O)Oc1ccc(F)cc1F,0,0.0,
+C=CCOC(=O)CC(NC(=O)c1ccccc1)c1ccccc1,0,0.0,
+C=CCOC(=O)CCC(=O)Nc1cc(OC)nc(OC)n1,0,0.0,
+C=CCOC(=O)CCCC(=O)NC1CCCCC1,0,0.0,
+C=CCOC(=O)CCP(=O)(CCC(=O)OCC=C)c1ccccc1,0,0.0,
+C=CCOC(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+C=CCOC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3,0,0.0,
+C=CCOC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1,1,100.0,0.0
+C=CCOC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C,0,0.0,
+C=CCOC(=O)COc1ccc2c(C)c(CC)c(=O)oc2c1,0,0.0,
+C=CCOC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+C=CCOC(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12,0,0.0,
+C=CCOC(=O)Nc1c(C(=O)OC)[nH]c2ccccc12,0,0.0,
+C=CCOC(=O)Nc1ccc(Cl)cc1NC(=O)OCC=C,1,100.0,0.0
+C=CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2,0,0.0,
+C=CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,0,0.0,
+C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)nc1C,0,0.0,
+C=CCOC(=O)c1sc(NC(=O)c2ccco2)nc1C,0,0.0,
+C=CCOc1c(Br)cc(CNn2nnnc2N)cc1OC,0,0.0,
+C=CCOc1c(CNc2nccs2)cccc1OCC,0,0.0,
+C=CCOc1c(Cl)cc(/C=N/O)cc1OC,0,0.0,
+C=CCOc1c(Cl)cc(C2NC(=O)NC(C)=C2C(=O)OC)cc1Cl,0,0.0,
+C=CCOc1c(OC)cc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O,0,0.0,
+C=CCOc1ccc(/C(CC)=N/O)c(OC)c1,0,0.0,
+C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccc(OC)cc2)cc1,0,0.0,
+C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccccc2)cc1,0,0.0,
+C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2cccs2)cc1,0,0.0,
+C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccc(C)cc2)cc1,0,0.0,
+C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCOC)C2c2ccc(O)c(OC)c2)cc1,0,0.0,
+C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCOC)C2c2ccncc2)cc1,0,0.0,
+C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccs2)cc1,0,0.0,
+C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCOC)C2c2cccnc2)cc1,0,0.0,
+C=CCOc1ccc(/C=C/C(C)=N\O)cc1,0,0.0,
+C=CCOc1ccc(/C=N/n2cncn2)cc1OC,0,0.0,
+C=CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+C=CCOc1ccc(C2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1,0,0.0,
+C=CCOc1ccc(C2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1,0,0.0,
+C=CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(CC)CC)cc1,0,0.0,
+C=CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1,0,0.0,
+C=CCOc1ccc(C2N3CC4(C)CN2CC(CCC)(C3)C4=O)cc1,0,0.0,
+C=CCOc1ccc(C2N3CC4(CC)CN2CC(CC)(C3)C4=O)cc1,0,0.0,
+C=CCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OC)cc1,0,0.0,
+C=CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,0,0.0,
+C=CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OCC,0,0.0,
+C=CCOc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1,0,0.0,
+C=CCOc1ccc(CN(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1,0,0.0,
+C=CCOc1ccc(CNc2nn[nH]n2)cc1,0,0.0,
+C=CCOc1ccc(Cl)cc1C(=O)O,0,0.0,
+C=CCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,0,0.0,
+C=CCOc1ccc2c(c1)c(S(=O)(=O)c1ccc(C)cc1)cn2COC,0,0.0,
+C=CCOc1ccc2ccccc2c1CNc1ncn[nH]1,0,0.0,
+C=CCOc1cccc(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1,0,0.0,
+C=CCOc1cccc(C2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1,0,0.0,
+C=CCOc1cccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1,0,0.0,
+C=CCOc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)c1,0,0.0,
+C=CCOc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1,0,0.0,
+C=CCOc1cccc(C2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1,0,0.0,
+C=CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1,0,0.0,
+C=CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1,0,0.0,
+C=CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1,0,0.0,
+C=CCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(CC)CC)c1,0,0.0,
+C=CCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)c1,0,0.0,
+C=CCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1,0,0.0,
+C=CCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1,0,0.0,
+C=CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1,0,0.0,
+C=CCOc1ccccc1/C=N/O,0,0.0,
+C=CCOc1ccccc1/C=c1\sc2nc(-c3oc4ccccc4c3C)nn2c1=O,0,0.0,
+C=CCOc1ccccc1/C=c1\sc2nc(=O)c(C)nn2c1=O,0,0.0,
+C=CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C=CCOc1ccccc1CN1CCSCC1,0,0.0,
+C=CCOc1ccccc1CNCc1cccnc1,0,0.0,
+C=CCOc1ccccc1CNn1nnnc1N,0,0.0,
+C=CCOc1nc(-c2ccncc2)nc2ccccc12,0,0.0,
+C=CCOc1nc(N(C)C)nc(N(C)C)n1,0,0.0,
+C=CCOc1nc(N2CCCC2)nc(N2CCCC2)n1,0,0.0,
+C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0,0.0,
+C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl,0,0.0,
+C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,0,0.0,
+C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl,0,0.0,
+C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl,0,0.0,
+C=CCOc1nc2c(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n2C)n1C,0,0.0,
+C=CCOc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C,0,0.0,
+C=CCOn1c(=O)c(-c2cc3ccccc3o2)[n+]([O-])c2ccccc21,0,0.0,
+C=CCOn1c(=O)c(-c2ccc(OC)cc2)[n+]([O-])c2ccccc21,0,0.0,
+C=CCOn1c(=O)c(=O)n(OCc2ccccc2)c2ccccc21,1,100.0,0.0
+C=CCOn1c(=O)c(C)[n+]([O-])c2ccccc21,0,0.0,
+C=CCS/C(=N\n1cnc2ccccc2c1=O)N1CCCCC1,0,0.0,
+C=CCSC1=C(C#N)C(c2cc(Br)c(O)c(OC)c2)CC(=O)N1,0,0.0,
+C=CCSC1=C(C#N)C(c2ccc(C(C)C)cc2)CC(=O)N1,0,0.0,
+C=CCSC1=C(C#N)C(c2ccc(OCC)cc2)CC(=O)N1,0,0.0,
+C=CCSC1=C(C#N)C(c2cccc(OC)c2)CC(=O)N1,0,0.0,
+C=CCSC1=C(C#N)C(c2ccccc2)CC(=O)N1,0,0.0,
+C=CCSC1=C(C#N)C(c2ccccc2C)CC(=O)N1,0,0.0,
+C=CCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1,0,0.0,
+C=CCSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1,0,0.0,
+C=CCSC1=C(C#N)C(c2ccccc2OCC)C(C#N)C(=O)N1,0,0.0,
+C=CCSC1=C(C#N)C(c2ccccc2OCC)CC(=O)N1,0,0.0,
+C=CCSC1=C(C#N)C2(CCCCC2)C(C#N)C(=O)N1,0,0.0,
+C=CCSC1=N/C(=C\C=C\c2ccco2)C(=O)S1,0,0.0,
+C=CCSC1=N/C(=C\c2cc(OC)c3c(c2)OCO3)C(=O)S1,0,0.0,
+C=CCSC1=N/C(=C\c2ccc(C)o2)C(=O)S1,0,0.0,
+C=CCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1,0,0.0,
+C=CCSC1=N/C(=C\c2ccsc2)C(=O)S1,0,0.0,
+C=CCSC1=NC(N)=C(C#N)C2(CCCCC2)C1C(N)=O,0,0.0,
+C=CCSc1[nH]c(=O)cc(C)c1C(N)=O,0,0.0,
+C=CCSc1n[nH]c(-c2ccc(OC)cc2)n1,0,0.0,
+C=CCSc1n[nH]c(-c2ccc(OCCC)cc2)n1,0,0.0,
+C=CCSc1n[nH]c(-c2ccc(OCCCC)cc2)n1,0,0.0,
+C=CCSc1nc(C)c(CC(=O)OCC(C)C)c(=O)[nH]1,0,0.0,
+C=CCSc1nc(C)c(CC(=O)OCCCC)c(=O)[nH]1,0,0.0,
+C=CCSc1nc(C)c(CC=C)c(=O)[nH]1,0,0.0,
+C=CCSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N,0,0.0,
+C=CCSc1nc(N)c(C#N)c(-c2ccccc2)c1C#N,0,0.0,
+C=CCSc1nc(N)c(C(=O)Nc2ccccc2C)cc1C(N)=O,1,100.0,0.0
+C=CCSc1nc(N)c2c(C)c(C)sc2n1,0,0.0,
+C=CCSc1nc(O)c(CC)c(=O)n1C(C)CC,0,0.0,
+C=CCSc1nc2c(c(=N)n1CC=C)C1CCCC1S2,0,0.0,
+C=CCSc1nc2c(c(=O)[nH]1)C(C(C)C)C(C#N)=C(N)O2,0,0.0,
+C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C,0,0.0,
+C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl,0,0.0,
+C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC,0,0.0,
+C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1,0,0.0,
+C=CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC,0,0.0,
+C=CCSc1nc2c(cc1C#N)CCC2,0,0.0,
+C=CCSc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1,0,0.0,
+C=CCSc1nc2ccccc2[nH]1,1,100.0,0.0
+C=CCSc1nc2ccccc2c(=O)[nH]1,0,0.0,
+C=CCSc1nc2ccccc2n1Cc1nnc(-c2cccs2)o1,0,0.0,
+C=CCSc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0.0,
+C=CCSc1ncccc1C(=O)NCc1ccccc1,0,0.0,
+C=CCSc1ncccc1C(=O)O,0,0.0,
+C=CCSc1nnc(-c2c[nH]c3ccccc23)n1CC,0,0.0,
+C=CCSc1nnc(-c2c[nH]c3ccccc23)n1CCOC,0,0.0,
+C=CCSc1nnc(-c2cc(Br)ccc2N)c(=O)[nH]1,0,0.0,
+C=CCSc1nnc(-c2ccc(Cl)cc2Cl)o1,0,0.0,
+C=CCSc1nnc(-c2ccccc2NC(=O)CC)c(=O)[nH]1,0,0.0,
+C=CCSc1nnc(-c2ccccc2NC(C)=O)c(=O)[nH]1,0,0.0,
+C=CCSc1nnc(-c2cccnc2)o1,0,0.0,
+C=CCSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1,0,0.0,
+C=CCSc1nnc(C)n1-c1ccc(Cl)cc1,0,0.0,
+C=CCSc1nnc(CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1-c1ccccc1,0,0.0,
+C=CCSc1nnc(Cc2c(C)[nH]c3ccccc23)o1,0,0.0,
+C=CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C,0,0.0,
+C=CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C,0,0.0,
+C=CCSc1nnc(NC(=O)CSc2ccccn2)s1,0,0.0,
+C=CCSc1nnc(NC(=O)CSc2nc(CCC)cc(=O)[nH]2)s1,0,0.0,
+C=CCSc1nnc(NC(=O)CSc2nc3ccccc3o2)s1,0,0.0,
+C=CCSc1nnc(NC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)s1,0,0.0,
+C=CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1,0,0.0,
+C=CCSc1nnc2c(n1)OC(c1cccnc1)N(C(C)=O)c1ccccc1-2,1,100.0,1.0
+C=CCSc1nnc2c(n1)OC(c1cccnc1)Nc1ccccc1-2,0,0.0,
+C=CCSc1nnc2c(n1)OC=Nc1ccc(Br)cc1-2,0,0.0,
+C=CCSc1nnc2c(n1)OC=Nc1ccccc1-2,0,0.0,
+C=CCSc1nnc2c(n1)[nH]c1c(C)cccc12,0,0.0,
+C=CCSc1nnc2n(-c3ccccc3OC)c(=O)c3c4c(sc3n12)CCC4,0,0.0,
+C=CCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,0,0.0,
+C=CCSc1nnc2nc3c(nn12)c1cc(C)ccc1n3CC=C,0,0.0,
+C=CCSc1nncn1/N=C/c1ccc(OC)cc1,0,0.0,
+C=CCSc1nsc(N)n1,0,0.0,
+C=CC[N+](C)(C)CCCNC(=O)/C=N/O,0,0.0,
+C=CCc1c(C)[nH]c(=S)c(C#N)c1C,0,0.0,
+C=CCc1c(C)[nH]c2ccc(C)cc2c1=O,0,0.0,
+C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C)CC1,0,0.0,
+C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN(C)C,0,0.0,
+C=CCc1c(C)nc(SC(C)C)[nH]c1=O,0,0.0,
+C=CCc1c(C)nc(SC)nc1Nc1ccc(C(=O)O)cc1,0,0.0,
+C=CCc1c(C)nc(SC)nc1Nc1ccc(C(C)=O)cc1,0,0.0,
+C=CCc1c(C)nc(SCC(=C)C)[nH]c1=O,0,0.0,
+C=CCc1c(C)nc(SCCC)[nH]c1=O,0,0.0,
+C=CCc1c(C)nc(SCc2nc3ccccc3c(=O)[nH]2)[nH]c1=O,0,0.0,
+C=CCc1c(C)nc2c(C(=O)O)cnn2c1C,0,0.0,
+C=CCc1c(C)nn(CC(=O)O)c1-c1ccccc1,0,0.0,
+C=CCc1cc(/C=N/n2cnnc2)cc(OCC)c1O,0,0.0,
+C=CCc1cc(C(=O)N2CCCCC2)ccc1O,0,0.0,
+C=CCc1cc(C)cc(C)c1OCCn1cncn1,0,0.0,
+C=CCc1cc(C)ccc1OCC(O)CN1CCN(c2ccccc2)CC1,0,0.0,
+C=CCc1cc(OC)ccc1OCC(O)CN1CCN(c2ccc(OC)cc2)CC1,0,0.0,
+C=CCc1cc(OC)ccc1OCCON1C(=O)CCC1=O,0,0.0,
+C=CCc1ccc(OCC(O)CN2CCCCC2)c(OC)c1,0,0.0,
+C=CCc1ccc(OCC(O)CN2CCCCC2C)c(OC)c1,1,100.0,0.0
+C=CCc1ccc(OCC(O)COCC)c(OC)c1,0,0.0,
+C=CCc1ccc(OCCCCCN2CCOCC2)c(OC)c1,1,100.0,1.0
+C=CCc1ccc(OCCOCCNCCOC)c(OC)c1,0,0.0,
+C=CCc1cccc(/C=N/c2nc3ccccc3n2CC)c1O,0,0.0,
+C=CCc1cccc(/C=N/c2ncccc2O)c1O,0,0.0,
+C=CCc1cccc(/C=N/c2ncn[nH]2)c1O,0,0.0,
+C=CCc1cccc(/C=N/n2cnnc2)c1O,0,0.0,
+C=CCc1cccc(C2Nc3ccccc3C(=O)N2O)c1O,0,0.0,
+C=CCc1cccc(CNc2c(C)n(C)n(-c3ccccc3)c2=O)c1O,0,0.0,
+C=CCc1cccc(CNc2nc3ccccc3n2C(C)C)c1O,0,0.0,
+C=CCc1cccc(CNc2nc3ccccc3n2CC)c1O,0,0.0,
+C=CCc1cccc(CNc2nc3ccccc3n2CCC)c1O,0,0.0,
+C=CCc1cccc(CNc2nc3ccccc3n2CCN2CCOCC2)c1O,0,0.0,
+C=CCc1cccc2cc(C(=O)N(C)C)c(=O)oc12,0,0.0,
+C=CCc1cccc2cc(C(=O)N(CC)CC)c(=O)oc12,0,0.0,
+C=CCc1cccc2cc(C(=O)N3CCN(C(=O)OCC)CC3)c(=O)oc12,0,0.0,
+C=CCc1cccc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12,0,0.0,
+C=CCc1cccc2cc(C(=O)NC(C)(C)C)c(=O)oc12,0,0.0,
+C=CCc1cccc2cc(C(=O)NC)c(=O)oc12,0,0.0,
+C=CCc1cccc2cc(C(=O)NCc3cccnc3)c(=O)oc12,0,0.0,
+C=CCc1cccc2cc(NC(C)=O)c(=O)oc12,0,0.0,
+C=CCc1ccccc1OCC(CN1CCCCC1)OC(C)=O,0,0.0,
+C=CCc1ccccc1OCC(O)CN(C(C)C)C(C)C,1,100.0,1.0
+C=CCc1ccccc1OCC(O)CN1CCN(C(=O)OCC)CC1,0,0.0,
+C=CCc1ccccc1OCC(O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1,1,100.0,
+C=CCc1ccccc1OCC(O)CN1CCN(c2ccc(C)cc2)CC1,0,0.0,
+C=CCc1ccccc1OCC(O)CN1CCN(c2ccc(OC)cc2)CC1,0,0.0,
+C=CCc1ccccc1OCC(O)CN1CCN(c2ccccc2F)CC1,0,0.0,
+C=CCc1ccccc1OCC(O)CN1CCN(c2ccccc2OC)CC1,0,0.0,
+C=CCc1ccccc1OCC(O)CNC,0,0.0,
+C=CCc1ccccc1OCC(O)CNC(C)C,0,0.0,
+C=CCc1ccccc1OCC(O)Cn1ccnc1C,0,0.0,
+C=CCc1ccccc1OCCCCN1CCCC1,1,100.0,1.0
+C=CCc1ccccc1OCCn1ccnc1,0,0.0,
+C=CCn1c(-c2c[nH]c3ccccc23)n[nH]c1=S,0,0.0,
+C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)n[nH]c1=S,0,0.0,
+C=CCn1c(-c2cc(OC)cc(OC)c2)n[nH]c1=S,0,0.0,
+C=CCn1c(-c2ccc(Cl)cc2)c[nH]c1=S,0,0.0,
+C=CCn1c(-c2ccc(N)cc2)nc2ccccc21,0,0.0,
+C=CCn1c(-c2ccc(OC)c(OC)c2)cs/c1=N\c1ccccn1,0,0.0,
+C=CCn1c(-c2ccc(OC)c(OC)c2)n[nH]c1=S,0,0.0,
+C=CCn1c(-c2ccc(OC)cc2)nc2ccccc21,0,0.0,
+C=CCn1c(-c2cccc(Cl)c2)n[nH]c1=S,0,0.0,
+C=CCn1c(-c2ccccc2)c[nH]c1=S,0,0.0,
+C=CCn1c(-c2ccccc2)n[nH]c1=S,0,0.0,
+C=CCn1c(-c2ccccc2)nc2nc3ccccc3nc21,0,0.0,
+C=CCn1c(-c2ccco2)n[nH]c1=S,0,0.0,
+C=CCn1c(-c2cccs2)nc2ccccc21,0,0.0,
+C=CCn1c(-c2cccs2)nc2nc3ccccc3nc21,0,0.0,
+C=CCn1c(-c2ccoc2)n[nH]c1=S,0,0.0,
+C=CCn1c(/N=C/c2ccc(N(C)C)cc2)nc2ccccc21,0,0.0,
+C=CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cc(C)ccc3nc21,0,0.0,
+C=CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+C=CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3ccccc3nc21,0,0.0,
+C=CCn1c(=N)c(C(=O)OC)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+C=CCn1c(=N)c(C(=O)OCC)cc2c(=O)n3cc(C)ccc3nc21,0,0.0,
+C=CCn1c(=N)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+C=CCn1c(=N)n(CC(=O)O)c2ccccc21,0,0.0,
+C=CCn1c(=N)n(CC(=O)OC)c2ccccc21,0,0.0,
+C=CCn1c(=N)n(CC(=O)OCC)c2ccccc21,0,0.0,
+C=CCn1c(=N)n(CC(O)COc2ccc(OC)cc2)c2ccccc21,0,0.0,
+C=CCn1c(=N)n(CC(O)COc2ccccc2OC)c2ccccc21,0,0.0,
+C=CCn1c(=N)n(CC(O)c2ccco2)c2ccccc21,0,0.0,
+C=CCn1c(=NC(=O)C2CC2)sc2cc(NC(C)=O)ccc21,0,0.0,
+C=CCn1c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)s/c1=C(/C#N)c1nc2ccccc2n1C,0,0.0,
+C=CCn1c(=O)/c(=C/c2ccc(C)o2)s/c1=C(/C#N)C(=O)c1ccccc1,0,0.0,
+C=CCn1c(=O)/c(=C/c2ccc(Cl)cc2)s/c1=C(/C#N)c1nnc2n1CCCCC2,0,0.0,
+C=CCn1c(=O)/c(=C/c2ccc(F)cc2)s/c1=C(\C#N)c1nnc2n1CCCCC2,0,0.0,
+C=CCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C(/C#N)c1nnc2n1CCCCC2,0,0.0,
+C=CCn1c(=O)/c(=C\c2ccsc2)s/c1=C(/C#N)C(=O)NCCN1CCOCC1,0,0.0,
+C=CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)ccc2c1=O,0,0.0,
+C=CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)ccc2c1=O,0,0.0,
+C=CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2c1=O,0,0.0,
+C=CCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21,0,0.0,
+C=CCn1c(=O)c(C(=O)NCCN(CC)CC)c(O)c2ccccc21,0,0.0,
+C=CCn1c(=O)c(C(=O)NCCNCC)c(O)c2ccccc21,0,0.0,
+C=CCn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21,0,0.0,
+C=CCn1c(=O)c(C(=O)Nc2ccccc2C(=O)OCC)c(O)c2ccccc21,1,100.0,0.0
+C=CCn1c(=O)c(C(=O)Nc2ccccc2O)c(O)c2ccccc21,0,0.0,
+C=CCn1c(=O)c(C(=O)Nc2ccccc2OC)c(O)c2ccccc21,0,0.0,
+C=CCn1c(=O)c(C(=O)Nc2nnc(C)s2)c(O)c2ccccc21,0,0.0,
+C=CCn1c(=O)c2c(C)c(C)sc2n2c(Nc3ccc(OC)cc3)nnc12,0,0.0,
+C=CCn1c(=O)c2c(C)c(C)sc2n2c(Nc3ccccc3)nnc12,0,0.0,
+C=CCn1c(=O)c2c(nc3n2CC(C)CN3c2cccc(OC)c2)n(C)c1=O,0,0.0,
+C=CCn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2C)n(C)c1=O,0,0.0,
+C=CCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O,0,0.0,
+C=CCn1c(=O)c2c3c(sc2n2c(Nc4ccc(OC)cc4)nnc12)CCCC3,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(SC(C)C(=O)Nc3nc(-c4ccccc4)cs3)nnc12,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(SCC(=O)/C(C#N)=C(\C)N)nnc12,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCc4ccccc43)nnc12,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3ccccc3)nnc12,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(C)on3)nnc12,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccccc3)nnc12,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(SCc3c(C(=O)OCC)oc4ccccc34)nnc12,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(SCc3cc(=O)n4ccsc4n3)nnc12,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(SCc3csc(-c4ccccc4)n3)nnc12,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(SCc3nc(N)nc(Nc4ccccc4C)n3)nnc12,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(SCc3nnc(-c4ccccc4Br)o3)nnc12,0,0.0,
+C=CCn1c(=O)c2ccccc2n2c(Sc3nnnn3-c3ccccc3)nnc12,0,0.0,
+C=CCn1c(=O)n(CC=C)c2c(C)cc(C)cc21,0,0.0,
+C=CCn1c(=O)n(CC=C)c2cc(C)ccc21,0,0.0,
+C=CCn1c(=O)n(CCC#N)c(=O)n(CCC#N)c1=O,0,0.0,
+C=CCn1c(=O)n(CCOC)c(=O)c2sc3ccccc3c21,0,0.0,
+C=CCn1c(=S)[nH]c2ccc(Br)cc2c1=O,0,0.0,
+C=CCn1c(=S)[nH]c2ccccc2c1=O,0,0.0,
+C=CCn1c(=S)[nH]c2nc3c(cc2c1=O)CCCC3,0,0.0,
+C=CCn1c(=S)[nH]c2nc3c(cc2c1=O)COC(C)(C)C3,1,100.0,0.0
+C=CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C=CCn1c(C#N)c(N)sc1=N,0,0.0,
+C=CCn1c(C(C)NC(=O)C(C)(C)C)nc2ccccc21,0,0.0,
+C=CCn1c(C(C)NC(=O)CC)nc2ccccc21,0,0.0,
+C=CCn1c(C(C)NC(=O)CCC)nc2ccccc21,0,0.0,
+C=CCn1c(C(C)NC(=O)COC)nc2ccccc21,0,0.0,
+C=CCn1c(C)c(C(C)=O)c(N2CCCC2)nc1=S,0,0.0,
+C=CCn1c(C)c(C(C)=O)c(N2CCOCC2)nc1=S,0,0.0,
+C=CCn1c(C)c(C(C)=O)c(SC)nc1=S,0,0.0,
+C=CCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3C2=O)c1C,0,0.0,
+C=CCn1c(C)cc(C(=O)COC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1C,0,0.0,
+C=CCn1c(C)cc(C(=O)COC(=O)COc2ccccc2C#N)c1C,0,0.0,
+C=CCn1c(C)cc(C(=O)COc2ncnc3sccc23)c1C,0,0.0,
+C=CCn1c(C)cc(C(=O)COc2nncc3ccccc23)c1C,0,0.0,
+C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c1C,0,0.0,
+C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3o2)c1C,0,0.0,
+C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)c1C,0,0.0,
+C=CCn1c(C)cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c1C,0,0.0,
+C=CCn1c(C)cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c1C,1,100.0,
+C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1,0,0.0,
+C=CCn1c(C2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21,0,0.0,
+C=CCn1c(CC#N)nnc1N1CCOCC1,0,0.0,
+C=CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)NC1CCCCC1,0,0.0,
+C=CCn1c(CC(=O)OC)csc1=Nc1ccc(C(C)=O)cc1,0,0.0,
+C=CCn1c(CCC(=O)O)ccc1-c1ccc(OC)cc1,0,0.0,
+C=CCn1c(CCC(=O)O)ccc1-c1ccccc1,0,0.0,
+C=CCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21,0,0.0,
+C=CCn1c(CCCNC(=O)CCC)nc2ccccc21,0,0.0,
+C=CCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21,0,0.0,
+C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc(C)cs1,0,0.0,
+C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(C(C)=O)c1,0,0.0,
+C=CCn1c(CNC(=O)CCC)nc2ccccc21,0,0.0,
+C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)NC1CCCC1,0,0.0,
+C=CCn1c(COC)nnc1SCC(=O)c1ccc(F)cc1,0,0.0,
+C=CCn1c(COc2ccc(CC)cc2)nnc1SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1,0,0.0,
+C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)N(C)C1CCS(=O)(=O)C1,0,0.0,
+C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,1,100.0,0.0
+C=CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)NC(=O)NCc1ccco1,0,0.0,
+C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)NC(=O)NCc1ccco1,0,0.0,
+C=CCn1c(COc2cccc3ccc(C)nc23)nnc1SCC(=O)O,0,0.0,
+C=CCn1c(COc2cccc3ccc(C)nc23)nnc1SCC(=O)OC,0,0.0,
+C=CCn1c(COc2cccc3ccc(C)nc23)nnc1SCC(N)=O,0,0.0,
+C=CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)O,0,0.0,
+C=CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)OC,0,0.0,
+C=CCn1c(COc2ccccc2)nnc1SCC(=O)C(C)(C)C,0,0.0,
+C=CCn1c(COc2ccccc2)nnc1SCC(=O)NCC(=O)OCC,0,0.0,
+C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1,0,0.0,
+C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+C=CCn1c(COc2ccccc2)nnc1SCC(=O)O,0,0.0,
+C=CCn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1,0,0.0,
+C=CCn1c(COc2ccccc2C)nnc1SCC(=O)O,0,0.0,
+C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+C=CCn1c(COc2ccccc2F)nnc1SCC(=O)NC(=O)NCc1ccco1,0,0.0,
+C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCCN1CCOCC1,0,0.0,
+C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCc1ccco1,0,0.0,
+C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)OCC,0,0.0,
+C=CCn1c(Cc2c[nH]c3ccccc23)n[nH]c1=S,0,0.0,
+C=CCn1c(Cc2ccc(OC(C)C)c(Cl)c2)nnc1SCC(N)=O,0,0.0,
+C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1nc2ccccc2c(=O)[nH]1,0,0.0,
+C=CCn1c(Cc2ccc(OCC)cc2)nnc1SCC(N)=O,0,0.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1,0,0.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(OC)c(OC)c1,0,0.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(OC)cc1,0,0.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(OC)c1,0,0.0,
+C=CCn1c(Cc2csc(N)n2)nnc1SCC(=O)NC1CCCCC1,0,0.0,
+C=CCn1c(Cc2csc(N)n2)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1,0,0.0,
+C=CCn1c(Cc2csc(N)n2)nnc1SCC(=O)Nc1nc(C)c(C(=O)OCC)s1,0,0.0,
+C=CCn1c(Cc2csc(N)n2)nnc1SCC(=O)OCC,0,0.0,
+C=CCn1c(Cc2csc(N)n2)nnc1SCc1ccc(C(=O)OC)cc1,0,0.0,
+C=CCn1c(Cc2nc3ccccc3[nH]2)n[nH]c1=S,0,0.0,
+C=CCn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(N)c(-c2nc3ccccc3n2C)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)N2CCN(C)CC2)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)N2CCOCC2)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)NC2CCCCC2)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(N)c(C(=O)NCC2CCCO2)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)NCCC2=CCCCC2)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)NCc2cccnc2)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)NCc2ccco2)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(N)c(C(=O)Nc2ccccc2OC)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)OC(C)(C)C)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(N)c(C(=O)OC(C)CC)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(N)c(C(=O)OCC(C)C)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(N)c(C(=O)OCCC)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(N)cc(=O)nc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+C=CCn1c(N)cc(=O)nc1SCC(=O)NC(C)c1ccccc1,0,0.0,
+C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccccc1,0,0.0,
+C=CCn1c(N)nc2ccccc21,0,0.0,
+C=CCn1c(N2C(=O)CC(Cc3ccccc3)C2=O)nc2ccccc21,0,0.0,
+C=CCn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C=CCn1c(NC(=O)c2ccc(Br)o2)c(C(=O)OCC)sc1=S,0,0.0,
+C=CCn1c(NC(=O)c2ccc(C)cc2)c(C#N)sc1=N,0,0.0,
+C=CCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(NC(=O)c2ccco2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(NC(C)c2cc(Cl)ccc2O)nc2ccccc21,0,0.0,
+C=CCn1c(NC)cc(=O)n(C)c1=O,0,0.0,
+C=CCn1c(NCCO)nc2sc3c(c2c1=O)CCC3,0,0.0,
+C=CCn1c(NCCOC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C=CCn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C=CCn1c(NCc2cc(C)ccc2O)nc2ccccc21,0,0.0,
+C=CCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21,1,100.0,0.0
+C=CCn1c(NCc2ccc3c(c2)OCO3)nc2ccccc21,0,0.0,
+C=CCn1c(NCc2ccccc2)nc2ccccc21,0,0.0,
+C=CCn1c(O)c(C(=O)CCCCCC)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(C)=NC2CC2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(C)=NCCCO)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(C)=NCCN2CCOCC2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(C)=NCc2cc(OC)cc(OC)c2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(C)=NCc2cccnc2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(C)=Nc2cc(OC)ccc2OC)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(C)=Nc2ccc(C(=O)OCC)cc2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(C)=Nc2ccc(N(C)C)cc2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(C)=Nc2ccc(N(CC)CC)cc2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(C)=Nc2ccc(NC(C)=O)cc2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(CC)=NCCCO)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(CC)=NCCN2CCOCC2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(CC)=NCc2cc(OC)cc(OC)c2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(CC)=NCc2cccnc2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(CC)=Nc2cc(OC)ccc2OC)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(CC)=Nc2ccc(N(CC)CC)cc2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(CC)=Nc2ccccc2NC(=O)CC)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C(CC)=Nc2ccccc2NC(C)=O)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N/c1nccs1,0,0.0,
+C=CCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=Nc1ccc(O)cc1,0,0.0,
+C=CCn1c(O)c(C=NCCN(C)C)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C=Nc2ccc(N(CC)CC)cc2)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(C=Nc2ccc(OC)cc2C)c(=O)[nH]c1=O,0,0.0,
+C=CCn1c(O)c(CN2CCN(Cc3ccccc3)CC2)c(C)c(C#N)c1=O,0,0.0,
+C=CCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O,0,0.0,
+C=CCn1c(Oc2cc(C)ccc2C)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C=CCn1c(SC(C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccc(OC)cc1,0,0.0,
+C=CCn1c(SC(C)C(=O)NCc2ccc3c(c2)OCO3)nnc1C1CCCCC1,0,0.0,
+C=CCn1c(SC(CCO)C(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCC3,0,0.0,
+C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1sc(N)nc1C,0,0.0,
+C=CCn1c(SC2CCOC2=O)nc2scc(C3CC3)c2c1=O,0,0.0,
+C=CCn1c(SCC#N)nc2c(c1=O)C(C)(C)Cc1ccccc1-2,0,0.0,
+C=CCn1c(SCC#N)nc2ccccc2c1=O,0,0.0,
+C=CCn1c(SCC(=C)C)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(SCC(=O)/C(C#N)=C(\C)N)nc2sc(CC)cc2c1=O,0,0.0,
+C=CCn1c(SCC(=O)/C(C#N)=C(\C)N)nnc1C1CCCCC1,0,0.0,
+C=CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccn1,0,0.0,
+C=CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cccs1,0,0.0,
+C=CCn1c(SCC(=O)N(CC)CC)nc(O)cc1=O,0,0.0,
+C=CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2scc(-c3cccs3)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)N2CCCC2)nc2cc(C(=O)NCC3CCCO3)ccc2c1=O,0,0.0,
+C=CCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2sc(CC)cc2c1=O,0,0.0,
+C=CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1cccs1,0,0.0,
+C=CCn1c(SCC(=O)N2CCOCC2)nc(O)c(Cc2ccccc2)c1=O,0,0.0,
+C=CCn1c(SCC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCCC3,0,0.0,
+C=CCn1c(SCC(=O)N2CCOCC2)nc2scc(-c3ccco3)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1C1CCCCC1,0,0.0,
+C=CCn1c(SCC(=O)NC(=O)NCC(C)C)nnc1C1CCCCC1,0,0.0,
+C=CCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2sc(C)c(C)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2sc(CC)cc2c1=O,0,0.0,
+C=CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc(O)cc1=O,0,0.0,
+C=CCn1c(SCC(=O)NC2CCCC2)nc2scc(-c3ccco3)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(OC)cc1,0,0.0,
+C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1sc(N)nc1C,0,0.0,
+C=CCn1c(SCC(=O)NC2CCCCC2)nnc1C(C)NC(=O)c1cccs1,0,0.0,
+C=CCn1c(SCC(=O)NC2CCS(=O)(=O)C2)nc2scc(C3CC3)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)NCC(=O)OCC)nnc1-c1cccc(OC)c1,0,0.0,
+C=CCn1c(SCC(=O)NCC(=O)OCC)nnc1-c1ccccn1,0,0.0,
+C=CCn1c(SCC(=O)NCC2CCCO2)nc2scc(-c3ccco3)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)NCC2CCCO2)nnc1C1CCCCC1,0,0.0,
+C=CCn1c(SCC(=O)NCCCC)nc2scc(-c3ccco3)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)NCCOC)nc2scc(-c3ccco3)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1C1CCCCC1,0,0.0,
+C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1C1COc2ccccc2O1,0,0.0,
+C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1O,0,0.0,
+C=CCn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCC3,0,0.0,
+C=CCn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCCCC3,0,0.0,
+C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc2ccccc2n1,0,0.0,
+C=CCn1c(SCC(=O)NCc2cccs2)nnc1C1CCCCC1,0,0.0,
+C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cnccn1,0,0.0,
+C=CCn1c(SCC(=O)Nc2c(C)nn(Cc3ccccc3)c2C)nnc1C(O)c1ccccc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cnccn1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cnccn1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cc(C)nn2-c2ccccc2)nnc1C1CCCCC1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccccn1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1cccnc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1cnccn1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)nnc1-c1cccs1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1-c1cccs1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1-c1sc(N)nc1C,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cccnc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1cccc(C)c1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccs1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc2c1=O,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cc(Br)ccc1O,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1O,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1OC,0,0.0,
+C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1C(C)NC(=O)c1cccs1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cnccn1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccnc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccccc2OC)nc(O)c(CC)c1=O,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccccn1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(CO)NC(=O)c1ccccc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1O,0,0.0,
+C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2cccc(OC)c2o1,0,0.0,
+C=CCn1c(SCC(=O)Nc2nnc(CC)s2)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nnc1-c1sc(N)nc1C,0,0.0,
+C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2sc(C)c(C)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)O)nnc1-c1ccc(C(C)(C)C)cc1,0,0.0,
+C=CCn1c(SCC(=O)O)nnc1-c1cccc(Cl)c1,0,0.0,
+C=CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCN(C)C3,1,100.0,1.0
+C=CCn1c(SCC(=O)c2cc(C)n(C(C)COC)c2C)nc2sc(C)c(C)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)nc2sc(C)c(C)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)nnc1-c1ccccc1,0,0.0,
+C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nc2scc(C3CC3)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nnc1-c1cccs1,0,0.0,
+C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC,0,0.0,
+C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cc2cccc(OC)c2o1,0,0.0,
+C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1C(C)NC(=O)c1cccs1,0,0.0,
+C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc2ccccc2o1,0,0.0,
+C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc2c(c1)OCO2,0,0.0,
+C=CCn1c(SCC(=O)c2cccs2)nc2sc(C)cc2c1=O,0,0.0,
+C=CCn1c(SCC(=O)c2cccs2)nc2sc(CC)cc2c1=O,0,0.0,
+C=CCn1c(SCC(N)=O)nc(C)cc1=O,0,0.0,
+C=CCn1c(SCC(N)=O)nnc1-c1cc(Br)ccc1O,0,0.0,
+C=CCn1c(SCC(N)=O)nnc1-c1cccc(Br)c1,0,0.0,
+C=CCn1c(SCC(N)=O)nnc1-c1ccccc1O,0,0.0,
+C=CCn1c(SCC(O)Cn2c3ccccc3c3ccccc32)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCC2=C(C(=O)OCC)C(C)NC(=O)N2)nnc1C1CCCCC1,0,0.0,
+C=CCn1c(SCCC#N)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCCC(=O)O)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C=CCn1c(SCCC(=O)O)nnc1-c1cccs1,0,0.0,
+C=CCn1c(SCCCC)nc(O)cc1=O,0,0.0,
+C=CCn1c(SCCCCCC)nc(O)cc1=O,0,0.0,
+C=CCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(SCCN2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C,1,100.0,0.0
+C=CCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(SCCOC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(SCc2c(C)noc2C)nc2cc(C(=O)O)ccc2c1=O,0,0.0,
+C=CCn1c(SCc2c(C)noc2C)nc2sc3c(c2c1=O)CCCCC3,0,0.0,
+C=CCn1c(SCc2c(C)noc2C)nnc1C1COc2ccccc2O1,0,0.0,
+C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nc(O)cc1=O,0,0.0,
+C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCc2cc(=O)n3ccsc3n2)nc2sc(C)c(C)c2c1=O,0,0.0,
+C=CCn1c(SCc2cc(=O)n3ccsc3n2)nc2scc(C3CC3)c2c1=O,0,0.0,
+C=CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CCCCC1,0,0.0,
+C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(Cl)c1,0,0.0,
+C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(OC)c1,0,0.0,
+C=CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1sc(N)nc1C,0,0.0,
+C=CCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1cccnc1,0,0.0,
+C=CCn1c(SCc2ccc3nonc3c2)nnc1-c1cccs1,0,0.0,
+C=CCn1c(SCc2cccc(C#N)c2)nnc1-c1ccccc1O,0,0.0,
+C=CCn1c(SCc2ccccc2)nnc1-c1cccnc1,0,0.0,
+C=CCn1c(SCc2ccccc2C#N)nnc1-c1cc(Br)ccc1O,1,100.0,1.0
+C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccccc1O,0,0.0,
+C=CCn1c(SCc2cccnc2)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCCCC3,0,0.0,
+C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(C)o3)c2c1=O,0,0.0,
+C=CCn1c(SCc2nc(N)nc(N(C)C)n2)nnc1-c1cccnc1,0,0.0,
+C=CCn1c(SCc2nc(N)nc(N3CCCCC3)n2)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2CCC)nnc1-c1ccccc1,0,0.0,
+C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccn1,0,0.0,
+C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1,1,100.0,0.0
+C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2cc(Cl)ccc2o1,0,0.0,
+C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1ccoc1C,0,0.0,
+C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1C(O)c1ccccc1,0,0.0,
+C=CCn1c(SCn2nnc3ccccc3c2=O)nc2scc(-c3cccs3)c2c1=O,0,0.0,
+C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(Br)cc1,0,0.0,
+C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(Cl)cc1,0,0.0,
+C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(F)cc1,0,0.0,
+C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1C1CCCCC1,0,0.0,
+C=CCn1c(Sc2nnc(C)s2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(Sc2nncn2C)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)Nc3nc(C)c(C(=O)OCC)s3)nc21,0,0.0,
+C=CCn1c2ccccc2c2nnc(SCC(=O)NC(C(=O)OC)C(C)C)nc21,0,0.0,
+C=CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21,1,100.0,
+C=CCn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc21,0,0.0,
+C=CCn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc21,0,0.0,
+C=CCn1cc(C(=O)N2CCN(C)CC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21,0,0.0,
+C=CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21,0,0.0,
+C=CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,0,0.0,
+C=CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,0,0.0,
+C=CCn1cc(C(=O)NCCCOCC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,0,0.0,
+C=CCn1cc(C(=O)NCCOC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,0,0.0,
+C=CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,0,0.0,
+C=CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21,0,0.0,
+C=CCn1cc(C(=O)OC)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,0,0.0,
+C=CCn1cc(Cl)c(=O)n(CC=C)c1=O,0,0.0,
+C=CCn1cnc2c(NCc3ccccc3)ncnc21,0,0.0,
+C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1,0,0.0,
+C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1,0,0.0,
+C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1,1,100.0,
+C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cc(OC)c(OC)c(OC)c1,1,100.0,
+C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccc(OC)c1,0,0.0,
+C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccc(OC)c1OC,0,0.0,
+C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccccn1,1,100.0,
+C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1,0,0.0,
+C=CCn1cnc2scc(-c3ccccc3)c2c1=O,0,0.0,
+C=CCn1nnnc1SCC(=O)Nc1cccc(OC)c1,1,100.0,
+C=CCn1nnnc1SCC(=O)Nc1ccccc1C(=O)OC,0,0.0,
+C=CCn1sc(=N)c(C#N)c1N,0,0.0,
+C=CCn1sc(N)c(C(=O)OCC)c1=S,0,0.0,
+C=COC(=O)CSc1nc(-c2cccs2)ccc1C#N,1,100.0,
+C=COC(=O)CSc1snc(SCC(=O)OC)c1C#N,0,0.0,
+C=COCCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,0,0.0,
+C=COCCNC(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+C=COCCNC(=O)Nc1ccc(Cl)cc1Cl,0,0.0,
+C=COCCn1c(-c2nonc2N)nc2ccccc21,0,0.0,
+C=COCCn1c(=N)n(CCC)c2ccccc21,0,0.0,
+C=COCCn1c(C)c(C(=O)OCC)c2cc(O)ccc21,0,0.0,
+C=CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C=C)cc2)cc1,0,0.0,
+C=Cn1c(C(=O)O)cc(CC)c1-c1ccccc1,0,0.0,
+C=Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=Cn1c(P(=S)(N2CCOCC2)N2CCOCC2)cc2c1CCCC2,0,0.0,
+C=Cn1ccnc1P(=S)(c1c(C)nn(-c2ccccc2)c1C)c1nccn1C=C,0,0.0,
+C=Cn1ccnc1P(=S)(c1cc(N(CC)CC)ns1)c1nccn1C=C,0,0.0,
+C=Cn1ccnc1P(=S)(c1ccc(N(C)C)cc1)c1nccn1C=C,0,0.0,
+C=Cn1ccnc1P(=S)(c1ccc2c(c1)c1ccccc1n2CC)c1nccn1C=C,0,0.0,
+C=Cn1ccnc1P(=S)(c1ccn(C)c1)c1nccn1C=C,0,0.0,
+C=Cn1ccnc1P(=S)(c1nccn1C=C)C1CCCCC1,0,0.0,
+C=Cn1nc(C)c2ccccc2c1=O,0,0.0,
+CC#CCCC(=O)N1C=Cc2ccccc2C1C#N,0,0.0,
+CC#CCCCC(=O)Nc1cc(OC)nc(OC)n1,0,0.0,
+CC#CCCCC(=O)Nc1ccc(C(=O)O)cc1,0,0.0,
+CC#CCCCC(=O)Nc1cccc(C(=O)O)c1,0,0.0,
+CC#CCCCC(=O)Nc1ccccc1C(=O)O,0,0.0,
+CC#CCN(CC#CC)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1,0,0.0,
+CC#CCN(CC#CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CC#CP(=O)(OCC)C(O)(c1ccccc1)C(F)(F)F,0,0.0,
+CC(/C(O)=C(\C#N)c1nc2ccccc2n1C)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(/C=C/c1ccc(Cl)o1)=C\C(=O)O,0,0.0,
+CC(/C=C/c1ccccc1)=N/O,0,0.0,
+CC(/C=C/c1ccccc1)NC(N)=O,0,0.0,
+CC(/C=N/O)Cc1ccc2c(c1)OCO2,0,0.0,
+CC(/C=N/n1cnnc1)=C\c1ccco1,0,0.0,
+CC(=C/C(=O)O)/C=C/c1cccs1,0,0.0,
+CC(=C1C(=O)c2ccccc2C1=O)N1CCC(C(N)=O)(N2CCCCC2)CC1,0,0.0,
+CC(=C1C(=O)c2ccccc2C1=O)N1CCN(CCN=Cc2c(O)n(C)c(=O)n(C)c2=O)CC1,0,0.0,
+CC(=C1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+CC(=C1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+CC(=C1C(=O)c2ccccc2C1=O)N1CCc2ccccc2C1,0,0.0,
+CC(=C1C2C=CC1C1C(=O)NC(=O)C21)c1ccccc1,0,0.0,
+CC(=N)C1=C(O)CC(C)(C)CC1=O,0,0.0,
+CC(=N/O)/C(=N\O)c1ccc(C)o1,0,0.0,
+CC(=NC(C)C)C1=C(O)CCC1=O,0,0.0,
+CC(=NC1CCCC1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O,0,0.0,
+CC(=NC1CCCCC1)C1=C(O)c2ccccc2C1=O,0,0.0,
+CC(=NC1CCN(Cc2ccccc2)CC1)c1c(O)[nH]c(=O)[nH]c1=O,0,0.0,
+CC(=NC1CCN(Cc2ccccc2)CC1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CC(=NCC1CCCO1)C1=C(O)CC(C)(C)CC1=O,0,0.0,
+CC(=NCC1CCCO1)c1c(O)[nH]c(=O)[nH]c1=O,0,0.0,
+CC(=NCC1CCCO1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O,0,0.0,
+CC(=NCC1CCCO1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CC(=NCC1CCCO1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CC(=NCC1CCCO1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CC(=NCC1CCNCC1)C1=C(O)CC(C)(C)CC1=O,0,0.0,
+CC(=NCCC1=CCCCC1)c1c(O)[nH]c(=O)[nH]c1=O,0,0.0,
+CC(=NCCC1=CCCCC1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CC(=NCCCN1CCCCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CC(=NCCCN1CCOCC1)c1c(O)[nH]c(=O)[nH]c1=O,0,0.0,
+CC(=NCCCN1CCOCC1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O,0,0.0,
+CC(=NCCCN1CCOCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CC(=NCCCNC1CCCCC1)C1=C(O)CC(C)(C)CC1=O,0,0.0,
+CC(=NCCCO)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CC(=NCCCn1ccnc1)C1=C(O)c2ccccc2C1=O,0,0.0,
+CC(=NCCCn1ccnc1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CC(=NCCN1CCCCC1)c1c(O)[nH]c(=O)[nH]c1=O,0,0.0,
+CC(=NCCN1CCCCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,1,100.0,0.0
+CC(=NCCN1CCNCC1)C1=C(O)CC(C)(C)CC1=O,0,0.0,
+CC(=NCCN1CCOCC1)C1=C(O)c2ccccc2C1=O,0,0.0,
+CC(=NCCN1CCOCC1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O,0,0.0,
+CC(=NCCN1CCOCC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CC(=NCCO)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CC(=NCCO)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CC(=NCCc1ccccc1)C1=C(O)COC1=O,0,0.0,
+CC(=NCCc1ccccc1)C1=C(O)CSC1=O,0,0.0,
+CC(=NCc1ccc(F)cc1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CC(=NCc1ccc2c(c1)OCO2)C1=C(O)c2ccccc2C1=O,0,0.0,
+CC(=NCc1ccc2c(c1)OCO2)c1c(O)[nH]c(=O)[nH]c1=O,0,0.0,
+CC(=NCc1ccc2c(c1)OCO2)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CC(=NCc1ccccc1)C1=C(O)COC1=O,0,0.0,
+CC(=NCc1cccnc1)C1=C(O)c2ccccc2C1=O,0,0.0,
+CC(=NCc1cccnc1)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O,0,0.0,
+CC(=NCc1cccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CC(=NCc1cccnc1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CC(=NCc1ccco1)C1=C(O)c2ccccc2C1=O,0,0.0,
+CC(=NCc1ccco1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O,0,0.0,
+CC(=NCc1ccco1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CC(=NCc1ccco1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CC(=NCc1ccco1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CC(=N\O)/C(CN(C)C)=N/O,0,0.0,
+CC(=Nc1ccc(C)c(C)c1)C1=C(O)CCC1=O,0,0.0,
+CC(=Nc1ccc(C)c(C)c1)C1=C(O)CSC1=O,0,0.0,
+CC(=Nc1ccc(O)cc1)c1sc2ccccc2c1O,0,0.0,
+CC(=Nc1ccc2c(c1)CCC2)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CC(=Nc1ccc2c(c1)CCC2)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CC(=Nc1ccc2c(c1)nc(CO)n2C)C1=C(O)CC(C)(C)CC1=O,0,0.0,
+CC(=Nc1cccc(O)c1)c1sc2ccccc2c1O,0,0.0,
+CC(=Nc1ccccc1)Nc1ccccc1,0,0.0,
+CC(=Nc1ccccc1C)C1=C(O)C(C)OC1=O,0,0.0,
+CC(=O)/C(C#N)=C1\NC(=O)C(Cc2ccccc2)S1,0,0.0,
+CC(=O)/C(C#N)=C1\NC(=O)C(Cc2ccccc2Cl)S1,0,0.0,
+CC(=O)/C(C(=N)N1CCN(C(c2ccccc2)c2ccccc2)CC1)=C(\C)O,0,0.0,
+CC(=O)/C(C(=N)N1CCN(Cc2ccccc2)CC1)=C(\C)O,0,0.0,
+CC(=O)/C(C(=N)N1CCN(c2cccc(Cl)c2)CC1)=C(\C)O,0,0.0,
+CC(=O)/C(CN1CCCCC1)=N\O,0,0.0,
+CC(=O)/C(C[N+]1(C)CCCCC1)=N\O,0,0.0,
+CC(=O)/C=C(/C)NC(Cc1c[nH]c2ccccc12)C(=O)O,0,0.0,
+CC(=O)/C=C(\C)NCCNc1c(F)c(F)c(CO)c(F)c1F,0,0.0,
+CC(=O)/C=C(\C)Nc1ccc(-c2cnc(-c3ccccc3)o2)cc1,0,0.0,
+CC(=O)C(=[N+]=[N-])C(=O)NCc1ccccc1,0,0.0,
+CC(=O)C(C(C)=O)C(NC(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(C(=O)c3ccccc3)coc12,0,0.0,
+CC(=O)C(C)Oc1cc(C)cc2oc(=O)c(C)c(C)c12,0,0.0,
+CC(=O)C(C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0.0,
+CC(=O)C(C)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,0,0.0,
+CC(=O)C(C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3,0,0.0,
+CC(=O)C(Sc1ccc2nnc(-c3ccc(C)cc3)n2n1)C(C)=O,0,0.0,
+CC(=O)C(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(C)=O,0,0.0,
+CC(=O)C(Sc1ccc2nnc(-c3ccncc3)n2n1)C(C)=O,0,0.0,
+CC(=O)C(Sc1nc(-c2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C)C(C)=O,0,0.0,
+CC(=O)C(Sc1nc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)C,0,0.0,
+CC(=O)C(Sc1nc(NC(C)(C)C)nc(N(C)C)n1)C(C)=O,0,0.0,
+CC(=O)C(Sc1ncnc2c1nnn2-c1ccc(F)cc1)C(=O)N(C)C,0,0.0,
+CC(=O)C(Sc1nn(C)c(=S)s1)C(=O)Nc1ccccc1,0,0.0,
+CC(=O)C1(C)OC(N)=C(C#N)C(c2ccccc2)C1(C#N)C#N,0,0.0,
+CC(=O)C1(O)C(C)CC2C3CCC4CC(O)CCC4(C)C3=CCC21C,0,0.0,
+CC(=O)C1(c2ccccc2)CCNCC1,0,0.0,
+CC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2C1c1ccc(N(C)C)cc1,0,0.0,
+CC(=O)C1=C(C)NC(=O)NC1c1cc(Br)ccc1OCC(N)=O,0,0.0,
+CC(=O)C1=C(C)NC(=O)NC1c1ccc(OC2CCCC2)cc1,0,0.0,
+CC(=O)C1=C(C)NC(=O)NC1c1cccc(O)c1,0,0.0,
+CC(=O)C1=C(C)NC(=O)NC1c1ccccc1,0,0.0,
+CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(-c2ccccc2Cl)o1,0,0.0,
+CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1cccs1,0,0.0,
+CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)C1c1ccco1,0,0.0,
+CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)C1c1ccco1,0,0.0,
+CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)C1c1ccco1,0,0.0,
+CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)C1c1ccco1,0,0.0,
+CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)C1c1ccco1,0,0.0,
+CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)C1CC(C)C,0,0.0,
+CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)C1c1ccco1,0,0.0,
+CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1cccnc1,0,0.0,
+CC(=O)C1=C(C)NC(SCSc2ccccc2)=C(C#N)C1c1cccnc1,0,0.0,
+CC(=O)C1=C(C)Nc2cc(C(F)(F)F)ccc2S1,0,0.0,
+CC(=O)C1=C(C)Nc2ncnn2C1c1ccc(Cl)cc1,0,0.0,
+CC(=O)C1=C(C)Nc2ncnn2C1c1ccc(Cl)cc1Cl,0,0.0,
+CC(=O)C1=C(C)Nc2ncnn2C1c1cccc(OCc2ccccc2)c1,0,0.0,
+CC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1Cl,0,0.0,
+CC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1OCc1ccccc1,0,0.0,
+CC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccco1,0,0.0,
+CC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccncc1,0,0.0,
+CC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)C)C12C(=O)Nc1ccccc12,0,0.0,
+CC(=O)C1=C(N2CCCCC2)CCC1=O,0,0.0,
+CC(=O)C1=C(NC(=O)c2ccccc2F)C[C@@H]2[C@H]1C2(C)C,0,0.0,
+CC(=O)C1=C(Nc2ccc(C)cc2)CC(C)(O)C(C(C)=O)C1c1ccco1,1,100.0,0.0
+CC(=O)C1=C(Nc2ccccc2)CC(C)(O)C(C(C)=O)C1c1ccc2c(c1)OCO2,0,0.0,
+CC(=O)C1=C(O)C(=O)N(C)C1c1ccccc1F,0,0.0,
+CC(=O)C1=C(O)C(=O)N(C2CCCCC2)C1c1ccccc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(CC(=O)O)C1c1ccccc1Cl,0,0.0,
+CC(=O)C1=C(O)C(=O)N(CCC(=O)O)C1c1cccc(F)c1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)C1c1ccc(N(C)C)cc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccc(N(C)C)cc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccc(O)cc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1cccc(O)c1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccco1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(CO)C1c1ccccc1F,0,0.0,
+CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccco1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccs1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(Cl)cc1Cl,0,0.0,
+CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccc1Cl,0,0.0,
+CC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccc(F)cc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccc2c(c1)OCO2,0,0.0,
+CC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(c2cc(C(C)(C)C)on2)C1c1ccc(Br)cc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(c2cc(C(C)(C)C)on2)C1c1ccc(C(C)C)cc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cn2)C1c1ccccc1F,0,0.0,
+CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)C1c1ccccc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccccc1F,0,0.0,
+CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)C1c1ccc(F)cc1,0,0.0,
+CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)C1c1ccccc1F,0,0.0,
+CC(=O)C1=C(O)C(=O)N(c2nnn(C)n2)C1c1cccs1,0,0.0,
+CC(=O)C1=C(O)C=C(c2ccco2)CC1c1ccco1,0,0.0,
+CC(=O)C1=C(O)CCC1=N,0,0.0,
+CC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1OCC#N,0,0.0,
+CC(=O)C1C(=O)C=C(c2ccco2)CC1c1ccccc1,0,0.0,
+CC(=O)C1C(=O)CC(C)(O)C(C(C)=O)C1c1ccc(N(C)C)cc1,0,0.0,
+CC(=O)C1C(=O)NC23CCCCC2C1c1ccccc1O3,0,0.0,
+CC(=O)C1C(c2ccc(Cl)cc2)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CC(=O)C1C(c2ccc(F)c(F)c2)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CC(=O)C1C(c2ccc(F)cc2)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CC(=O)C1C(c2ccc(O)cc2)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CC(=O)C1C(c2ccc(OC(F)F)cc2)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CC(=O)C1C(c2ccc3ncccc3c2)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CC(=O)C1C(c2cccc(F)c2)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CC(=O)C1C(c2cccc(Oc3ccccc3)c2)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CC(=O)C1C(c2ccccc2Cl)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CC(=O)C1C(c2ccccc2OC(F)F)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CC(=O)C1C(c2ccco2)c2c(noc2C)CC1(C)O,0,0.0,
+CC(=O)C1C(c2ccncc2)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CC(=O)C1C(c2cn(-c3ccccc3)nc2-c2cccs2)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C/c3cn(C)nc3C)c(=O)n12,0,0.0,
+CC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C/c3cnn(C)c3)c(=O)n12,0,0.0,
+CC(=O)CC(=O)NC(=NC1CCCCC1)Nc1nc(C)cc(C)n1,1,100.0,0.0
+CC(=O)CC(=O)NC1C2CC3CC(C2)CC1C3,0,0.0,
+CC(=O)CC(=O)Nc1cccc2c1CCCC2,0,0.0,
+CC(=O)CC(=O)Nc1ccccc1NC(C)=O,0,0.0,
+CC(=O)CC(C)(C)n1c[n+](C)nn1.[O-][Cl+3]([O-])([O-])[O-],0,0.0,
+CC(=O)CC(C)(C)n1nnc(-c2ccccc2)n1,0,0.0,
+CC(=O)CC(C)=NCCN=C(C)CC(C)=O,0,0.0,
+CC(=O)CC1(C)OC(N)=C(C#N)C1(C#N)C#N,0,0.0,
+CC(=O)CC1(O)C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21,0,0.0,
+CC(=O)CC1OC(=O)C(Br)=C1NCc1ccccc1,1,100.0,0.0
+CC(=O)CCC(=O)NCCc1ccccc1F,0,0.0,
+CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,0,0.0,
+CC(=O)CCS(=O)(=O)c1ccc(C)c(C)c1,0,0.0,
+CC(=O)CCc1c(C)[nH]c2ccc(NC(C)=O)cc2c1=O,0,0.0,
+CC(=O)CCc1c(C)[nH]c2ccccc2c1=O,0,0.0,
+CC(=O)CCc1c(C)c2cc(C)ccc2[nH]c1=O,0,0.0,
+CC(=O)CCc1c(C)c2cccc(C)c2[nH]c1=O,0,0.0,
+CC(=O)CCc1c[nH]c2c(C(=O)O)cccc12,0,0.0,
+CC(=O)CCc1ccc(OC(=O)c2cccnc2)cc1,0,0.0,
+CC(=O)CCc1ccc(OCCCCn2cncn2)cc1,0,0.0,
+CC(=O)CCc1ccc2oc(C(=O)O)c(C)c2c1,0,0.0,
+CC(=O)CCc1oc2ccc(NC(C)=O)cc2c1-c1ccc(C)o1,0,0.0,
+CC(=O)CCn1c(=O)n(CCC(C)=O)c(=O)n(CCC(C)=O)c1=O,0,0.0,
+CC(=O)CN1Cc2ccccc2/C1=N\C(=O)Nc1ccccc1,0,0.0,
+CC(=O)COC(=O)c1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,0,0.0,
+CC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12,0,0.0,
+CC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0.0,
+CC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3,0,0.0,
+CC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCCC3,0,0.0,
+CC(=O)CSc1ncnc2c1oc1ccccc12,0,0.0,
+CC(=O)CSc1ncnc2nc[nH]c12,0,0.0,
+CC(=O)CSc1nnc(CSc2ncccn2)n1C1CCCCC1,0,0.0,
+CC(=O)Cc1ccccc1OC(=O)c1ccco1,0,0.0,
+CC(=O)Cc1ccccc1OCC(=O)O,0,0.0,
+CC(=O)Cc1nsc(NC(=O)C2Cc3ccccc3C(=O)O2)n1,0,0.0,
+CC(=O)Cc1nsc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1,0,0.0,
+CC(=O)Cc1nsc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)oc2C)n1,0,0.0,
+CC(=O)Cc1nsc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)n1,0,0.0,
+CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)n1,0,0.0,
+CC(=O)Cc1nsc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)n1,0,0.0,
+CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccccc3Cl)o2)n1,0,0.0,
+CC(=O)Cc1nsc(NC(=O)c2ccc(Br)o2)n1,0,0.0,
+CC(=O)Cc1nsc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)n1,0,0.0,
+CC(=O)Cc1nsc(NC(=O)c2ccc(COc3ccccc3)o2)n1,0,0.0,
+CC(=O)Cc1nsc(NC(=O)c2ccccc2)n1,0,0.0,
+CC(=O)Cc1nsc(NC(=O)c2csc3c2CCCC3)n1,0,0.0,
+CC(=O)Cc1nsc(Nc2ccc3c(c2)OCCO3)n1,0,0.0,
+CC(=O)Cn1c(C(F)(F)F)nc2ccccc21,0,0.0,
+CC(=O)Cn1c(CN2CC(C)CC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(=O)Cn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(=O)N(C(C)=O)c1c(C#N)c(C)n(-c2ccccc2)c1C(=O)c1ccccc1,0,0.0,
+CC(=O)N(C(C)=O)c1c(N2CCOCC2)c2ccccc2oc1=O,0,0.0,
+CC(=O)N(C(C)=O)c1ccc2nc(C)[nH]c(=O)c2c1,0,0.0,
+CC(=O)N(C(C)=O)c1cccc2c(N(C(C)=O)C(C)=O)cccc12,0,0.0,
+CC(=O)N(C(C)=O)c1ncc2c([nH]c3ccccc32)c1C#N,0,0.0,
+CC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1,0,0.0,
+CC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc23)CCCC1,0,0.0,
+CC(=O)N(C)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,0,0.0,
+CC(=O)N(C)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+CC(=O)N(C)c1ccc(NC(=O)c2cnn(C)c2)cc1,0,0.0,
+CC(=O)N(C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1,0,0.0,
+CC(=O)N(C)c1ccc(OCC(O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+CC(=O)N(C)c1ccc(OCC(O)COc2ccc(N(C)C(C)=O)cc2)cc1,0,0.0,
+CC(=O)N(C)c1nc(-c2ccc(Cl)cc2)cs1,0,0.0,
+CC(=O)N(C1=NCCCS1)c1ccc(F)cc1,0,0.0,
+CC(=O)N(C1=NCCCS1)c1ccccc1F,0,0.0,
+CC(=O)N(CC(=O)Nc1nn(-c2ccccc2)nc1C(N)=O)Cc1ccccc1,0,0.0,
+CC(=O)N(CC(=O)O)c1ccccc1C(=O)O,0,0.0,
+CC(=O)N(CC(C)(C)CC=C(C)C)c1ccccc1,0,0.0,
+CC(=O)N(CC1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1,0,0.0,
+CC(=O)N(CC1CCCO1)c1nnc(-c2ccccn2)s1,0,0.0,
+CC(=O)N(CC1CCCO1)c1nnc(-c2cnccn2)s1,0,0.0,
+CC(=O)N(CCC1(C(C)C)CCOC(C)(C)C1)Cc1ccco1,0,0.0,
+CC(=O)N(CCCN(C)C)CCC(C)CCC=C(C)C,0,0.0,
+CC(=O)N(CCCc1ccc(C(C)(C)C)cc1)CCCN(C)C,0,0.0,
+CC(=O)N(CCN(C(C)=O)c1ccccc1)c1ccccc1,0,0.0,
+CC(=O)N(CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O,0,0.0,
+CC(=O)N(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccco1,0,0.0,
+CC(=O)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0.0,
+CC(=O)N(CN1C(=O)C2CC=CCC2C1=O)c1cccc(Cl)c1,0,0.0,
+CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(C)c1,0,0.0,
+CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1,0,0.0,
+CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1,0,0.0,
+CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1,0,0.0,
+CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1,0,0.0,
+CC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1,0,0.0,
+CC(=O)N(Cc1cc2cc(C)c(C)cc2n2nnnc12)CC1COCCO1,0,0.0,
+CC(=O)N(Cc1cc2ccc(C)c(C)c2n2nnnc12)C1CCCC1,0,0.0,
+CC(=O)N(Cc1ccc2c(c1)OCO2)C1CC(=O)N(CCc2ccccc2)C1=O,0,0.0,
+CC(=O)N(Cc1ccccc1)c1ccc(C(=O)O)cc1,1,100.0,1.0
+CC(=O)N(Cc1ccccc1)c1ncc2c(n1)c(=O)c(C#N)c1ccccn12,0,0.0,
+CC(=O)N(Cc1cccnc1)Cc1cc2ccc(C)cc2[nH]c1=O,0,0.0,
+CC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1,1,100.0,
+CC(=O)N(Cc1cccs1)C1CCOC(C)(C)C1,0,0.0,
+CC(=O)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+CC(=O)N(c1ccc(C(C)C)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+CC(=O)N(c1ccc(C)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+CC(=O)N(c1ccc(Cl)cc1)c1c[nH]c2ccccc12,0,0.0,
+CC(=O)N(c1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1)S(=O)(=O)c1cccs1,0,0.0,
+CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1,0,0.0,
+CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1,0,0.0,
+CC(=O)N(c1cccc(Br)c1)C1C=CS(=O)(=O)C1,0,0.0,
+CC(=O)N(c1cccc(C)c1)C1SC(=O)N(c2ccccc2)C1=O,0,0.0,
+CC(=O)N(c1ccccc1)C1SC(=O)N(c2ccccc2)C1=O,0,0.0,
+CC(=O)N(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+CC(=O)N/C(=N/c1nc(C)cc(C)n1)Nc1ccc(NC(C)=O)cc1,0,0.0,
+CC(=O)N1C(=O)C(=C2C=C(C)OC(C)=C2)c2ccccc21,0,0.0,
+CC(=O)N1C(=O)C2(C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc21,0,0.0,
+CC(=O)N1C(=O)C2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21,0,0.0,
+CC(=O)N1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)c2ccccc21,0,0.0,
+CC(=O)N1C(=O)C2(Nc3ccccc3N2)c2ccccc21,0,0.0,
+CC(=O)N1C(=O)N(C(C)=O)C2C1N(C(C)=O)C(=O)N2C(C)=O,0,0.0,
+CC(=O)N1C(=O)N(C)C2C1N(C(C)=O)C(=O)N2C,0,0.0,
+CC(=O)N1C(=O)N(C)C2C1N(C)C(=O)N2C(C)=O,0,0.0,
+CC(=O)N1C(=O)c2cccc3cccc(c23)C(=O)N1C(C)=O,0,0.0,
+CC(=O)N1C(C(=O)O)CSC1c1ccc(C)cc1,0,0.0,
+CC(=O)N1C(C(=O)O)CSC1c1cccc(C)c1,0,0.0,
+CC(=O)N1C(c2ccccc2)CC(=O)OC1c1ccc2c(c1)OCO2,0,0.0,
+CC(=O)N1C2CCCCC2S[C@H]2CCCCC21,0,0.0,
+CC(=O)N1C=CN(C(C)=O)C(c2cn(C)c3ccccc23)C1c1cn(C)c2ccccc12,0,0.0,
+CC(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c1ccc(F)cc1,0,0.0,
+CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2,0,0.0,
+CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2=O,0,0.0,
+CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2O,0,0.0,
+CC(=O)N1CC2(CC(=O)OC(C)C)CN(C(C)=O)CC(CC(=O)OC(C)C)(C1)C2=O,0,0.0,
+CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(C)C2C1,0,0.0,
+CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1,0,0.0,
+CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@H]2C1,0,0.0,
+CC(=O)N1CCC(=O)N(C(C)C)c2ccccc21,0,0.0,
+CC(=O)N1CCC(C(=O)Nc2ccccc2)(N(Cc2ccccc2)C(=O)c2cccnc2)CC1,0,0.0,
+CC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)ns2)CC1,0,0.0,
+CC(=O)N1CCC(N(C(=O)Nc2ccc(C)c(C)c2)C2CCCC2)CC1,1,100.0,
+CC(=O)N1CCC(N(CCCOC(C)C)C(=O)Nc2ccc(Cl)cc2)CC1,0,0.0,
+CC(=O)N1CCC(N(CCN2CCOCC2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+CC(=O)N1CCC(N2CCN(c3ccccc3F)CC2)CC1,0,0.0,
+CC(=O)N1CCC(Nc2ccc(C)cc2)CC1,0,0.0,
+CC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12,0,0.0,
+CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(C(F)(F)F)c12,0,0.0,
+CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(C)c12,0,0.0,
+CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(CSc3ccc(C)cc3)c12,1,100.0,0.0
+CC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)N3CCN(C)CC3)ccc1O2,0,0.0,
+CC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)NCc3ccc(C)cc3)ccc1O2,0,0.0,
+CC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)NCc3ccco3)ccc1O2,0,0.0,
+CC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)N3CCN(c4cccc(C)c4)C(C)C3)ccc21,0,0.0,
+CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CCC#N)ccc21,0,0.0,
+CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21,0,0.0,
+CC(=O)N1CCCc2cc(S(=O)(=O)N(CC(C)C)CC(C)C)ccc21,0,0.0,
+CC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)ccc21,0,0.0,
+CC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,0,0.0,
+CC(=O)N1CCCc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21,0,0.0,
+CC(=O)N1CCCc2cc(S(=O)(=O)NC(C(=O)NC(C)c3ccccc3)C(C)C)ccc21,0,0.0,
+CC(=O)N1CCCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(C)cc3)C(C)C)ccc21,0,0.0,
+CC(=O)N1CCCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21,0,0.0,
+CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc21,0,0.0,
+CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21,0,0.0,
+CC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1,0,0.0,
+CC(=O)N1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1,0,0.0,
+CC(=O)N1CCN(C(=O)CNc2cc(C(F)(F)F)ccc2OCC(F)(F)F)CC1,0,0.0,
+CC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1,0,0.0,
+CC(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1,0,0.0,
+CC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1,0,0.0,
+CC(=O)N1CCN(C(=S)c2ccc(N(C)C)cc2)CC1,0,0.0,
+CC(=O)N1CCN(C(C)=O)C1c1ccccc1,0,0.0,
+CC(=O)N1CCN(C2=Nc3cccc4cccc2c34)CC1,0,0.0,
+CC(=O)N1CCN(C2c3cccc4cccc(c34)C2NS(=O)(=O)c2ccccc2)CC1,0,0.0,
+CC(=O)N1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1,0,0.0,
+CC(=O)N1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1,0,0.0,
+CC(=O)N1CCN(CC(O)COc2ccc(OCc3ccccc3)cc2)CC1,0,0.0,
+CC(=O)N1CCN(CCN(CC2C(C)C=C(C)CC2C)C(C)=O)CC1,0,0.0,
+CC(=O)N1CCN(CCN=CC2=C(O)CC(C)(C)CC2=O)CC1,0,0.0,
+CC(=O)N1CCN(CCN=CC2=C(O)CC(c3ccc(Cl)cc3)CC2=O)CC1,0,0.0,
+CC(=O)N1CCN(CCN=CC2=C(O)CC(c3cccs3)CC2=O)CC1,0,0.0,
+CC(=O)N1CCN(Cc2cc(=O)n3cc(Cl)c(C)c(Cl)c3n2)CC1,0,0.0,
+CC(=O)N1CCN(Cc2ccc(Br)s2)CC1,0,0.0,
+CC(=O)N1CCN(Cc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)CC1,0,0.0,
+CC(=O)N1CCN(Cc2nc3cc(NS(C)(=O)=O)ccc3n2C)CC1,0,0.0,
+CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C(C)C,0,0.0,
+CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccc(N(C)C)cc1,0,0.0,
+CC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1,0,0.0,
+CC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)CC1,0,0.0,
+CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)CC1,0,0.0,
+CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(N=Cc3c(O)n(-c4ccc(Cl)cc4)c(=O)[nH]c3=O)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(N=Cc3c(O)n(Cc4ccccc4)c(=O)[nH]c3=O)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2Cl)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(NCc3ccc(C(C)C)cc3)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(NCc3ccc(C)cc3)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(NCc3ccc(C)s3)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(NCc3ccc4c(c3)OCO4)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(NCc3ccccc3)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(NCc3cccs3)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(Nc3nc(C)nc4c3oc3ccccc34)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(Nc3ncnc4c3oc3ccccc34)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(Oc3nc(-c4ccccc4)nc4ccccc34)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(Oc3ncnc4sccc34)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(Oc3nnnn3-c3ccccc3)cc2)CC1,0,0.0,
+CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1,0,0.0,
+CC(=O)N1CCN(c2cccc(C)c2C)CC1,0,0.0,
+CC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)ccc2C(C)C)CC1,0,0.0,
+CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)CC1,0,0.0,
+CC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1,0,0.0,
+CC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CCC3)CC1,0,0.0,
+CC(=O)N1CCN(c2nc3cc4c(cc3nc2NS(=O)(=O)c2ccccc2)OCCO4)CC1,0,0.0,
+CC(=O)N1CCN2C(=O)C1CCCC(=O)c1cc(C3CCCCC3)ccc12,0,0.0,
+CC(=O)N1CCN=C1SCc1c(F)cccc1Cl,0,0.0,
+CC(=O)N1CCN=C1SCc1ccc(Br)cc1,0,0.0,
+CC(=O)N1CCN=C1SCc1ccc(C)cc1,0,0.0,
+CC(=O)N1CCN=C1SCc1ccc(Cl)cc1,0,0.0,
+CC(=O)N1CCN=C1SCc1ccc(F)cc1,0,0.0,
+CC(=O)N1CCN=C1SCc1cccc(C(F)(F)F)c1,0,0.0,
+CC(=O)N1CCN=C1SCc1ccccc1,0,0.0,
+CC(=O)N1CCN=C1SCc1ccccc1Cl,0,0.0,
+CC(=O)N1CCN=C1SCc1ccccc1F,0,0.0,
+CC(=O)N1CCc2[nH]c3ccccc3c2C1,0,0.0,
+CC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1,0,0.0,
+CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)CCC3=O)c2C(N)=O)C1,0,0.0,
+CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C#N)C1,0,0.0,
+CC(=O)N1CCc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C#N)C1,0,0.0,
+CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCCC3)c21,0,0.0,
+CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c21,0,0.0,
+CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)c21,0,0.0,
+CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCC3CCCO3)c21,0,0.0,
+CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCC(C)CC3)c21,1,100.0,0.0
+CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCCC(C)C3)c21,0,0.0,
+CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCCC3C)c21,0,0.0,
+CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccccn3)c21,0,0.0,
+CC(=O)N1CCc2cc(C(=O)CN3CCC(C)CC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(C(=O)CN3CCCCC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(C(=O)CN3CCCN(Cc4ccc(F)cc4)C3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(C(=O)CN3CCN(C(=O)c4ccco4)CC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(C(=O)CN3CCN(c4cccc(Cl)c4)CC3)ccc21,1,100.0,
+CC(=O)N1CCc2cc(C(=O)CN3CCN(c4ccccc4F)CC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(NC(=O)c3ccc(C)cc3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(NS(=O)(=O)c3cccs3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(c4ccccn4)CC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc4c(c3)OCO4)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3cccs3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc4c(c3)OCCO4)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(F)c3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)O)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NC3CCCc4ccccc43)C(C)C)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccccc3)C(C)C)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3ccc4c(c3)OCCO4)C(C)C)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3nc(C)cs3)C(C)C)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)N3CCc4ccccc4C3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)N3CCn4c3nc3ccccc34)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3cc(C(=O)O)ccc3C)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3cc(C)ccn3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3ccc4c(c3)OCCO4)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(Cc4ccccc4)CC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCc4ccccc4C3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCCc4ccccc43)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCCc3ccc(C)cc3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCCc3ccccc3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cc(C)cc(C)c3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cccc(C)c3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cccc(C)c3C)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCN(Cc4ccccc4)CC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCCOC(C)C)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCC(C)CC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21,0,0.0,
+CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3N3CCN(C)CC3)ccc21,0,0.0,
+CC(=O)N1CCc2cc3nc(C)cc(C)c3cc21,0,0.0,
+CC(=O)N1CCc2ccc(C(=O)CN3CCN(c4cccc(C)c4C)CC3)cc21,0,0.0,
+CC(=O)N1CCn2c3c(c(=O)c4cc(C)ccc42)CCC31,0,0.0,
+CC(=O)N1CN(C2CCCC2)Cc2c1sc1c2CCCC1,0,0.0,
+CC(=O)N1CN(C2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1,0,0.0,
+CC(=O)N1CN(CCCn2ccnc2)Cc2c1sc1c2CCCC1,0,0.0,
+CC(=O)N1CN(Cc2ccccn2)Cc2c1sc1c2CCCC1,0,0.0,
+CC(=O)N1CN2CN(C(C)=O)CC(C(=O)c3ccc(Br)cc3)(C2)C1,0,0.0,
+CC(=O)N1CN2CN(C(C)=O)CC(C(=O)c3ccccc3)(C2)C1,0,0.0,
+CC(=O)N1CSCC1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0.0,
+CC(=O)N1CSCC1C(=O)O,0,0.0,
+CC(=O)N1SC(N)=NC1c1ccccc1,0,0.0,
+CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)CC1C,0,0.0,
+CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCN(c3ccccn3)CC2)CC1C,0,0.0,
+CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCOCC2)CC1C,0,0.0,
+CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCC2COc3ccccc3O2)CC1C,0,0.0,
+CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCc2ccc3c(c2)OCO3)CC1C,0,0.0,
+CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCc2cccnc2)CC1C,0,0.0,
+CC(=O)N1c2ccc(S(=O)(=O)CCC(=O)O)cc2CC1C,0,0.0,
+CC(=O)N1c2ccccc2C(=O)C1N1CCCCC1,0,0.0,
+CC(=O)N1c2ccccc2C(=O)OC1c1cccnc1,0,0.0,
+CC(=O)N1c2ccccc2C(C)CC12CCCCC2,0,0.0,
+CC(=O)N1c2ccccc2N(Cc2ccc(C)cc2C)C(=O)C1(C)C,0,0.0,
+CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1ccc(F)cc1,0,0.0,
+CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1cccnc1,0,0.0,
+CC(=O)N=C(N)Sc1nc2ccccc2[nH]1,0,0.0,
+CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1c(Cl)cccc1Cl,0,0.0,
+CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(Cl)c1Cl,0,0.0,
+CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccccc1Cl,0,0.0,
+CC(=O)N=c1c(C#N)cc2c(=O)n3cccc(C)c3nc2n1CC(C)C,0,0.0,
+CC(=O)N=c1cccc(NC(C)=O)n1O,0,0.0,
+CC(=O)N=c1ncn(CC(COC(C)=O)OC(C)=O)c2nc[nH]c12,0,0.0,
+CC(=O)N=c1sc(C(C)(C)C)c(C)n1C,0,0.0,
+CC(=O)N=c1sc(S(N)(=O)=O)nn1C,0,0.0,
+CC(=O)N=c1sc2c3ccccc3ccc2n1C,0,0.0,
+CC(=O)N=c1sc2cc(C)ccc2n1C,0,0.0,
+CC(=O)N=c1sc2ccccc2n1C,0,0.0,
+CC(=O)N=c1sc2nc3ccccc3nc2n1N(C(C)=O)C(C)=O,0,0.0,
+CC(=O)NC(=O)NC1CSCC1OC(C)=O,0,0.0,
+CC(=O)NC(=O)NC1OC(=O)C(Cl)=C1Cl,0,0.0,
+CC(=O)NC(=O)Nc1sc(=S)n(C)c1C,0,0.0,
+CC(=O)NC(=S)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O,0,0.0,
+CC(=O)NC(C(=O)NCC(N)=O)C(C)C,0,0.0,
+CC(=O)NC(C)(C)C1CC=C(C)/C(=N\O)C1,0,0.0,
+CC(=O)NC(C)C(=O)OCC(=O)Nc1ccc(Br)cc1,0,0.0,
+CC(=O)NC(C)C(=O)OCC(=O)c1ccc(Cl)s1,0,0.0,
+CC(=O)NC(C)C(=O)OCc1ccc(Cl)cc1Cl,0,0.0,
+CC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+CC(=O)NC(C)C12CC3CC(CC(C(=O)O)(C3)C1)C2,0,0.0,
+CC(=O)NC(C)C12CC3CC(CC(CC(=O)O)(C3)C1)C2,0,0.0,
+CC(=O)NC(C)c1ccc(Cl)c(Cl)c1,0,0.0,
+CC(=O)NC(C)c1nc2ccccc2n1C(C)C,0,0.0,
+CC(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1F,0,0.0,
+CC(=O)NC(C1C(=O)CC(C)(C)CC1=O)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(=O)NC(CC(=O)NCC(c1ccco1)N(C)C)c1ccccc1,0,0.0,
+CC(=O)NC(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1,0,0.0,
+CC(=O)NC(CC(C)C)C(=O)NC(=O)NCc1ccccc1,0,0.0,
+CC(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(N)=O,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)N1CCc2ccccc21,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1c(C)cccc1C,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1c(F)cccc1F,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(C)ccc1C,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(C)on1,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc(C)c(F)c1,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1Cl,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc(C(C)=O)c1,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1C,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc(Cl)c1Cl,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc2ccccc12,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccccc1C,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccccc1Cl,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1nc(C)cs1,0,0.0,
+CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1nccs1,0,0.0,
+CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1,0,0.0,
+CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1cc(C)on1,0,0.0,
+CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+CC(=O)NC(Cc1cc(C)ccc1C)C(=O)N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1,0,0.0,
+CC(=O)NC(Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(c2nc(C)cc(C)n2)CC1,0,0.0,
+CC(=O)NC(Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)c2cnccn2)CC1,0,0.0,
+CC(=O)NC(Cc1ccc(F)cc1)C(=O)N1CCN(C(=O)NCc2ccccc2)CC1,0,0.0,
+CC(=O)NC(Cc1ccc(F)cc1)C(=O)O,0,0.0,
+CC(=O)NC(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CC(=O)NC(Cc1ccccc1)C(=O)N1CCN(C(=O)c2cccs2)CC1,0,0.0,
+CC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1,0,0.0,
+CC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(C(=O)c2cnccn2)CC1,0,0.0,
+CC(=O)NC(Cc1ccccc1)C(=O)O,0,0.0,
+CC(=O)NC(Cc1ccccc1C)C(=O)NC1CCN(c2c3c(nc4ncnn24)CCC3)CC1,0,0.0,
+CC(=O)NC(Cc1ccccc1F)C(=O)NC1CCN(C(=O)c2cnccn2)CC1,0,0.0,
+CC(=O)NC(Cc1cnc[nH]1)C(=O)O,0,0.0,
+CC(=O)NC(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F,0,0.0,
+CC(=O)NC(O)C(=O)c1ccccc1,0,0.0,
+CC(=O)NC(O)C(=O)c1ccco1,0,0.0,
+CC(=O)NC(c1ccccc1)c1cccnc1,0,0.0,
+CC(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1,0,0.0,
+CC(=O)NC(c1ccco1)c1ccc2cccnc2c1O,0,0.0,
+CC(=O)NC1(C(F)(F)F)C(=O)NC(C)=C1C#N,0,0.0,
+CC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1,0,0.0,
+CC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(=O)NC1(C(F)(F)F)NC(=O)N(CC(C)C)C1=O,0,0.0,
+CC(=O)NC1(C2CCCCC2=O)CCCCC1,0,0.0,
+CC(=O)NC1(NC(C)=O)CCN(C)C(c2ccccc2)C1C,0,0.0,
+CC(=O)NC1(c2cccc(F)c2)CCN(C(=O)Nc2ccc(C#N)cc2)CC1,0,0.0,
+CC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC2CCCCC2)CC1,0,0.0,
+CC(=O)NC1(c2ccccc2)CCN(Cc2nnnn2C(C)(C)C)CC1,0,0.0,
+CC(=O)NC1(c2ccccc2)CCN(c2nc(C)cc(C)n2)CC1,0,0.0,
+CC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1,0,0.0,
+CC(=O)NC12CC3CC(C)(C1)CC(NC(C)=O)(C3)C2,0,0.0,
+CC(=O)NC12CC3CC(C1)CC(C(=O)Nc1nccs1)(C3)C2,0,0.0,
+CC(=O)NC12CC3CC(C1)CC(C(=O)OCC(=O)NC(=O)c1cccn1C)(C3)C2,0,0.0,
+CC(=O)NC12CC3CC(C1)CC(C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl)(C3)C2,0,0.0,
+CC(=O)NC12CC3CC(C1)CC(C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)(C3)C2,0,0.0,
+CC(=O)NC12CC3CC(C1)CC(C(=O)OCC(=O)c1ccc4c(c1)OCCO4)(C3)C2,0,0.0,
+CC(=O)NC1=NC(=O)/C(=C/N2CCCCC2)S1,0,0.0,
+CC(=O)NC1=NC(=O)/C(=C/N2CCOCC2)S1,0,0.0,
+CC(=O)NC1C(=O)N(CCc2ccccc2)c2ccccc21,0,0.0,
+CC(=O)NC1C(=O)N=C(SCC(=O)NC(C)c2ccccc2)NC1=O,0,0.0,
+CC(=O)NC1C(=O)N=C(SCC(=O)NC2CCCCC2)NC1=O,0,0.0,
+CC(=O)NC1C(=O)N=C(SCC(=O)NCc2ccccc2)NC1=O,0,0.0,
+CC(=O)NC1C(=O)Nc2c1cccc2C(F)(F)F,0,0.0,
+CC(=O)NC1C(=O)SC1(C)C,0,0.0,
+CC(=O)NC1C2CN3CCN(C2)CC1(Cc1ccccc1)C3,0,0.0,
+CC(=O)NC1CC(C)(C)N(OC(C)=O)C(C)(C)C1,0,0.0,
+CC(=O)NC1CC2CCC(C1)N2,0,0.0,
+CC(=O)NC1CC2CCC(C1)N2Cc1ccc(C)cc1,0,0.0,
+CC(=O)NC1CC2CCCC(C1)N2,0,0.0,
+CC(=O)NC1CC2CCCC(C1)N2C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,0,0.0,
+CC(=O)NC1CC2CCCC(C1)N2CC(=O)N1CCCc2ccccc21,0,0.0,
+CC(=O)NC1CC2CCCC(C1)N2CC(=O)NCc1ccc(F)cc1,0,0.0,
+CC(=O)NC1CC2CCCC(C1)N2CC(=O)Nc1ccccc1,0,0.0,
+CC(=O)NC1CC2CCCC(C1)N2S(=O)(=O)c1cccc(F)c1,0,0.0,
+CC(=O)NC1CCC(C(=O)O)(c2ccccc2)C1,0,0.0,
+CC(=O)NC1CCN(C(=O)N2CCCC2)CC1,0,0.0,
+CC(=O)NC1CSCC1OC(C)=O,0,0.0,
+CC(=O)NC1N=C(C)N(c2ccccc2)C1=O,0,0.0,
+CC(=O)NC1Sc2ccccc2N=C1c1ccccc1,0,0.0,
+CC(=O)NCC(=O)N(C)C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1,0,0.0,
+CC(=O)NCC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1,0,0.0,
+CC(=O)NCC(=O)N(c1c(C)n(C)n(-c2ccccc2)c1=O)C1(C(=O)NC2CCCC2)CCCCC1,0,0.0,
+CC(=O)NCC(=O)N(c1ccccc1)C1(C(=O)NC2CCCCC2)CCCCC1,0,0.0,
+CC(=O)NCC(=O)NC(C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C)cc1,0,0.0,
+CC(=O)NCC(=O)NC1(C(=O)NC2CCCC2)CCCCC1,0,0.0,
+CC(=O)NCC(=O)OC(C)C(=O)Nc1ccc(C(C)=O)cc1,0,0.0,
+CC(=O)NCC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1,0,0.0,
+CC(=O)NCC(=O)OCC(=O)c1ccc(C)c(C)c1,0,0.0,
+CC(=O)NCC(=O)OCC(=O)c1ccc(C)cc1,0,0.0,
+CC(=O)NCC(=O)OCN1C(=O)c2ccccc2C1=O,0,0.0,
+CC(=O)NCC12CC3CC(C1)CC(C(=O)O)(C3)C2,0,0.0,
+CC(=O)NCC1=C(NC(C)=O)C2CC1C(C)(C)C2C,0,0.0,
+CC(=O)NCCC(=O)Nc1ccc(C)c(F)c1,0,0.0,
+CC(=O)NCCC(=O)OCC(=O)c1cc(C)c(C)cc1C,0,0.0,
+CC(=O)NCCC(Cc1ccccc1)c1ccco1,0,0.0,
+CC(=O)NCCCCCCNC(C)=O,0,0.0,
+CC(=O)NCCCc1c[nH]c2ccc(Cl)cc12,0,0.0,
+CC(=O)NCCN=C(C)c1sc2ccccc2c1O,0,0.0,
+CC(=O)NCCN=Cc1sc2ccccc2c1O,0,0.0,
+CC(=O)NCCOC(=O)Nc1cccnc1,0,0.0,
+CC(=O)NCCOC(=O)Nc1ccncc1,0,0.0,
+CC(=O)NCCOc1c(C)cc(S(N)(=O)=O)cc1C,0,0.0,
+CC(=O)NCCOc1ccc(C(=O)O)cc1,0,0.0,
+CC(=O)NCCOc1ccc2oc3ccccc3c2c1,0,0.0,
+CC(=O)NCCOc1cccc(OCCNC(C)=O)c1,0,0.0,
+CC(=O)NCCOc1cccc2ccccc12,0,0.0,
+CC(=O)NCCOc1nc(N(C)C)nc(N(C)C)n1,0,0.0,
+CC(=O)NCCOc1nc(N(C)C)nc(N2CCOCC2)n1,0,0.0,
+CC(=O)NCCSC(=O)c1ccc(F)cc1,0,0.0,
+CC(=O)NCCSCCNC(C)=O,0,0.0,
+CC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O,0,0.0,
+CC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O,0,0.0,
+CC(=O)NCCc1cc2ccc(C)cc2[nH]c1=O,0,0.0,
+CC(=O)NCCc1ccc(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+CC(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CC(=O)NCCc1ccc(S(=O)(=O)NC2OC(=O)c3ccccc32)cc1,0,0.0,
+CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccnc2)cc1,0,0.0,
+CC(=O)NCCc1csc(-c2ccccc2)n1,0,0.0,
+CC(=O)NCCc1nc2ccccc2[nH]1,0,0.0,
+CC(=O)NCCc1nc2ccccc2n1Cc1ccccc1,0,0.0,
+CC(=O)NCCn1c(C)cc2ccccc21,0,0.0,
+CC(=O)NCCn1c(SCC#N)nc2ccccc2c1=O,0,0.0,
+CC(=O)NCCn1c(SCC(=O)NCC2CCCO2)nc2ccccc2c1=O,0,0.0,
+CC(=O)NCCn1c(SCC(=O)NCCC2=CCCCC2)nc2ccccc2c1=O,0,0.0,
+CC(=O)NCCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O,0,0.0,
+CC(=O)NCCn1c(SCC(=O)OCc2ccccc2)nc2ccccc2c1=O,0,0.0,
+CC(=O)NCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O,0,0.0,
+CC(=O)NCCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2ccccc2c1=O,0,0.0,
+CC(=O)NCCn1c(SCc2ccccc2F)nc2ccccc2c1=O,0,0.0,
+CC(=O)NCCn1ccc2ccccc21,0,0.0,
+CC(=O)NCN1CCN(CNC(C)=O)CC1,0,0.0,
+CC(=O)NCc1ccc(-c2csc(N)n2)s1,0,0.0,
+CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)o1,0,0.0,
+CC(=O)NCc1cccc(CNC(C)=O)n1,0,0.0,
+CC(=O)NCc1cn2c(C)csc2n1,0,0.0,
+CC(=O)NCc1nc2ccccc2n1C(C)C,0,0.0,
+CC(=O)NCc1nc2ccccc2n1Cc1ccccc1C,0,0.0,
+CC(=O)NCc1nc2ccccc2n1Cc1ccccc1F,0,0.0,
+CC(=O)NS(=O)(=O)c1ccc(N)cc1,0,0.0,
+CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCC2CCCC2)cc1,0,0.0,
+CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1,0,0.0,
+CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+CC(=O)NS(=O)(=O)c1ccccc1,0,0.0,
+CC(=O)N[C@@H](CS)C(=O)O,0,0.0,
+CC(=O)N[C@H]1C[C@@H]1c1ccccc1,0,0.0,
+CC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn12,0,0.0,
+CC(=O)Nc1c(-c2ccccc2)nc2ncccn12,0,0.0,
+CC(=O)Nc1c(C#N)c(C(C)(C)C)cn1C,0,0.0,
+CC(=O)Nc1c(C(=O)C2CC2)oc2ccccc12,0,0.0,
+CC(=O)Nc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1ccccc1Cl,0,0.0,
+CC(=O)Nc1c(C(=O)N2CCOCC2)sc2nc3c(cc12)COC(C)(C)C3,0,0.0,
+CC(=O)Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1,0,0.0,
+CC(=O)Nc1c(C(=O)O)[nH]c2ccccc12,0,0.0,
+CC(=O)Nc1c(C(=O)O)oc2ccc(Cl)cc12,0,0.0,
+CC(=O)Nc1c(C(=O)O)oc2ccccc12,0,0.0,
+CC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12,0,0.0,
+CC(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12,0,0.0,
+CC(=O)Nc1c(Cl)n(C(C)=O)c2ccccc12,0,0.0,
+CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,0,0.0,
+CC(=O)Nc1c(O)[nH]c2ccccc12,0,0.0,
+CC(=O)Nc1c(O)n(C)c2ccccc12,0,0.0,
+CC(=O)Nc1c(O)nc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O,0,0.0,
+CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccc(C(C)=O)cc2)[nH]c1=O,0,0.0,
+CC(=O)Nc1c(O)nc(SCC(=O)Nc2nnc(CC(C)C)s2)[nH]c1=O,0,0.0,
+CC(=O)Nc1c(OC(C)=O)ccc2c(C)cc(=O)oc12,0,0.0,
+CC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2,1,100.0,0.0
+CC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S+]([O-])C2,0,0.0,
+CC(=O)Nc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2,0,0.0,
+CC(=O)Nc1cc(-c2ccccc2)ccc1O,0,0.0,
+CC(=O)Nc1cc(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc23)ccc1N1CCOCC1,0,0.0,
+CC(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C,0,0.0,
+CC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CC(=O)Nc1cc(C(=O)N2CCCC2)ccc1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CC(=O)Nc1cc(C(=O)N2CCOCC2)ccc1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CC(=O)Nc1cc(C(=O)O)ccc1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CC(=O)Nc1cc(C(=O)O)ccc1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CC(=O)Nc1cc(C(=O)c2ccccc2)ccc1N1CCOCC1,0,0.0,
+CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+CC(=O)Nc1cc(C(F)(F)F)ccc1OCC1CCCO1,0,0.0,
+CC(=O)Nc1cc(C(N)=O)c(Cl)cc1Cl,0,0.0,
+CC(=O)Nc1cc(N2C(=O)CCC2=O)ccc1Cl,0,0.0,
+CC(=O)Nc1cc(NC(=O)C2C3C=CC(C3)C2C(=O)O)ccc1Cl,0,0.0,
+CC(=O)Nc1cc(NC(=O)CCCC(=O)O)ccc1Cl,0,0.0,
+CC(=O)Nc1cc(NC(C)=O)c(CC(C)C)s1,0,0.0,
+CC(=O)Nc1cc(NC(C)=O)c2nc(N)sc2c1,0,0.0,
+CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC(C)(C)C)c1,0,0.0,
+CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)N2CC(C)OC(C)C2)c1,0,0.0,
+CC(=O)Nc1cc(OC(=O)c2ccco2)cc(OC(=O)c2ccco2)c1,0,0.0,
+CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O,0,0.0,
+CC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1Cl,0,0.0,
+CC(=O)Nc1cc2c(=O)n(Cc3ccccc3)c(C)nc2cc1N1CCOCC1,0,0.0,
+CC(=O)Nc1cc2c(cc1Br)OCCO2,0,0.0,
+CC(=O)Nc1cc2c(cc1C(=O)C(C)C)OCCO2,0,0.0,
+CC(=O)Nc1cc2c(cc1C(=O)c1ccc(C)cc1)OCCO2,0,0.0,
+CC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2,0,0.0,
+CC(=O)Nc1cc2c(cc1C(C)=O)OCCO2,0,0.0,
+CC(=O)Nc1cc2c(cc1NC(=O)Cn1nc(-c3ccccc3F)ccc1=O)OCCO2,0,0.0,
+CC(=O)Nc1cc2c(cc1NC(=O)c1cnccn1)OCCO2,0,0.0,
+CC(=O)Nc1cc2c(nc1C)nc(C)n2Cc1ccc(Br)cc1,0,0.0,
+CC(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O,0,0.0,
+CC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl,0,0.0,
+CC(=O)Nc1ccc(-c2cc(NC(C)=O)n(-c3ccccc3)n2)cc1,0,0.0,
+CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1,0,0.0,
+CC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1,0,0.0,
+CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1,0,0.0,
+CC(=O)Nc1ccc(-c2nc3c(C)cccc3[nH]2)cc1,0,0.0,
+CC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1C,0,0.0,
+CC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl,0,0.0,
+CC(=O)Nc1ccc(-c2nnc(SCC(=O)n3c4c(c5ccccc53)CCCC4)n2C)cc1,0,0.0,
+CC(=O)Nc1ccc(-c2nnn(CC(=O)c3ccccc3)n2)cc1Cl,0,0.0,
+CC(=O)Nc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1,0,0.0,
+CC(=O)Nc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)CS(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC2)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)CSc2ncn(-c3ccccc3)n2)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)n2CC2CCCO2)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)CSc2nnc(C)o2)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)CSc2nnnn2C(C)C)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)Cn2nnc3ccccc3c2=O)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)OC2CCOC2=O)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)OCCC(C)C)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(C(=O)n2nc(C)cc2C)cc1,0,0.0,
+CC(=O)Nc1ccc(C)cc1NC(C)=O,0,0.0,
+CC(=O)Nc1ccc(C2(O)COc3ccccc3O2)cc1,0,0.0,
+CC(=O)Nc1ccc(C2NC(=O)c3ccccc3O2)cc1,0,0.0,
+CC(=O)Nc1ccc(C2Nc3ccccc3C(=O)N2C2CCCCC2)cc1,0,0.0,
+CC(=O)Nc1ccc(CN2CCCCCCC2)cc1,1,100.0,1.0
+CC(=O)Nc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(Cc2ccncc2)cc1,0,0.0,
+CC(=O)Nc1ccc(Cl)c(C(N)=O)c1,0,0.0,
+CC(=O)Nc1ccc(Cl)cc1C(=O)O,0,0.0,
+CC(=O)Nc1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(N/C=C/C(=O)C(C)(C)C)cc1,0,0.0,
+CC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(C)o2)cc1,0,0.0,
+CC(=O)Nc1ccc(N/C=C/C(=O)c2ccco2)cc1,0,0.0,
+CC(=O)Nc1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1,0,0.0,
+CC(=O)Nc1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(N2CCOCC2)c(C(=O)Nc2cccc(C)c2)c1,0,0.0,
+CC(=O)Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,0,0.0,
+CC(=O)Nc1ccc(N=Cc2ccc[nH]2)cc1,0,0.0,
+CC(=O)Nc1ccc(N=Cc2nc(-c3ccc(C)cc3)oc2O)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2F)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)C2CCCN(c3nnc(-n4cccc4)s3)C2)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)CCC(=O)NCCO)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)CN2CCCC(C)C2)c(Cl)c1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)CSC2=NCCS2)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)Cn2c(CC(=O)N3CCCC3)nc3ccccc32)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)Oc2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1,0,0.0,
+CC(=O)Nc1ccc(NC(C)=O)s1,0,0.0,
+CC(=O)Nc1ccc(NC2(C)C(=O)c3ccccc3C2=O)cc1,0,0.0,
+CC(=O)Nc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1,0,0.0,
+CC(=O)Nc1ccc(NCC(O)COc2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1,0,0.0,
+CC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1,0,0.0,
+CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1,0,0.0,
+CC(=O)Nc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1,0,0.0,
+CC(=O)Nc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1,0,0.0,
+CC(=O)Nc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(OC(=O)C(CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+CC(=O)Nc1ccc(OC(=O)CC2SC(=O)NC2=O)cc1,0,0.0,
+CC(=O)Nc1ccc(OC(=O)N(C)C)cc1,0,0.0,
+CC(=O)Nc1ccc(OC(=O)N(C)c2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(OC(=O)N2CCCCC2)cc1,0,0.0,
+CC(=O)Nc1ccc(OC(=O)c2ccccc2N)cc1,0,0.0,
+CC(=O)Nc1ccc(OC(=O)c2cccnc2)cc1,0,0.0,
+CC(=O)Nc1ccc(OC(=O)c2cccs2)cc1,0,0.0,
+CC(=O)Nc1ccc(OC(F)(F)C(F)C(F)(F)F)c(NC(C)=O)c1,0,0.0,
+CC(=O)Nc1ccc(OC/C=C(\C)Cl)cc1,0,0.0,
+CC(=O)Nc1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(OCC(O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(C)c(Cl)c3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(OCC(O)Cn2nc(C)c(C(C)=O)c2C)cc1,0,0.0,
+CC(=O)Nc1ccc(OCC(O)Cn2nc(C)nc2C)cc1,0,0.0,
+CC(=O)Nc1ccc(OCC=C(Cl)Cl)cc1,0,0.0,
+CC(=O)Nc1ccc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)cc1,0,0.0,
+CC(=O)Nc1ccc(Oc2ccc3nc(C)[nH]c3c2)cc1,0,0.0,
+CC(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)/N=C2\SCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)CCC#N)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2=NCCS2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2N2CCOCC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N(C)S(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(O)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N(C2=NCC(C)S2)c2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccco2)CC2CCCO2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2C3CCCC2CC(NC(=O)C2CCCCC2)C3)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N(C)CCC(C)C)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)C(Cc3cccn3C)NC(C)=O)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccco3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(C)=O)(c3cccc(F)c3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCCC3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(C)CCc3ccccc3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1,1,100.0,0.0
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CCCCCCC3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CCCC3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCCOc3cc(C)ccc3C)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc4ccccc34)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(NC4CCCC4)c4ccccc4n3)CC2)cc1,1,100.0,1.0
+CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2C)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2C(=O)O)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(C)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccccc2Cl)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N2CCSCC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NC(C(=O)O)C2=CCC=CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)N(C)Cc2ccccc2)C(C)C)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)NC2CCCCC2C)C(C)C)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)NCCC2=CCCCC2)C(C)C)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)NCCCN2CCOCC2)C(C)C)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccc(OC(C)C)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NC2=NCN(CCOC(=O)c3ccccc3)CN2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCC(C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCCCCC3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCC(C)C)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCCN3CCCC3=O)CC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2F)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(C)n2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN3CCCCCC3)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c(-n3nc4ccccc4n3)cc2O)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Sc2nncn2C)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3n(n2)C(c2ccccc2)CC(=O)N3)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C3Cc4ccccc4C(=O)O3)n2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1N,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)n2cnc(C)c2)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1,0,0.0,
+CC(=O)Nc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1,0,0.0,
+CC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2ccc(C)cc2)cc1,0,0.0,
+CC(=O)Nc1ccc(SCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1,0,0.0,
+CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1,0,0.0,
+CC(=O)Nc1ccc2[nH]c3ccccc3c2c1,0,0.0,
+CC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,0,0.0,
+CC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)C1CCCN21,0,0.0,
+CC(=O)Nc1ccc2c(c1)CCC2=O,0,0.0,
+CC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1,0,0.0,
+CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C,0,0.0,
+CC(=O)Nc1ccc2c(c1)nc(CCN1CCN(C)CC1)n2C,0,0.0,
+CC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C,0,0.0,
+CC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccccc1)n2C,0,0.0,
+CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1,0,0.0,
+CC(=O)Nc1ccc2nc(-c3cccnc3)[nH]c2c1,0,0.0,
+CC(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1,0,0.0,
+CC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1,0,0.0,
+CC(=O)Nc1ccc2nc(SCC(=O)O)sc2c1,0,0.0,
+CC(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1,0,0.0,
+CC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1,0,0.0,
+CC(=O)Nc1cccc(-c2cnc3ccccc3n2)c1,0,0.0,
+CC(=O)Nc1cccc(-c2csc(NCc3ccco3)n2)c1,0,0.0,
+CC(=O)Nc1cccc(-c2nc3ccc(NC(C)=O)cc3[nH]2)c1,0,0.0,
+CC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1,0,0.0,
+CC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1,0,0.0,
+CC(=O)Nc1cccc(-c2nnc(SCC(=O)N3CCCCC3)n2C)c1,0,0.0,
+CC(=O)Nc1cccc(-c2nnc(SCc3ccccc3C#N)n2C)c1,0,0.0,
+CC(=O)Nc1cccc(-c2nnc3n2CC(C)S3)c1,0,0.0,
+CC(=O)Nc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1,0,0.0,
+CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1,0,0.0,
+CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1,0,0.0,
+CC(=O)Nc1cccc(C(=O)Oc2cccc(C)c2)c1O,0,0.0,
+CC(=O)Nc1cccc(Cl)c1C(=O)O,0,0.0,
+CC(=O)Nc1cccc(Cn2cccn2)c1,0,0.0,
+CC(=O)Nc1cccc(N(C)C)c1,0,0.0,
+CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1,0,0.0,
+CC(=O)Nc1cccc(N2C(=O)CC(Cc3ccccc3)C2=O)c1,0,0.0,
+CC(=O)Nc1cccc(N2C(=O)CC(N3CCC(C(=O)N4CCCCC4)CC3)C2=O)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)C2CC3CCC2C3)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(C)cc2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(C)c2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(F)c2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2C)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)CCCC(=O)O)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)CCn2c(=O)sc3ccccc32)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)c1,1,100.0,0.0
+CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C(C)C)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)Nc2ccc(C(C)=O)cc2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)c2cc(C)on2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)c2ccc(C)o2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)c2ccco2)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)c2oc3ccccc3c2C)c1,0,0.0,
+CC(=O)Nc1cccc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)c1,0,0.0,
+CC(=O)Nc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1,0,0.0,
+CC(=O)Nc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+CC(=O)Nc1cccc(NS(C)(=O)=O)c1,0,0.0,
+CC(=O)Nc1cccc(OC(=O)N2CCCCC2)c1,0,0.0,
+CC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1,0,0.0,
+CC(=O)Nc1cccc(OC(=O)c2ccoc2C)c1,0,0.0,
+CC(=O)Nc1cccc(OCC(=O)NS(=O)(=O)c2ccc(C)cc2)c1,0,0.0,
+CC(=O)Nc1cccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1,0,0.0,
+CC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1,0,0.0,
+CC(=O)Nc1cccc(OCC(O)Cn2cnc3ccccc32)c1,0,0.0,
+CC(=O)Nc1cccc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)c1,0,0.0,
+CC(=O)Nc1cccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)c1,0,0.0,
+CC(=O)Nc1cccc(Oc2ccc(-c3noc(C)n3)cc2)c1,0,0.0,
+CC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CCC(=O)O)C3=O)c1,0,0.0,
+CC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1,0,0.0,
+CC(=O)Nc1cccc2c1C(=O)NC2=O,0,0.0,
+CC(=O)Nc1cccc2c1OCCO2,0,0.0,
+CC(=O)Nc1cccc2c1[n+]([O-])c(C)c(C)[n+]2[O-],0,0.0,
+CC(=O)Nc1ccccc1-c1ccc(C)o1,0,0.0,
+CC(=O)Nc1ccccc1-c1nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2[nH]c1=O,0,0.0,
+CC(=O)Nc1ccccc1C(=O)N1CC(C)OC(C)C1,0,0.0,
+CC(=O)Nc1ccccc1C(=O)N1CC2(C)CC1CC(C)(C)C2,0,0.0,
+CC(=O)Nc1ccccc1C(=O)N1CCc2ccccc21,0,0.0,
+CC(=O)Nc1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CC(=O)Nc1ccccc1NC(=O)C(F)(F)F,1,100.0,
+CC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(C)cc1,0,0.0,
+CC(=O)Nc1ccccc1O,0,0.0,
+CC(=O)Nc1ccccc1OC(=O)N(C)C,0,0.0,
+CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C,0,0.0,
+CC(=O)Nc1ccccc1OCC(=O)c1ccc2c(c1)OCO2,0,0.0,
+CC(=O)Nc1ccccc1OCc1nnc(-c2cccs2)o1,0,0.0,
+CC(=O)Nc1ccccc1OP1(=O)COc2ccccc2OC1,0,0.0,
+CC(=O)Nc1ccccc1Sc1ccccc1,0,0.0,
+CC(=O)Nc1ccn(-c2ccccc2)n1,0,0.0,
+CC(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1,0,0.0,
+CC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C,0,0.0,
+CC(=O)Nc1cnc2ccccc2n1,0,0.0,
+CC(=O)Nc1cnn(Cc2ccc(Br)cc2)c1,0,0.0,
+CC(=O)Nc1coc2ccc(Br)cc12,0,0.0,
+CC(=O)Nc1n[nH]c(S(=O)(=O)Cc2ccc(Cl)cc2Cl)n1,0,0.0,
+CC(=O)Nc1nc(-c2ccc(Br)s2)cs1,0,0.0,
+CC(=O)Nc1nc(-c2ccc(Cl)cc2)nc(C)c1C(C)=O,0,0.0,
+CC(=O)Nc1nc(-c2ccccc2)nc(-c2ccccc2OC(C)=O)n1,0,0.0,
+CC(=O)Nc1nc(-c2ccccc2)nc(C)c1C(C)=O,0,0.0,
+CC(=O)Nc1nc(-c2cccs2)cs1,0,0.0,
+CC(=O)Nc1nc(=O)c2ccccc2s1,0,0.0,
+CC(=O)Nc1nc(=S)n(-c2ccccc2)[nH]1,0,0.0,
+CC(=O)Nc1nc(=S)ss1,0,0.0,
+CC(=O)Nc1nc(C(=O)Nc2c(C)n[nH]c2C)cs1,1,100.0,0.0
+CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(O)cc3)n2)s1,1,100.0,
+CC(=O)Nc1nc(C)c(Cc2ccccc2)c(=O)[nH]1,0,0.0,
+CC(=O)Nc1nc(C)c(Oc2ccccc2)c(=O)[nH]1,0,0.0,
+CC(=O)Nc1nc(C)c(S(N)(=O)=O)s1,0,0.0,
+CC(=O)Nc1nc(C)nc(-c2ccccc2)c1C(C)=O,0,0.0,
+CC(=O)Nc1nc(C)nc(-c2ccccc2OC(C)=O)n1,0,0.0,
+CC(=O)Nc1nc(C)nc(C)c1C(C)=O,0,0.0,
+CC(=O)Nc1nc(C=C(Cl)Cl)cs1,0,0.0,
+CC(=O)Nc1nc(CC(=O)c2ccccc2)cs1,0,0.0,
+CC(=O)Nc1nc(CC(C)C)cc(-c2ccco2)c1C#N,0,0.0,
+CC(=O)Nc1nc(CC(C)C)cc2c1c(=O)oc1ccccc12,0,0.0,
+CC(=O)Nc1nc(CCC(C)C)cc2c1c(=O)oc1ccccc12,0,0.0,
+CC(=O)Nc1nc(COc2ccccc2)cs1,0,0.0,
+CC(=O)Nc1nc(N2C(=O)c3ccccc3C2=O)n(-c2ccccc2)n1,0,0.0,
+CC(=O)Nc1nc(SCCCc2ccccc2)n[nH]1,0,0.0,
+CC(=O)Nc1nc2c(F)cccc2s1,0,0.0,
+CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CC(C)CC2,0,0.0,
+CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CCCC2,0,0.0,
+CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CCCCC2,0,0.0,
+CC(=O)Nc1nc2c(ncn2COCCOC(C)=O)c(=O)[nH]1,0,0.0,
+CC(=O)Nc1nc2cc3c(cc2s1)OCO3,0,0.0,
+CC(=O)Nc1nc2ccc(-c3nc4ccccc4o3)cc2s1,0,0.0,
+CC(=O)Nc1nc2ccc(Br)cc2s1,0,0.0,
+CC(=O)Nc1nc2ccccc2n1CCN(C)C,0,0.0,
+CC(=O)Nc1nc2ccccc2n1CCN1CCOCC1,0,0.0,
+CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1,0,0.0,
+CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1Cl,0,0.0,
+CC(=O)Nc1nc2ccccc2n1Cc1ccccc1C,0,0.0,
+CC(=O)Nc1nc2n(n1)C(c1ccc(Cl)cc1)C=C(C)N2,1,100.0,
+CC(=O)Nc1nc2n(n1)C(c1ccc(F)cc1)C=C(c1ccccc1)N2,0,0.0,
+CC(=O)Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2,0,0.0,
+CC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12,0,0.0,
+CC(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1,0,0.0,
+CC(=O)Nc1nnc(C)s1,0,0.0,
+CC(=O)Nc1nnc(Cc2ccccc2)s1,0,0.0,
+CC(=O)Nc1nnc(S(N)(=O)=O)s1,0,0.0,
+CC(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1,0,0.0,
+CC(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1,0,0.0,
+CC(=O)Nc1nnc(SCC(=O)NCCOc2ccccc2)s1,0,0.0,
+CC(=O)Nc1nnc(SCc2cccc(F)c2)s1,0,0.0,
+CC(=O)Nc1nonc1-c1ccccc1,0,0.0,
+CC(=O)Nc1nonc1-c1nc2ccccc2n1CC1CC1,0,0.0,
+CC(=O)Nc1nonc1-c1nc2ccccc2n1CCC#N,0,0.0,
+CC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C,0,0.0,
+CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccn1,0,0.0,
+CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1nnc(C)o1,0,0.0,
+CC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(C)=O)C(C)=O,0,0.0,
+CC(=O)Nc1nonc1-n1nnc(C(=O)NCc2ccccc2)c1C,0,0.0,
+CC(=O)Nc1nonc1C(=O)N1CCC(C)CC1,0,0.0,
+CC(=O)Nc1nonc1NC(=O)CSC1=NCCS1,0,0.0,
+CC(=O)Nc1nonc1NC(=O)CSc1ccccn1,0,0.0,
+CC(=O)Nc1nonc1NC(=O)CSc1nc2ccccc2o1,0,0.0,
+CC(=O)Nc1nonc1NC(=O)CSc1ncn[nH]1,0,0.0,
+CC(=O)Nc1nonc1NC(C)=O,0,0.0,
+CC(=O)Nc1sc(C)c(C)c1CN1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CC(=O)Nc1sc(N)nc1-c1ccccc1,0,0.0,
+CC(=O)Nc1sc(NC(=O)c2ccccc2)nc1-c1cccs1,0,0.0,
+CC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C,0,0.0,
+CC(=O)Nc1sc2c(c1C#N)CCCCC2,0,0.0,
+CC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2,0,0.0,
+CC(=O)Nc1sc2c(c1C(c1cccs1)N1CCOCC1)CCCC2,0,0.0,
+CC(=O)Nc1sc2c(c1CN1CCN(c3ccccn3)CC1)CCCC2,0,0.0,
+CC(=O)Nn1c(-c2ccccc2)cc2ccccc21,0,0.0,
+CC(=O)Nn1c(C)nnc1-n1nc(C)cc1C,0,0.0,
+CC(=O)Nn1c(COc2ccccc2C)nc2ccccc2c1=O,0,0.0,
+CC(=O)Nn1cc2c(=O)n(C)c(=O)n(C)c2c1,0,0.0,
+CC(=O)Nn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C,0,0.0,
+CC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,0,0.0,
+CC(=O)OC(/C(O)=C(\C#N)c1nc2ccccc2[nH]1)c1ccccc1,0,0.0,
+CC(=O)OC(C#CCN1CCOCC1)c1ccccc1,0,0.0,
+CC(=O)OC(C(=O)NC1CCCCC1)c1ccc(C#N)cc1,0,0.0,
+CC(=O)OC(C(=O)NC1CCCCC1)c1ccc(C)cc1,0,0.0,
+CC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1,0,0.0,
+CC(=O)OC(C(=O)NC1CCCCC1)c1ccncc1,0,0.0,
+CC(=O)OC(C(=O)NCCc1ccccc1)c1cccnc1,0,0.0,
+CC(=O)OC(C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1cccnc1,0,0.0,
+CC(=O)OC(C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1Cl,0,0.0,
+CC(=O)OC(C(=O)NCc1ccco1)c1cccnc1,1,100.0,0.0
+CC(=O)OC(C(=O)NCc1ccco1)c1ccncc1,0,0.0,
+CC(=O)OC(C(=O)Nc1ccccc1)C(C)S(=O)(=O)c1ccccc1,0,0.0,
+CC(=O)OC(C(=O)n1nc(C)cc1C)c1ccccc1,0,0.0,
+CC(=O)OC(C)(CCC(C)(OC(C)=O)C(C)=O)C(C)=O,0,0.0,
+CC(=O)OC(C)C[N+](C)(C)C,1,100.0,
+CC(=O)OC(Cn1ccnc1)c1ccccc1,0,0.0,
+CC(=O)OC(Cn1nc(C)cc1C)c1ccccc1,0,0.0,
+CC(=O)OC1(C(F)(F)F)Oc2ccccc2NC1=O,0,0.0,
+CC(=O)OC1(Cc2ccccc2)CN2CCC1c1ccccc12,0,0.0,
+CC(=O)OC1(c2ccc(C)cc2)CN2CCC1c1ccccc12,0,0.0,
+CC(=O)OC1(c2ccccc2)CCN(C)C2CCCCC21,0,0.0,
+CC(=O)OC12CC3CC(C1)C(=NO)C(C3)C2,0,0.0,
+CC(=O)OC1=C(C#N)Cn2ccc3cccc1c32,0,0.0,
+CC(=O)OC1C(OC(C)=O)N(C(C)=O)C(=O)N1C(C)=O,1,100.0,
+CC(=O)OC1C2CCCC1C(N1CCCC1)CC2,0,0.0,
+CC(=O)OC1CC(C)(C)N(OC(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)(C)C1,0,0.0,
+CC(=O)OC1CC(C)(C)N(OC(=O)c2ccc(N)cc2)C(C)(C)C1,0,0.0,
+CC(=O)OC1CC(C)(C)N(OC(=O)c2ccccc2)C(C)(C)C1,0,0.0,
+CC(=O)OC1CC(C)N(C(=O)c2ccccc2)c2ccc(C)cc21,0,0.0,
+CC(=O)OC1CC2(C)C(=O)CCC2C2CCc3cc(O)ccc3C12,0,0.0,
+CC(=O)OC1CCC(OC(C)=O)c2c1n([O-])c(C)c(C)[n+]2=O,0,0.0,
+CC(=O)OC1COC(n2ccc3ccccc32)C(OC(C)=O)C1OC(C)=O,0,0.0,
+CC(=O)OC1CSc2nc3ccccc3n2C1,0,0.0,
+CC(=O)OC1N=C(c2ccccc2)c2ccccc2NC1=O,0,0.0,
+CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C,0,0.0,
+CC(=O)OC1c2ccccc2C(=O)N1Cc1ccccc1Cl,0,0.0,
+CC(=O)OC1c2ccccc2C(=O)N1c1ccccc1C,0,0.0,
+CC(=O)OCC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl,0,0.0,
+CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C,0,0.0,
+CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,0,0.0,
+CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,0,0.0,
+CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,0,0.0,
+CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,0,0.0,
+CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,1,100.0,0.0
+CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,0,0.0,
+CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,0,0.0,
+CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0,0.0,
+CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0,0.0,
+CC(=O)OCC(=O)c1ccc2ccn(C(C)=O)c2c1,0,0.0,
+CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)Nc1ccc(C)cc1,0,0.0,
+CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)Nc1ccc(C)cc1C,0,0.0,
+CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)Nc1ccccc1C,0,0.0,
+CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1,0,0.0,
+CC(=O)OCC1OC(c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,0,0.0,
+CC(=O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O,0,0.0,
+CC(=O)OCCCCON1C(=O)c2ccccc2C1=O,0,0.0,
+CC(=O)OCCCN1C(=O)c2ccc(Br)cc2C1=O,0,0.0,
+CC(=O)OCCN(CCOC(C)=O)c1c(C)[nH]c(=O)[nH]c1=O,0,0.0,
+CC(=O)OCCN(Cc1ccccc1)Cc1ccc2c(c1)OCO2,0,0.0,
+CC(=O)OCCN1C(=O)c2cccnc2C1=O,0,0.0,
+CC(=O)OCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(=O)OCCNC(=O)c1cc2ccccc2oc1=O,0,0.0,
+CC(=O)OCCNc1cc(N2CCN(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3,0,0.0,
+CC(=O)OCCOc1nc(N(C)C)nc(N(C)C)n1,0,0.0,
+CC(=O)OCC[N+](C)(C)C,1,100.0,
+CC(=O)OCCn1c(=O)c2cc3c(=O)n(CCOC(C)=O)c(=O)c3cc2c1=O,0,0.0,
+CC(=O)OCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(=O)OCN(C#N)c1nc(N(C)C)nc(N(C)C)n1,0,0.0,
+CC(=O)OCP(C)(=O)COC(C)=O,0,0.0,
+CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)C(OC(C)=O)C1OC(C)=O,0,0.0,
+CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,1,100.0,0.0
+CC(=O)OCc1c(COC(C)=O)[n+](=O)c2ccccc2n1[O-],1,100.0,0.0
+CC(=O)OCc1c(F)c(F)c(-n2nc(C)cc2C)c(F)c1F,0,0.0,
+CC(=O)OCc1cc(=O)n(C)c(=O)n1C,0,0.0,
+CC(=O)OCc1cc2cc(C)ccc2[nH]c1=O,0,0.0,
+CC(=O)OCc1cc2cccc(C)c2[nH]c1=O,0,0.0,
+CC(=O)OCn1nnc2ccccc2c1=O,0,0.0,
+CC(=O)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C,0,0.0,
+CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C,0,0.0,
+CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O,0,0.0,
+CC(=O)O[C@H]1CSC[C@H]1NC(=O)c1ccccc1,0,0.0,
+CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1,0,0.0,
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,0,0.0,
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,0,0.0,
+CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,0,0.0,
+CC(=O)Oc1c(C)cc(O)c2ccccc12,0,0.0,
+CC(=O)Oc1c(Cl)c(N2CCOCC2)c(OC(C)=O)c2ccccc12,0,0.0,
+CC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1-c1ccccc1,0,0.0,
+CC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1C(C)(C)C,1,100.0,
+CC(=O)Oc1c(S(=O)(=O)c2ccccc2)c(C)nn1C(C)(C)C,0,0.0,
+CC(=O)Oc1c2occc2cc2ccc(=O)oc12,0,0.0,
+CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C,0,0.0,
+CC(=O)Oc1cc(OC(C)=O)c2c(C)cc(=O)oc2c1,0,0.0,
+CC(=O)Oc1cc2c(C(=O)NCCCN3CCOCC3)c(C)oc2c2ccccc12,0,0.0,
+CC(=O)Oc1cc2c(C(=O)NCCN3CCOCC3)c(C)oc2c2ccccc12,0,0.0,
+CC(=O)Oc1cc2c(C(=O)NCc3ccncc3)c(C)oc2c2ccccc12,1,100.0,
+CC(=O)Oc1cc2c(C(C)=O)coc2c2ccccc12,0,0.0,
+CC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3,0,0.0,
+CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O,0,0.0,
+CC(=O)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1,0,0.0,
+CC(=O)Oc1ccc(-c2nc(-c3cccnc3)no2)cc1,0,0.0,
+CC(=O)Oc1ccc(/C=c2\sc3ncnn3c2=O)cc1,0,0.0,
+CC(=O)Oc1ccc(C(=O)Nc2nccs2)cc1,0,0.0,
+CC(=O)Oc1ccc(C(=O)Nc2nnc(C)s2)cc1,0,0.0,
+CC(=O)Oc1ccc(C(=O)O)cc1OC(C)=O,0,0.0,
+CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,0,0.0,
+CC(=O)Oc1ccc(C)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O,0,0.0,
+CC(=O)Oc1ccc(CCC(C)OC(C)=O)cc1,0,0.0,
+CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1,0,0.0,
+CC(=O)Oc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1,0,0.0,
+CC(=O)Oc1ccc(N2C(=O)CCC2=O)cc1,0,0.0,
+CC(=O)Oc1ccc(NC(=O)C2CCCCC2)c(C(=O)O)c1,0,0.0,
+CC(=O)Oc1ccc(NC(=O)CSc2ccccc2)cc1,0,0.0,
+CC(=O)Oc1ccc(NC(=O)Cc2ccccc2)cc1,0,0.0,
+CC(=O)Oc1ccc(Oc2ccc(-c3noc(C)n3)cc2)cc1,0,0.0,
+CC(=O)Oc1ccc2c(C)c(CC(C)O)c(=O)oc2c1,0,0.0,
+CC(=O)Oc1ccc2c(C)cc(=O)[nH]c2c1,0,0.0,
+CC(=O)Oc1ccc2c(c1)c(C(C)=O)c(C)n2C,0,0.0,
+CC(=O)Oc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1,0,0.0,
+CC(=O)Oc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(c2ncccn2)CC1,0,0.0,
+CC(=O)Oc1ccc2oc(C)c(C(=O)N3CCOCC3)c2c1,0,0.0,
+CC(=O)Oc1ccc2oc3c(c2c1)C(=O)CCC3,0,0.0,
+CC(=O)Oc1ccc2occ(C(=O)c3cccs3)c2c1,0,0.0,
+CC(=O)Oc1cccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)c1,0,0.0,
+CC(=O)Oc1cccc(N2C(=O)C3C(C2=O)C2C=CC3C23CC3)c1,0,0.0,
+CC(=O)Oc1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,0,0.0,
+CC(=O)Oc1cccc(N2C(=O)C3C4C=CC(C4=C(C)C)C3C2=O)c1,0,0.0,
+CC(=O)Oc1cccc(N2C(=O)C3CC=C(Cl)CC3C2=O)c1,0,0.0,
+CC(=O)Oc1cccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)c1,0,0.0,
+CC(=O)Oc1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1,0,0.0,
+CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,0,0.0,
+CC(=O)Oc1ccccc1-c1nc(C)nc(N(C)C(C)=O)n1,0,0.0,
+CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=N/n2cnnc2)cc1,0,0.0,
+CC(=O)Oc1ccccc1C1OC(=O)c2ccccc2N1C(C)=O,0,0.0,
+CC(=O)Oc1ccccc1C1OCCN1C(C)=O,0,0.0,
+CC(=O)Oc1ccccc1N1C(=O)c2ccc(C(=O)O)cc2C1=O,0,0.0,
+CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccn1,0,0.0,
+CC(=O)SCC(=O)N=c1sc2cc(F)ccc2n1C,0,0.0,
+CC(=O)SCCC(=O)N1C(C)CCCC1C(=O)O,0,0.0,
+CC(=O)SCCC(=O)Nc1ccccc1,0,0.0,
+CC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C2c3ccccc3C=CN21,0,0.0,
+CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2C2c3ccccc3C=CN21,0,0.0,
+CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,0,0.0,
+CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,0,0.0,
+CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,0,0.0,
+CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,0,0.0,
+CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0,0.0,
+CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C,0,0.0,
+CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,0,0.0,
+CC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21,0,0.0,
+CC(=O)[C@H]1[C@H](C#N)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,0,0.0,
+CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C(=O)O)cc2)c1C,0,0.0,
+CC(=O)c1c(C(C)=O)c(C)n(-c2nc(-c3ccccc3)c(C)s2)c1C,0,0.0,
+CC(=O)c1c(C(C)=O)c(C)n(-c2nc(-c3cccs3)c(C)s2)c1C,0,0.0,
+CC(=O)c1c(C(C)=O)c(C)n(CC2CCCO2)c1C,0,0.0,
+CC(=O)c1c(C(C)=O)c(C)n(CCCCn2c(C)c(C(C)=O)c(C(C)=O)c2C)c1C,0,0.0,
+CC(=O)c1c(C(C)=O)c(C)n(Cc2ccc3c(c2)OCO3)c1C,0,0.0,
+CC(=O)c1c(C(C)=O)c(C)n(Cc2ccccc2)c1C,0,0.0,
+CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccccc2O)c1C,0,0.0,
+CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2cccnc2)c1C,0,0.0,
+CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccncc2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C3CCCCC3)n2N)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CN3CCCCCC3=O)n2-c2ccccn2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)N2CCC3(CC2)OCCO3)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)N2CCCCCC2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ncccn3)CC2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc32)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc3C2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)N2c3ccccc3CC2C)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)NC2=NCCS2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)NC2CCCCC2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)NCCC2=CCCCC2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)NCCCN2CCCC2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)NCCN2CCC(C)CC2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)NCCc2cccc(C)c2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)NCCc2ccccc2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2Cl)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccn2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)NCc2cccs2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)ccc2C)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cn2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)OCCO3)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)Nc2cccnc2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)OC2CCCCC2=O)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)OC2CCOC2=O)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCc2ccc(F)cc2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(C)on2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)c1C,1,100.0,0.0
+CC(=O)c1c(C)[nH]c(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)c1C,1,100.0,
+CC(=O)c1c(C)[nH]c(C(=O)OCc2nnc(-c3ccccc3)o2)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C(=O)OCn2nnc3ccccc3c2=O)c1C,0,0.0,
+CC(=O)c1c(C)[nH]c(C)c1C(C)=O,0,0.0,
+CC(=O)c1c(C)c2c(n1CCN(C)C)CCCC2,0,0.0,
+CC(=O)c1c(C)c[nH]c1C,0,0.0,
+CC(=O)c1c(C)cc(C)c(CSc2nc(C)cc(=O)[nH]2)c1C,0,0.0,
+CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccco3)o2)c1C,0,0.0,
+CC(=O)c1c(C)n(-c2ccc(N(C)C)cc2)c2ccc(OCC(N)=O)cc12,0,0.0,
+CC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12,0,0.0,
+CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(O)CN3CCOCC3)cc12,0,0.0,
+CC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccco3)cc12,0,0.0,
+CC(=O)c1c(C)n(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12,0,0.0,
+CC(=O)c1c(C)n(CC2CCCO2)c2ccc(O)cc12,0,0.0,
+CC(=O)c1c(C)n(CCCOC(C)C)c2ccc(O)cc12,0,0.0,
+CC(=O)c1c(C)n([O-])c2cc(C)ccc2[n+]1=O,0,0.0,
+CC(=O)c1c(C)n([O-])c2ccc(C)cc2[n+]1=O,0,0.0,
+CC(=O)c1c(C)n([O-])c2ccccc2[n+]1=O,0,0.0,
+CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1N=CN(C)C,0,0.0,
+CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1NC(=O)C(C)C,0,0.0,
+CC(=O)c1c(C)nc(-c2ccc3c(c2)OCO3)n1O,0,0.0,
+CC(=O)c1c(C)nc(C)nc1NC(=O)C(C)C,0,0.0,
+CC(=O)c1c(C)nc(C)nc1NC(=O)Cc1ccccc1,0,0.0,
+CC(=O)c1c(C)nc2cc(Cl)ccc2c1N,0,0.0,
+CC(=O)c1c(C)nc2ccc(Br)cc2c1C(=O)O,0,0.0,
+CC(=O)c1c(C)nc2ccccc2c1N,0,0.0,
+CC(=O)c1c(C)nc2ccccn12,0,0.0,
+CC(=O)c1c(C)nc2nonc2c1N,0,0.0,
+CC(=O)c1c(C)nn(C(=O)N2CCOCC2)c1C,0,0.0,
+CC(=O)c1c(C)nn(C(=O)c2cccs2)c1C,0,0.0,
+CC(=O)c1c(C)nn(C(C)CC(=O)O)c1C,0,0.0,
+CC(=O)c1c(C)nn(CC(O)COc2ccc3c(c2)CCC3)c1C,0,0.0,
+CC(=O)c1c(C)nn(CC(O)Cn2c3c(c4cc(C)ccc42)CCCC3=O)c1C,0,0.0,
+CC(=O)c1c(C)nn(CCC(=O)O)c1C,0,0.0,
+CC(=O)c1c(C)oc(C)c1CSCc1ccc(C(=O)O)o1,0,0.0,
+CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(O)c(C(=O)O)c3)cc12,0,0.0,
+CC(=O)c1c(COC(=O)c2cccnc2)nc2ccccc2[n+]1[O-],0,0.0,
+CC(=O)c1c(COC(=O)c2ccco2)nc2ccccc2[n+]1[O-],0,0.0,
+CC(=O)c1c(COC(=O)c2ccncc2)nc2ccccc2[n+]1[O-],0,0.0,
+CC(=O)c1c(N)[nH]c(-c2ccccc2)nc1=S,0,0.0,
+CC(=O)c1c(N)c(C#N)c(C)n1-c1ccc(Br)cc1,0,0.0,
+CC(=O)c1c(N)n(C)c(=O)n(C)c1=O,0,0.0,
+CC(=O)c1c(N)nc2n(c1=O)CCCCC2,0,0.0,
+CC(=O)c1c(N2CCCCC2)nc(=O)n(-c2ccccc2)c1C,0,0.0,
+CC(=O)c1c(N2CCCCC2)nc(=S)n(-c2ccccc2)c1C,0,0.0,
+CC(=O)c1c(N2CCCCC2)nc(=S)n(Cc2ccccc2)c1C,0,0.0,
+CC(=O)c1c(N2CCN(C(=O)C3CCCO3)CC2)nc(=S)n(-c2ccccc2)c1C,0,0.0,
+CC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)nc(=S)n(-c2ccccc2)c1C,0,0.0,
+CC(=O)c1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(=S)n(-c2ccccc2)c1C,0,0.0,
+CC(=O)c1c(N2CCN(Cc3ccccc3)CC2)[nH]c(-c2ccccc2)nc1=S,0,0.0,
+CC(=O)c1c(N2CCN(c3cccc(Cl)c3)CC2)nc(=S)n(-c2ccccc2)c1C,0,0.0,
+CC(=O)c1c(N2CCN(c3ccccc3)CC2)nc(=S)n(-c2ccccc2)c1C,0,0.0,
+CC(=O)c1c(N2CCOCC2)nc(=S)n(-c2cc(C)ccc2C)c1C,0,0.0,
+CC(=O)c1c(N2CCOCC2)nc(=S)n(Cc2ccccc2)c1C,0,0.0,
+CC(=O)c1c(N=CN(C)C)nc(C)nc1-c1ccccc1,0,0.0,
+CC(=O)c1c(NC(=O)C(C)C)nc(C)nc1-c1ccccc1,0,0.0,
+CC(=O)c1c(NCCc2ccccc2)cc(C)oc1=O,0,0.0,
+CC(=O)c1c(NCc2ccccc2)nc(=O)n(-c2ccccc2)c1C,0,0.0,
+CC(=O)c1c(Nc2ccc3c(c2)OCCO3)oc(C)cc1=O,0,0.0,
+CC(=O)c1c(O)cc(C)n(Cc2ccccc2)c1=O,0,0.0,
+CC(=O)c1c(O)cc(C)n(Nc2nc(C)cc(C)n2)c1=O,0,0.0,
+CC(=O)c1c(O)n(C)c(=S)n(-c2ccccc2)c1=O,0,0.0,
+CC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O,0,0.0,
+CC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C,0,0.0,
+CC(=O)c1c(OCC(=O)O)ccc2c(C)cc(=O)oc12,0,0.0,
+CC(=O)c1c[nH]c2ccc(C)cc2c1=O,0,0.0,
+CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCc2cccs2)c1C,0,0.0,
+CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cc(C)[nH]n2)c1C,0,0.0,
+CC(=O)c1cc(-c2ccccc2)[nH]c1N1CCCC1,0,0.0,
+CC(=O)c1cc(-c2ccccc2)[nH]c1N1CCOCC1,0,0.0,
+CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCC(N3CCCCC3)CC2)c1C,0,0.0,
+CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCN(C3CCCC3)CC2)c1C,0,0.0,
+CC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2cccs2)c1C,0,0.0,
+CC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCc2cccs2)c1C,0,0.0,
+CC(=O)c1cc(-c2nc3ccccc3n2C)n(C)c1,0,0.0,
+CC(=O)c1cc(C#N)c(SCC(=O)C(C)(C)C)nc1C,0,0.0,
+CC(=O)c1cc(C#N)c(SCC(=O)OC(C)(C)C)nc1C,0,0.0,
+CC(=O)c1cc(C#N)c(SCC(=O)OC(C)C)nc1C,0,0.0,
+CC(=O)c1cc(C#N)c(SCCC(C)C)nc1C,0,0.0,
+CC(=O)c1cc(C#N)c(SCc2ccncc2)nc1C,0,0.0,
+CC(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)oc1C,0,0.0,
+CC(=O)c1cc(C)ccc1OC(=O)c1cccc2nc(C)oc12,1,100.0,0.0
+CC(=O)c1cc(C)ccc1OC(=O)c1cccnc1,0,0.0,
+CC(=O)c1cc(C)ccc1OC(=O)c1ccco1,0,0.0,
+CC(=O)c1cc(CN2C(=O)CCC2=O)cs1,0,0.0,
+CC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cs1,0,0.0,
+CC(=O)c1cc(CN2CCCCC2)cc(OC(C)C)c1,0,0.0,
+CC(=O)c1cc(Cc2csc(C(C)=O)c2)cs1,0,0.0,
+CC(=O)c1cc(Cl)ccc1OC(=O)c1ccco1,0,0.0,
+CC(=O)c1cc(F)c(N2CCCC2)cc1C,0,0.0,
+CC(=O)c1cc(F)c(N2CCN(C(=O)Cc3ccccc3)CC2)cc1C,0,0.0,
+CC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C,0,0.0,
+CC(=O)c1cc(F)c(N2CCN(CCC#N)CC2)cc1C,0,0.0,
+CC(=O)c1cc(OC(=O)N2CCOCC2)ccc1OC(=O)N1CCOCC1,0,0.0,
+CC(=O)c1cc(OC(=O)c2ccncc2)ccc1OC(=O)c1ccncc1,0,0.0,
+CC(=O)c1cc2c(=O)c3cc(C)ccc3oc2nc1C,0,0.0,
+CC(=O)c1cc2c(=O)c3ccccc3oc2nc1C,0,0.0,
+CC(=O)c1cc2c(O)c(O)ccc2o1,0,0.0,
+CC(=O)c1cc2c(cc1N)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)C1CC=CCC1C(=O)O)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)CCCC(=O)O)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)CCc1ccccc1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)CCn1cccc1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)CN1CCCCC1C)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ccco3)CC1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)CN1CCN(c3ccc(F)cc3)CC1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)CN1CCN(c3cccc(C(F)(F)F)c3)CC1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)CN1CCOCC1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)CN1CCc3ccccc3C1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)CSc1nc3ccccc3o1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(C)s1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)Nc1cccc(Cl)c1)OCCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)c1cc(C)nn1-c1ccccc1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)c1cc3nc(C(C)C)cc(C(F)(F)F)n3n1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)c1ccc(-n3nc(C)cc3C)cc1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NC(=O)c1cnc(C)cn1)OCO2,0,0.0,
+CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(C)cc1)OCCO2,0,0.0,
+CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)OCCO3)OCO2,0,0.0,
+CC(=O)c1cc2cc(O)ccc2o1,0,0.0,
+CC(=O)c1ccc(-c2nc3c4ccccc4ccn3c2C(C)=O)o1,0,0.0,
+CC(=O)c1ccc(-c2nc3ccccc3n2C)o1,0,0.0,
+CC(=O)c1ccc(-n2nncc2C(C)(C)C)cc1,0,0.0,
+CC(=O)c1ccc(-n2nncc2C)cc1,0,0.0,
+CC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc3C2)cc1,0,0.0,
+CC(=O)c1ccc(C#CC(C)(C)O)s1,0,0.0,
+CC(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,0,0.0,
+CC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1,0,0.0,
+CC(=O)c1ccc(C(C)(C)c2ccc(C(C)=O)s2)s1,1,100.0,1.0
+CC(=O)c1ccc(C(C)CCC(=O)O)cc1,0,0.0,
+CC(=O)c1ccc(CCCC(=O)O)cc1,0,0.0,
+CC(=O)c1ccc(Cc2cnc(N)s2)cc1,0,0.0,
+CC(=O)c1ccc(N(C)C)c2c(N(C)C)cccc12,0,0.0,
+CC(=O)c1ccc(N2C(=NC(=O)C(C)C)SC3CS(=O)(=O)CC32)cc1,0,0.0,
+CC(=O)c1ccc(N2C(=O)C3C(C2=O)C(C(=O)c2ccc(Cl)cc2)N2CCCC32)cc1,0,0.0,
+CC(=O)c1ccc(N2C(=O)NC3(CCCCC3)C2=O)cc1,0,0.0,
+CC(=O)c1ccc(N2C(=O)[C@@H]3C(CCC(N)=O)NC4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1,0,0.0,
+CC(=O)c1ccc(N2CCCC2)c(F)c1,0,0.0,
+CC(=O)c1ccc(N2CCCCCC2)c(F)c1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)C3CCC3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)CCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(C)cc3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(F)c1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)nc4ccccc34)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)on3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(-c5ccccc5F)nn(C)c4s3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)c3ccc(NC(=O)C4CCCO4)cc3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(=O)n(-c5ccccc5)c(=O)[nH]c4c3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)c3ccco3)C(C)C2)c(F)c1,0,0.0,
+CC(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)c(F)c1,0,0.0,
+CC(=O)c1ccc(N2CCN(CCC#N)CC2)c(F)c1,0,0.0,
+CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)C(C)Sc2nnnn2C)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)C2CCC(C)NC2=O)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)C2CCCNC2=O)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CCC(=O)OCC(F)(F)C(F)F)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CSC(C)C)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CSCCO)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)CN3CCOCC3)s2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)Cn2nc(C)cc2C)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,1,100.0,
+CC(=O)c1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)O)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)Nc2ncn(Cc3cccc(C)c3)n2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)c2cc(CC(C)C)on2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1,0,0.0,
+CC(=O)c1ccc(NC(=O)c2noc3c2CCCCC3)cc1,0,0.0,
+CC(=O)c1ccc(NC2CC(O)C(O)CO2)cc1,0,0.0,
+CC(=O)c1ccc(NC2OC(C)C(O)C(O)C2O)cc1,0,0.0,
+CC(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1,0,0.0,
+CC(=O)c1ccc(NC2c3ncccc3C(=O)N2Cc2ccc(F)cc2)cc1,0,0.0,
+CC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1,0,0.0,
+CC(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1,0,0.0,
+CC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,0,0.0,
+CC(=O)c1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0,0.0,
+CC(=O)c1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1,0,0.0,
+CC(=O)c1ccc(Nc2ncnc3c2oc2ccccc23)cc1,0,0.0,
+CC(=O)c1ccc(O)c(CO)c1,0,0.0,
+CC(=O)c1ccc(OC(=O)C2CC(=O)N(c3cccc(C)c3)C2)cc1,0,0.0,
+CC(=O)c1ccc(OC(=O)c2ccc(Br)o2)cc1,0,0.0,
+CC(=O)c1ccc(OC(=O)c2cccs2)cc1,0,0.0,
+CC(=O)c1ccc(OC(C)C)c(CN2CCCCC2)c1,0,0.0,
+CC(=O)c1ccc(OC(C)C)c(CSc2nc(O)cc(=O)[nH]2)c1,0,0.0,
+CC(=O)c1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1,0,0.0,
+CC(=O)c1ccc(OCC(C)C)c(CC(C(N)=O)C(N)=O)c1,0,0.0,
+CC(=O)c1ccc(OCC(C)C)c(CN2CCCCC2)c1,0,0.0,
+CC(=O)c1ccc(OCC(O)CN(C)Cc2cccs2)cc1,0,0.0,
+CC(=O)c1ccc(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)cc1,1,100.0,0.0
+CC(=O)c1ccc(OCC(O)CN2C(C)CCCC2C)cc1,1,100.0,0.0
+CC(=O)c1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1,0,0.0,
+CC(=O)c1ccc(OCC(O)CN2CCC(C)CC2)cc1,0,0.0,
+CC(=O)c1ccc(OCC(O)CN2CCCC(C)C2)cc1,0,0.0,
+CC(=O)c1ccc(OCC(O)CN2CCN(CCO)CC2)cc1,0,0.0,
+CC(=O)c1ccc(OCC(O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+CC(=O)c1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(OCC(O)CN2CCN(c3ccccn3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(OCC(O)CN2CCOCC2)cc1,0,0.0,
+CC(=O)c1ccc(OCC(O)COc2ccc(C(C)=O)cc2)cc1,0,0.0,
+CC(=O)c1ccc(OCC(O)Cn2nnc3ccccc32)cc1,0,0.0,
+CC(=O)c1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(OCCCC(=O)NCC(c2ccco2)N(C)C)cc1,0,0.0,
+CC(=O)c1ccc(OCCCC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+CC(=O)c1ccc(OCCCC(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1,0,0.0,
+CC(=O)c1ccc(OCCCC(=O)n2nnc3ccccc32)cc1,0,0.0,
+CC(=O)c1ccc(Oc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,0,0.0,
+CC(=O)c1ccc(Oc2ncnc3sccc23)c(CN2CCOCC2)c1,0,0.0,
+CC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)cc1,0,0.0,
+CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)NCCc2ccccn2)cc1,0,0.0,
+CC(=O)c1ccc2c(c1)Nc1ccccc1S2,0,0.0,
+CC(=O)c1ccc2c3c(ccc(O)c13)CC2,0,0.0,
+CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1c(C)nn(C)c1C)C2=O,0,0.0,
+CC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c1,0,0.0,
+CC(=O)c1cccc(-n2nnnc2SCC(=O)N2CCCC2)c1,0,0.0,
+CC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1,0,0.0,
+CC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)c1,0,0.0,
+CC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccncc2)c1,0,0.0,
+CC(=O)c1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1,0,0.0,
+CC(=O)c1cccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1,0,0.0,
+CC(=O)c1cccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1,0,0.0,
+CC(=O)c1cccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1,0,0.0,
+CC(=O)c1cccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1,0,0.0,
+CC(=O)c1cccc(N(CC(=O)O)S(C)(=O)=O)c1,0,0.0,
+CC(=O)c1cccc(N2C(=NC(=O)C(C)C)SC3CS(=O)(=O)CC32)c1,0,0.0,
+CC(=O)c1cccc(N=C2C(=O)Nc3ccccc32)c1,0,0.0,
+CC(=O)c1cccc(N=C2NC(=O)C(CO)(CO)S2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2C3C=CC(C4CC34)C2C(=O)O)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2CCCC2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2CCCCC2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)C=C(C)C)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CCOc2ccccc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2cccc3nonc23)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)COc2ccccc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)Cc2cccs2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)Cn2cc3c(n2)CCCC3)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2C3CCC2CC(O)(c2cccnc2)C3)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCC(c3nnc(SCC(N)=O)n3C)CC2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NC2CCCCC2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NCCC(C)C)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NCc2ccc(C)cc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NCc2ccc(F)cc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NCc2ccccc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)Nc2c(C)cccc2C)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)Nc2cc(C)ccc2C)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)Nc2cccc(C)c2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)Nc2cccc(C)c2C)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)Nc2ccccc2C)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCCc3ccccc32)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N2CCc3ccccc3C2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)NC(C)C2CCCO2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)NC(C)c2ccncc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)NC2CCCCC2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)NCC[S+](C)[O-])c1,0,0.0,
+CC(=O)c1cccc(NC(=O)NCc2ccccn2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)NCc2cccnc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)NCc2ccco2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)NCc2cccs2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)O)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)Nc2c(C)nn(C)c2C)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)Nc2cc3sccc3n2C)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)Nc2cccnc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)Nc2cccs2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)Oc2ccccc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2cc(C(C)C)on2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2cc(C)no2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2cc3ccccn3n2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2cc3nc(C)cc(C)n3n2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2cnn3ccccc23)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2nccnc2C(=O)O)c1,0,0.0,
+CC(=O)c1cccc(NC(=O)c2oc(C)nc2C)c1,0,0.0,
+CC(=O)c1cccc(NC2=NCC(C)S2)c1,0,0.0,
+CC(=O)c1cccc(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1,1,100.0,0.0
+CC(=O)c1cccc(NC2c3ncccc3C(=O)N2Cc2ccco2)c1,0,0.0,
+CC(=O)c1cccc(NS(=O)(=O)N(C)C)c1,0,0.0,
+CC(=O)c1cccc(NS(=O)(=O)N2CCCCC2)c1,0,0.0,
+CC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1,0,0.0,
+CC(=O)c1cccc(OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1,0,0.0,
+CC(=O)c1cccc(OCC(O)CN2CC=C(c3ccccc3)CC2)c1,0,0.0,
+CC(=O)c1cccc(OCCN2C(=O)NC(C)(C)C2=O)c1,0,0.0,
+CC(=O)c1cccc(S(=O)(=O)N(CCCO)Cc2cc3ccc(C)cc3[nH]c2=O)c1,0,0.0,
+CC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)c1,0,0.0,
+CC(=O)c1cccc(S(=O)(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1,0,0.0,
+CC(=O)c1cccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(C)o4)no3)C2)c1,0,0.0,
+CC(=O)c1cccc(S(=O)(=O)N2CCN(c3nc4cc(C)cc(C)c4cc3C#N)CC2)c1,0,0.0,
+CC(=O)c1cccc(S(=O)(=O)NCC(c2ccco2)N2CCCCC2)c1,0,0.0,
+CC(=O)c1ccccc1NC(=O)C1C2CCC(O2)C1C(=O)O,0,0.0,
+CC(=O)c1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C,1,100.0,0.0
+CC(=O)c1ccccc1OC(=O)c1ccco1,0,0.0,
+CC(=O)c1ccccc1OCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1,1,100.0,1.0
+CC(=O)c1ccccc1OCCCN1CCCCC1,1,100.0,1.0
+CC(=O)c1ccccc1OCCn1nnc(-c2ccc(C)cc2)n1,0,0.0,
+CC(=O)c1ccccc1Oc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12,1,100.0,1.0
+CC(=O)c1cn(CC(=O)NCC2CCCO2)c2ccccc12,0,0.0,
+CC(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12,0,0.0,
+CC(=O)c1cn(CC(=O)NCc2cccnc2)c2ccccc12,0,0.0,
+CC(=O)c1cn(CC(=O)Nc2ccccc2)c2ccccc12,0,0.0,
+CC(=O)c1cnc(N2CCCCC2)nc1C,0,0.0,
+CC(=O)c1cnc(Nc2nc(C)c3cc(C)ccc3n2)nc1C,0,0.0,
+CC(=O)c1cnc(Nc2nc(C)c3ccc(C)cc3n2)nc1C,0,0.0,
+CC(=O)c1cnc(Nc2nc(C)c3cccc(C)c3n2)nc1C,0,0.0,
+CC(=O)c1cnc(Nc2nc(C)c3ccccc3n2)nc1C,0,0.0,
+CC(=O)c1cnc2cc(-c3ccccc3)nn2c1C,0,0.0,
+CC(=O)c1cnc2nc(C(F)(F)F)nn2c1C,0,0.0,
+CC(=O)c1cnc2nc(C)nn2c1C,0,0.0,
+CC(=O)c1coc2ccc(OCC(=O)O)cc12,0,0.0,
+CC(=O)c1coc2ccc(OCCN3CCCCC3)cc12,0,0.0,
+CC(=O)c1n[nH]nc1NC(=O)c1ccccc1,0,0.0,
+CC(=O)c1n[nH]nc1Nc1nc(C)cc(C)n1,0,0.0,
+CC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CC(=O)c1ncnn1CC(=O)c1ccc(Cl)cc1Cl,0,0.0,
+CC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1ccco1,0,0.0,
+CC(=O)c1nnn(-c2nc(N)nc(N(c3ccccc3)c3ccccc3)n2)c1C,0,0.0,
+CC(=O)c1nnn(-c2nc(N3CCCC3)nc(N(c3ccccc3)c3ccccc3)n2)c1C,0,0.0,
+CC(=O)c1oc2ccccc2c1N,0,0.0,
+CC(=O)c1oc2ccccc2c1NC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1,0,0.0,
+CC(=O)c1sc(-c2c(C)nc3sccn23)nc1C1CCCC1,0,0.0,
+CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C,0,0.0,
+CC(=O)c1sc(NC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)nc1C,0,0.0,
+CC(=O)c1sc(NC(=O)C2COc3ccccc3O2)nc1C,0,0.0,
+CC(=O)c1sc(NC(=O)C=C(C)C)nc1C,0,0.0,
+CC(=O)c1sc(NC(=O)CN2C(=O)CCC2=O)nc1C,0,0.0,
+CC(=O)c1sc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)nc1C,0,0.0,
+CC(=O)c1sc(NC(=O)c2ccccc2F)nc1C,0,0.0,
+CC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1,0,0.0,
+CC(=O)c1sc(Nc2ccccn2)nc1C,0,0.0,
+CC(=O)c1sc(Nc2nc3ccc(F)cc3s2)nc1C,0,0.0,
+CC(=O)c1sc2ccccc2c1OC(=O)c1ccco1,0,0.0,
+CC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N,0,0.0,
+CC(=O)c1sc2nc(=O)c(C)nn2c1C,0,0.0,
+CC(=O)c1sc2nc(SCC(=O)N3CCCCC3)[nH]c(=O)c2c1C,0,0.0,
+CC(=O)n1c2ccccc2c2c(C#N)c(N3CCCCC3)sc21,0,0.0,
+CC(=O)n1c2ccccc2c2c1c1ccccc1n2C,0,0.0,
+CC(=O)n1c2ccccc2c2nc(NC(C)C)sc21,0,0.0,
+CC(=O)n1cc(-c2ccncc2)c2ccccc21,0,0.0,
+CC(=O)n1cc(C2C(=O)CC(C)(C)CC2=O)c2ccccc21,0,0.0,
+CC(=O)n1cc(C2C(=O)CCCC2=O)c2ccccc21,0,0.0,
+CC(=O)n1cc(C2OC(=O)C(C)=C(O)C2(C)C)c2ccccc21,0,0.0,
+CC(=O)n1cc(Nc2ccccc2C(=O)O)c2ccccc21,0,0.0,
+CC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1,0,0.0,
+CC(=O)n1nc(-c2cccnc2)nc1N,0,0.0,
+CC(=O)n1nc(-c2ccco2)nc1N,0,0.0,
+CC(=O)n1nc(-c2ccco2)nc1SCc1ccccc1,0,0.0,
+CC(=O)n1nc2nc(C)cc(C)c2c1N,0,0.0,
+CC(C#N)On1c(SC(C)C#N)nc2ccccc2c1=O,0,0.0,
+CC(C#N)Sc1nc2ccccc2c(=O)n1-c1ccccc1,0,0.0,
+CC(C#N)Sc1ncnc2sc3c(c12)CCC3,0,0.0,
+CC(C(=O)N(C)C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,0,0.0,
+CC(C(=O)N(C1CC1)C1(C(=O)Nc2ccccc2)CCCC1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)N1CC2(C)CC1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)N1CCC2(CC1)OCCO2)C1Sc2ccccc2NC1=O,0,0.0,
+CC(C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)N1CCCCC1)n1ncn2cccc2c1=O,0,0.0,
+CC(C(=O)N1CCCCC1)n1sc2ccccc2c1=O,0,0.0,
+CC(C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCc2ccccc2C1,0,0.0,
+CC(C(=O)N1CCN(C=O)CC1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)N1CCN(c2ccccc2)CC1)N1C(=O)C2CC=CCC2C1=O,0,0.0,
+CC(C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1,0,0.0,
+CC(C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)N1CCOCC1)N1c2cccc3cccc(c23)S1(=O)=O,0,0.0,
+CC(C(=O)N1CCc2ccccc21)N1CCc2ccccc2C1,0,0.0,
+CC(C(=O)N1c2ccc(F)cc2CCC1C)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)N1c2ccccc2Sc2ccccc21)n1nnc(-c2cccs2)n1,0,0.0,
+CC(C(=O)N=c1sc2ccccc2n1C)N1C(=O)C2CC=CCC2C1=O,0,0.0,
+CC(C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccccn2)CC1,0,0.0,
+CC(C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)NC1=NCCS1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(C(=O)NC1=NCCS1)N1C(=O)C2CC=CCC2C1=O,0,0.0,
+CC(C(=O)NC1=NCCS1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2,0,0.0,
+CC(C(=O)NC1CCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1snc(C(=O)NC2CCCC2)c1N,0,0.0,
+CC(C(=O)NC1CCCCCC1)N(c1ccccc1)S(C)(=O)=O,0,0.0,
+CC(C(=O)NC1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CC(C(=O)NCC1(c2ccccc2)CCCC1)N1CCCC1,0,0.0,
+CC(C(=O)NCC1(c2ccccc2)CCCC1)N1CCOCC1,0,0.0,
+CC(C(=O)NCC1CCCO1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1,0,0.0,
+CC(C(=O)NCC1CCCO1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1,0,0.0,
+CC(C(=O)NCC1CCCO1)n1cccc1C(=O)c1ccccc1,1,100.0,
+CC(C(=O)NCCC1=CCCCC1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)NCCCN1CCOCC1)n1cccc1C(=O)c1ccccc1,0,0.0,
+CC(C(=O)NCc1ccc2c(c1)OCO2)N(c1ccccc1)S(C)(=O)=O,0,0.0,
+CC(C(=O)NCc1ccc2c(c1)OCO2)N1c2cccc3cccc(c23)S1(=O)=O,0,0.0,
+CC(C(=O)NCc1ccccc1)N(CCN1CCOCC1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CC(C(=O)NCc1ccccc1)N1C(=O)CN(C)C(=O)c2ccccc21,0,0.0,
+CC(C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)NCc1cccnc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)NCc1ccco1)n1nc(-c2ccccc2)c2cc(Cl)ccc21,0,0.0,
+CC(C(=O)NCc1cccs1)n1cccc1,0,0.0,
+CC(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1C(=O)C2CC=CCC2C1=O,0,0.0,
+CC(C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O,0,0.0,
+CC(C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(Cl)cc1)S(C)(=O)=O,0,0.0,
+CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCOCC1,0,0.0,
+CC(C(=O)Nc1ccccc1C(=O)N1CCCC1)n1nnc2ccccc21,0,0.0,
+CC(C(=O)Nc1ccccc1F)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)Nc1ccccn1)N1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+CC(C(=O)Nc1cccnc1)N1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+CC(C(=O)Nc1cccnc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)Nc1nc2ccccc2[nH]1)N1C(=O)C2CC=CCC2C1=O,0,0.0,
+CC(C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)Nc1nccs1)N1C(=O)C2CC=CCC2C1=O,0,0.0,
+CC(C(=O)Nc1sccc1C(N)=O)N1C(=O)C2CC=CCC2C1=O,0,0.0,
+CC(C(=O)O)C1SC(=O)NC1=O,0,0.0,
+CC(C(=O)O)N1C(=O)CSC1=S,0,0.0,
+CC(C(=O)O)N1C(=O)CSc2ncccc21,0,0.0,
+CC(C(=O)O)N1C(=O)c2cccc3cccc1c23,0,0.0,
+CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1,0,0.0,
+CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,0,0.0,
+CC(C(=O)O)n1nc2ccccc2n1,0,0.0,
+CC(C(=O)OCC(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)OCc1nnc(-c2ccccc2)o1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)OCn1nnc2ccccc2c1=O)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)Oc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C(=O)c1c[nH]c2ccccc12)N1CCc2ccccc2C1,0,0.0,
+CC(C(=O)c1ccccc1)n1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C(=O)c1ccccc1)n1cnc2ccccc2c1=O,1,100.0,0.0
+CC(C(N)=O)N1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+CC(C(N)=O)N1CC(c2ccc(Cl)cc2)CC1=O,0,0.0,
+CC(C(N)=O)N1CC(c2ccccc2)CC1=O,0,0.0,
+CC(C)(/C=N/O)/[N+]([O-])=C/C=[N+](\[O-])C(C)(C)/C=N/O,0,0.0,
+CC(C)(/C=N/O)/[N+]([O-])=C/c1ccccc1C(F)(F)F,0,0.0,
+CC(C)(/C=N/O)/[N+]([O-])=C/c1ccco1,0,0.0,
+CC(C)(C#CCN1CCCC1)OCCC#N,0,0.0,
+CC(C)(C#N)C(C)(C)c1nn[nH]n1,0,0.0,
+CC(C)(C#N)N([O-])C=C[N+](=O)C(C)(C)C#N,0,0.0,
+CC(C)(C#N)NC(=O)c1ccco1,0,0.0,
+CC(C)(C#N)Nc1ccccc1,0,0.0,
+CC(C)(C#N)Nn1cnnc1,0,0.0,
+CC(C)(C)/C(O)=C(/C#N)c1nc2ccccc2[nH]1,0,0.0,
+CC(C)(C)C(=O)/C(C#N)=c1\s/c(=C\c2ccncc2)c(=O)n1CCCN1CCOCC1,0,0.0,
+CC(C)(C)C(=O)/C=C(N)/C=C/c1ccccc1,0,0.0,
+CC(C)(C)C(=O)/C=C(\N)c1ccccn1,0,0.0,
+CC(C)(C)C(=O)/C=C(\N)c1ccncc1,0,0.0,
+CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2ccc(C#N)cc2)s1,0,0.0,
+CC(C)(C)C(=O)C(CO)(Oc1ccc(Cl)cc1)n1cncn1,0,0.0,
+CC(C)(C)C(=O)C(Oc1cccc2nonc12)n1cncn1,0,0.0,
+CC(C)(C)C(=O)CC(=O)Nc1ccc(Cl)c(N)c1,0,0.0,
+CC(C)(C)C(=O)CCN1C(=O)C2(OCCO2)c2ccccc21,0,0.0,
+CC(C)(C)C(=O)CN1C(=O)C2(OCCO2)c2ccccc21,0,0.0,
+CC(C)(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CC(C)(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1,0,0.0,
+CC(C)(C)C(=O)COC(=O)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+CC(C)(C)C(=O)CSc1nc2ncc(Br)cc2[nH]1,0,0.0,
+CC(C)(C)C(=O)CSc1nccc(=O)[nH]1,0,0.0,
+CC(C)(C)C(=O)Cn1c(=N)n(Cc2ccccc2)c2ccccc21,0,0.0,
+CC(C)(C)C(=O)Cn1c(=O)n(CC2CCCO2)c(=O)c2ccccc21,0,0.0,
+CC(C)(C)C(=O)Cn1c(NCCCO)nc2ccccc21,0,0.0,
+CC(C)(C)C(=O)Cn1c[n+](N)cn1,0,0.0,
+CC(C)(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc2c(c1)OCO2,0,0.0,
+CC(C)(C)C(=O)NC(C(N)=O)=C(Cl)Cl,0,0.0,
+CC(C)(C)C(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1,0,0.0,
+CC(C)(C)C(=O)NC1CCN(C(=O)N2CCCC2)CC1,0,0.0,
+CC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+CC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2ccccc2F)CC1,0,0.0,
+CC(C)(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2,0,0.0,
+CC(C)(C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1,0,0.0,
+CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1ccco1,0,0.0,
+CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cccnc1,0,0.0,
+CC(C)(C)C(=O)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1Cl,0,0.0,
+CC(C)(C)C(=O)OCC1OC(n2cnc(C(N)=O)n2)C(O)C1O,1,100.0,0.0
+CC(C)(C)C(=O)OCCn1c(=O)c2cc3c(=O)n(CCOC(=O)C(C)(C)C)c(=O)c3cc2c1=O,0,0.0,
+CC(C)(C)C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(F)cc2)n1,0,0.0,
+CC(C)(C)C(=O)Oc1cc(N)n(S(=O)(=O)c2ccccc2)n1,0,0.0,
+CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2C2c3ccccc3C=CN21,0,0.0,
+CC(C)(C)C(=O)c1no[n+]([O-])c1/C(=N/O)C(C)(C)C,0,0.0,
+CC(C)(C)C(=O)c1sc(Nc2ccccc2)nc1N,0,0.0,
+CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1,0,0.0,
+CC(C)(C)C1(C)OC(C(N)=O)C(C(N)=O)O1,0,0.0,
+CC(C)(C)C1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O,0,0.0,
+CC(C)(C)C1=C(C#N)C(c2cc3c(cc2Br)OCO3)C(C#N)=C(N)O1,0,0.0,
+CC(C)(C)C1=C(C#N)C(c2ccc3c(c2)OCO3)C(C#N)=C(N)O1,0,0.0,
+CC(C)(C)C1=C[C@@H](CO)C[C@@H](CO)C1,0,0.0,
+CC(C)(C)C1=Nn2c(nnc2-c2ccccc2F)SC1,0,0.0,
+CC(C)(C)C1=Nn2c(nnc2-c2ccccn2)SC1,0,0.0,
+CC(C)(C)C1=Nn2c(nnc2-c2ccco2)SC1,0,0.0,
+CC(C)(C)C1=Nn2c(nnc2-c2n[nH]c3c2CCC3)SC1,0,0.0,
+CC(C)(C)C1=Nn2c(nnc2C2CCCCC2)SC1,0,0.0,
+CC(C)(C)C1CCC(=O)C(C2(O)C(=O)Nc3ccccc32)C1,0,0.0,
+CC(C)(C)C1CCC(OC(=O)c2ccncc2)CC1,0,0.0,
+CC(C)(C)C1CCC2(CC1)C(C#N)=C(SCC(=O)NC1CCCCC1)NC(=O)C2C#N,0,0.0,
+CC(C)(C)C1CCC2(CC1)C(C#N)=C(SCC(=O)Nc1ccccc1)NC(=O)C2C#N,0,0.0,
+CC(C)(C)C1CCC2(CC1)NC(CO)(CO)CO2,0,0.0,
+CC(C)(C)C1CCc2[nH]c3ccccc3c(=O)c2C1,0,0.0,
+CC(C)(C)C1CCc2[nH]nc(C(=O)O)c2C1,0,0.0,
+CC(C)(C)C1CCc2c(sc(N)c2C(N)=O)C1,0,0.0,
+CC(C)(C)C1CCc2c(sc(NC(=O)c3cc(C4CC4)on3)c2C#N)C1,0,0.0,
+CC(C)(C)C1CCc2c(sc3c2C(=O)NC(c2ccco2)N3)C1,0,0.0,
+CC(C)(C)C1CCc2nc(NC(=O)Cc3cn4ccsc4n3)sc2C1,0,0.0,
+CC(C)(C)C1CCc2onc(C(=O)N3CCOCC3)c2C1,0,0.0,
+CC(C)(C)C1CCc2onc(C(=O)NC3CCCC3)c2C1,0,0.0,
+CC(C)(C)C1CCc2onc(C(=O)NCc3ccc(F)cc3)c2C1,0,0.0,
+CC(C)(C)C1CCc2onc(C(=O)Nc3ccc(F)cc3F)c2C1,0,0.0,
+CC(C)(C)C1CCc2onc(C(=O)Nc3cccnc3)c2C1,0,0.0,
+CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1,0,0.0,
+CC(C)(C)CC(=O)N1CCC(c2nc3c(nnn3Cc3c(F)cccc3Cl)c(=O)[nH]2)CC1,0,0.0,
+CC(C)(C)CC(=O)Nc1nnc(-c2cccs2)s1,0,0.0,
+CC(C)(C)Cc1nc(-c2ccccn2)no1,0,0.0,
+CC(C)(C)Cc1nnc(NS(=O)(=O)Cc2ccccc2)s1,0,0.0,
+CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1,0,0.0,
+CC(C)(C)N(C=C(Cl)Cl)C(=O)NC1CCCCC1,0,0.0,
+CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1,0,0.0,
+CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1,0,0.0,
+CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(CNc2ccc(F)cc2)o1,0,0.0,
+CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2,1,100.0,0.0
+CC(C)(C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCCCC3CO)c(C#N)c21,0,0.0,
+CC(C)(C)N1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O,0,0.0,
+CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O,0,0.0,
+CC(C)(C)N1C(=O)c2ccc(C(=O)O)cc2C1=O,0,0.0,
+CC(C)(C)N1CC(COc2ccccc2)OC1=O,0,0.0,
+CC(C)(C)N=C1NC(=NC(C)(C)C)c2ccccc21,1,100.0,0.0
+CC(C)(C)N=C1SCC(C)(/C=N/O)S1,0,0.0,
+CC(C)(C)NC(=O)/C=N/O,0,0.0,
+CC(C)(C)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,0,0.0,
+CC(C)(C)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12,0,0.0,
+CC(C)(C)NC(=O)C(OC(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccncc1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1csnn1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccc(OCC(N)=O)cc1)N(C(=O)c1cccnc1)C1CC1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccccc1)N(C(=O)c1ccco1)C1CC1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccccc1)N(C(=O)c1csnn1)C1CC1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccccc1)N(Cc1ccco1)C(=O)c1csnn1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccccc1F)N(Cc1ccco1)C(=O)c1csnn1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccccn1)N(C(=O)c1ccc2c(c1)OCCO2)C1CCCC1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(F)c1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F,0,0.0,
+CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1ccc(CN2CCOCC2)o1)c1ccccc1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1csnn1)c1ccccc1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccco1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CC(C)(C)NC(=O)C(c1ccco1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21,0,0.0,
+CC(C)(C)NC(=O)C(c1cccs1)N(CC1CCCO1)C(=O)Cn1nnc(-c2cccs2)n1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCO2,0,0.0,
+CC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)c1csnn1)C1CC1,0,0.0,
+CC(C)(C)NC(=O)C(c1ccncc1)N(Cc1cccs1)C(=O)Cn1nnc(-c2cccs2)n1,0,0.0,
+CC(C)(C)NC(=O)C1CC(=O)OC1(C)C,0,0.0,
+CC(C)(C)NC(=O)C1CC(=O)OC12CCCCC2,0,0.0,
+CC(C)(C)NC(=O)C1CCC(C)(C(=O)O)C1(C)C,0,0.0,
+CC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+CC(C)(C)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1,0,0.0,
+CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,0,0.0,
+CC(C)(C)NC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,0,0.0,
+CC(C)(C)NC(=O)C1N(c2cccnc2)C(=O)C2C(C(=O)Nc3ccccc3)C3(C)C=CC21O3,0,0.0,
+CC(C)(C)NC(=O)C1N(c2cccnc2)C(=O)C2C(C(=O)Nc3ccccc3F)C3(C)C=CC21O3,0,0.0,
+CC(C)(C)NC(=O)CC(CC(=O)O)c1ccccc1,0,0.0,
+CC(C)(C)NC(=O)CN(C(=O)C1(C)CC(=O)N=C2C=CC=CN21)C1CCCC1,0,0.0,
+CC(C)(C)NC(=O)CN(C(=O)C1CSC(=O)C1)c1ccc2c(c1)OCCO2,0,0.0,
+CC(C)(C)NC(=O)CN(C(=O)CCN1CCCc2ccccc21)C(C)(C)C,0,0.0,
+CC(C)(C)NC(=O)CN(C(=O)C[S+]([O-])CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1,0,0.0,
+CC(C)(C)NC(=O)CN(C(=O)C[S+]([O-])CC(=O)Nc1ccc(F)cc1)c1ccc(F)c(Cl)c1,0,0.0,
+CC(C)(C)NC(=O)CN(C(=O)C[S+]([O-])CC(=O)Nc1ccc(F)cc1)c1ccccc1,0,0.0,
+CC(C)(C)NC(=O)CN(C(=O)c1ccc(CN2CCOCC2)o1)c1ccc2c(c1)OCCO2,0,0.0,
+CC(C)(C)NC(=O)CN(Cc1cccnc1)C(=O)c1csnn1,0,0.0,
+CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)c1csnn1,0,0.0,
+CC(C)(C)NC(=O)CN1CCC(O)(c2ccccc2)CC1,0,0.0,
+CC(C)(C)NC(=O)COC(=O)Cc1ccc(Cl)cc1,0,0.0,
+CC(C)(C)NC(=O)COC(=O)c1ccc(O)cc1,0,0.0,
+CC(C)(C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+CC(C)(C)NC(=O)COC(=O)c1snc(C(=O)NC2CCCCC2)c1N,1,100.0,
+CC(C)(C)NC(=O)COc1ccc(CNn2nnnc2N)cc1,0,0.0,
+CC(C)(C)NC(=O)CSc1n[nH]c(=O)n1-c1ccccc1,0,0.0,
+CC(C)(C)NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1F,0,0.0,
+CC(C)(C)NC(=O)CSc1nccn1Cc1ccccc1,0,0.0,
+CC(C)(C)NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1Cl,0,0.0,
+CC(C)(C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1,0,0.0,
+CC(C)(C)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,0,0.0,
+CC(C)(C)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1,0,0.0,
+CC(C)(C)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1,0,0.0,
+CC(C)(C)NC(=O)CSc1nnc(CN2CCCCCC2=O)n1-c1ccccn1,0,0.0,
+CC(C)(C)NC(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1C1CCCCC1,0,0.0,
+CC(C)(C)NC(=O)CSc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1,0,0.0,
+CC(C)(C)NC(=O)CSc1nncn1-c1ccccc1,0,0.0,
+CC(C)(C)NC(=O)CSc1nncn1NCc1ccccc1,0,0.0,
+CC(C)(C)NC(=O)CSc1nnnn1C(C)(C)C,0,0.0,
+CC(C)(C)NC(=O)CSc1nsc(SCC(=O)NC(C)(C)C)c1C#N,0,0.0,
+CC(C)(C)NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,1,100.0,0.0
+CC(C)(C)NC(=O)Cn1c(=O)oc2ccc(Cl)cc21,0,0.0,
+CC(C)(C)NC(=O)Cn1c(SCC(=O)N2CCCCCC2)nc2ccccc21,0,0.0,
+CC(C)(C)NC(=O)Cn1c(SCC(=O)NC2CCCCC2)nc2ccccc21,0,0.0,
+CC(C)(C)NC(=O)Cn1c(SCC(=O)NCc2cccs2)nc2ccccc21,0,0.0,
+CC(C)(C)NC(=O)Cn1cc(C#N)c2cc(Br)ccc21,0,0.0,
+CC(C)(C)NC(=O)Cn1ccc(=N)c2ccccc21,1,100.0,0.0
+CC(C)(C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1,0,0.0,
+CC(C)(C)NC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1,0,0.0,
+CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2Cl)n1,0,0.0,
+CC(C)(C)NC(=O)Cn1nnc(-c2cccs2)n1,0,0.0,
+CC(C)(C)NC(=O)Cn1nnnc1-c1nonc1N,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)C1CC(=O)N(Cc2ccccc2)C1,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(F)c1,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)COc1ccc2c(c1)CCC2,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccco1,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COc1ccccc1C#N,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COc1ccccn1,0,0.0,
+CC(C)(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O,0,0.0,
+CC(C)(C)NC(=O)Nc1ccc2nccnc2c1,0,0.0,
+CC(C)(C)NC(=O)Nc1ccccc1C(N)=O,0,0.0,
+CC(C)(C)NC(=O)c1cc(NC(=O)c2ccco2)cc(NC(=O)c2ccco2)c1,0,0.0,
+CC(C)(C)NC(=O)c1ccc(COCC(F)(F)F)o1,0,0.0,
+CC(C)(C)NC(=O)c1ccc(COc2ccccc2Br)o1,0,0.0,
+CC(C)(C)NC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1,0,0.0,
+CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,0,0.0,
+CC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccc(F)cc3)CC1)C(=O)C(C)(C)O2,0,0.0,
+CC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3F)CC1)C(=O)C(C)(C)O2,0,0.0,
+CC(C)(C)NC(=O)c1ccc2nccnc2c1,0,0.0,
+CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1,0,0.0,
+CC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1,0,0.0,
+CC(C)(C)NC(=O)c1cnn2c1NC(c1ccc(F)cc1)CC2C(F)(F)F,0,0.0,
+CC(C)(C)NC(=O)c1sccc1C(=O)O,0,0.0,
+CC(C)(C)NC1=CC(=O)OC12CCCCC2,0,0.0,
+CC(C)(C)NCC(=O)c1c[nH]c2ccccc12,0,0.0,
+CC(C)(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2,0,0.0,
+CC(C)(C)NCC(O)COc1ccccc1C(C)(C)C,0,0.0,
+CC(C)(C)NCC(O)c1cc(O)cc(O)c1,1,100.0,0.0
+CC(C)(C)NCC1(CO)SC(N)=NC1=O,0,0.0,
+CC(C)(C)NCCCCOc1ccc(F)cc1,0,0.0,
+CC(C)(C)NCCCCOc1ccccc1F,0,0.0,
+CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1,0,0.0,
+CC(C)(C)NCc1cc2ccccc2[nH]c1=O,0,0.0,
+CC(C)(C)NCc1cccn1-c1sc2c(c1C#N)CCCC2,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)O)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc2nc(NC(=O)Cc3cccs3)sc2c1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1cccc2nsnc12,0,0.0,
+CC(C)(C)Nc1c(N)c(=O)oc2ccccc12,0,0.0,
+CC(C)(C)Nc1cccccc1=O,0,0.0,
+CC(C)(C)Nc1nc(C(N)=O)nc(N2CCOCC2)n1,0,0.0,
+CC(C)(C)Nc1nc(NC(C)(C)C)nc(-n2ccnc2)n1,0,0.0,
+CC(C)(C)Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0,0.0,
+CC(C)(C)Nc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1,0,0.0,
+CC(C)(C)Nc1nc(SCc2ccccc2)nc(N2CCOCC2)n1,0,0.0,
+CC(C)(C)Nc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+CC(C)(C)OC(=O)N1CC(O)CC1C(=O)OCC(=O)c1ccc(Cl)cc1,0,0.0,
+CC(C)(C)OC(=O)N1CC2Cc3[nH]c(=O)ccc3C(C2)C1,0,0.0,
+CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccs3)C2C1,0,0.0,
+CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccnc3)[C@H]2C1,0,0.0,
+CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCCC2)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCC(c2c(C(=O)O)cnn2-c2ccc(Cl)cc2)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCC(c2c(C(=O)O)cnn2-c2ccccc2)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCC(c2c(C(=O)O)cnn2-c2ccccc2Cl)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH][nH]2)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCCC(C(=O)CC#N)C1,0,0.0,
+CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O,0,0.0,
+CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCc2ccccc21,0,0.0,
+CC(C)(C)OC(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O,0,0.0,
+CC(C)(C)OC(=O)N1CCCC1C(=O)NCCc1ccccc1,0,0.0,
+CC(C)(C)OC(=O)N1CCCC1C(=O)O,0,0.0,
+CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC(C(=O)O)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC1CCC(C(=O)O)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SC/C=C/c2ccccc2)o1,0,0.0,
+CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2c(Cl)cccc2Cl)o1,0,0.0,
+CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2c(F)cccc2Cl)o1,0,0.0,
+CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Cl)cc2Cl)o1,0,0.0,
+CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccccc2Cl)o1,0,0.0,
+CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccccc2F)o1,0,0.0,
+CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)cc2)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)CC1,0,0.0,
+CC(C)(C)OC(=O)N1CCNc2ccccc2C1,0,0.0,
+CC(C)(C)OC(=O)N1CCOCCOCCN(C(=O)OC(C)(C)C)CCOCC1,0,0.0,
+CC(C)(C)OC(=O)N1CCOCCOCCN(C(=O)OC(C)(C)C)CCOCCOCC1,0,0.0,
+CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)O,0,0.0,
+CC(C)(C)OC(=O)NC(CCCCNC=O)C(=O)O,0,0.0,
+CC(C)(C)OC(=O)NC(CCNC=C1C(=O)OC(C)(C)OC1=O)C(=O)O,0,0.0,
+CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)O)CC1,0,0.0,
+CC(C)(C)OC(=O)NCC(=O)NCC(=O)OCc1ccccc1,0,0.0,
+CC(C)(C)OC(=O)NCCC(=O)Oc1ccc2ccc(=O)oc2c1,0,0.0,
+CC(C)(C)OC(=O)NCCCC(CCCNC(=O)OC(C)(C)C)C(=O)O,0,0.0,
+CC(C)(C)OC(=O)NCCCCCc1nnc(SCC(=O)Nc2ccc(Br)cc2)o1,0,0.0,
+CC(C)(C)OC(=O)NCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1,0,0.0,
+CC(C)(C)OC(=O)NCCCCCc1nnc(SCC(N)=O)o1,0,0.0,
+CC(C)(C)OC(=O)NCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1,0,0.0,
+CC(C)(C)OC(=O)NCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1,0,0.0,
+CC(C)(C)OC(=O)NCCc1nnc(SCC(=O)c2ccc(Cl)cc2)o1,0,0.0,
+CC(C)(C)OC(=O)NCCc1nnc(SCC(N)=O)o1,0,0.0,
+CC(C)(C)OC(=O)NCCc1nnc(SCc2ccccc2Cl)o1,0,0.0,
+CC(C)(C)OC(=O)NCc1nc(N)n[nH]1,0,0.0,
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCC(N)=O)o1,0,0.0,
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1,0,0.0,
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)Cc2ccccc2)o1,0,0.0,
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCC(=O)O)o1,0,0.0,
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)O)CC1,0,0.0,
+CC(C)(C)OC(=O)c1c(N)n(CCCN2CCCC2=O)c2nc3ccccc3nc12,0,0.0,
+CC(C)(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,0,0.0,
+CC(C)(C)OCC(NC(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C,0,0.0,
+CC(C)(C)Oc1ncc(Br)c(OC(C)(C)C)n1,0,0.0,
+CC(C)(C)P(=NC(=O)c1ccc(F)cc1)(N1CCOCC1)N1CCOCC1,0,0.0,
+CC(C)(C)P(=NC(=O)c1ccccc1F)(N1CCOCC1)N1CCOCC1,0,0.0,
+CC(C)(C)P(=O)(CO)c1ccccc1,1,100.0,0.0
+CC(C)(C)P(=O)(c1ccncc1)N1CCCC1,0,0.0,
+CC(C)(C)S(=O)(=O)c1c(C(=O)O)cccc1C(=O)O,0,0.0,
+CC(C)(C)S(=O)(=O)c1ccc2nc3c(n2c1)CCCC3,0,0.0,
+CC(C)(C)S(=O)(=O)c1ccccc1C(=O)O,0,0.0,
+CC(C)(C)SCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O,0,0.0,
+CC(C)(C)SCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O,0,0.0,
+CC(C)(C)SCCNC(=O)COc1ccc(Cl)cc1,0,0.0,
+CC(C)(C)SCCNC(=O)COc1ccccc1,0,0.0,
+CC(C)(C)SCCNC(=O)CSc1ccccc1,0,0.0,
+CC(C)(C)SCCNC(=O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+CC(C)(C)SCCNS(=O)(=O)c1ccc(F)cc1,0,0.0,
+CC(C)(C)SCCNS(=O)(=O)c1ccccc1,0,0.0,
+CC(C)(C)Sc1ccc(N)nc1,0,0.0,
+CC(C)(C)Sc1nc(O)cc(=O)[nH]1,0,0.0,
+CC(C)(C)c1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2,0,0.0,
+CC(C)(C)c1[nH]nc2c1C(c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2,0,0.0,
+CC(C)(C)c1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2,0,0.0,
+CC(C)(C)c1[nH]nc2c1C(c1ccccc1OC(=O)N1CCOCC1)C(C#N)=C(N)O2,0,0.0,
+CC(C)(C)c1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2,1,100.0,0.0
+CC(C)(C)c1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2,0,0.0,
+CC(C)(C)c1cc(-c2ccco2)c(C#N)c(SCC#N)n1,0,0.0,
+CC(C)(C)c1cc(=O)n2c(C#N)c(C#N)nc2[nH]1,0,0.0,
+CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ncn[nH]1,0,0.0,
+CC(C)(C)c1cc(C(=O)N2CCN(c3ncccn3)CC2)ccn1,0,0.0,
+CC(C)(C)c1cc(C(=O)N2CCc3ccccc32)ccn1,0,0.0,
+CC(C)(C)c1cc(C(=O)NCc2ccccc2)ccn1,1,100.0,0.0
+CC(C)(C)c1cc(C(=O)NCc2cccnc2)ccn1,0,0.0,
+CC(C)(C)c1cc(C(=O)NCc2ccco2)ccn1,0,0.0,
+CC(C)(C)c1cc(C(=O)O)c(CN2CCCCC2)o1,0,0.0,
+CC(C)(C)c1cc(C(=O)O)nn1-c1ccccc1,0,0.0,
+CC(C)(C)c1cc(C(=S)N2CCN(CCO)CC2)cc(C(C)(C)C)c1O,0,0.0,
+CC(C)(C)c1cc(C(F)(F)F)nc(SCCCNC(=O)c2ccco2)n1,0,0.0,
+CC(C)(C)c1cc(C(c2cccnc2)N2CCN(CCO)CC2)cc(C(C)(C)C)c1O,0,0.0,
+CC(C)(C)c1cc(CCC(=O)N2CCNCC2)c(C(C)(C)C)cc1O,0,0.0,
+CC(C)(C)c1cc(CN(CCO)CCO)cc(C(C)(C)C)c1O,0,0.0,
+CC(C)(C)c1cc(CN2CCCC(O)C2)c(O)c(C(C)(C)C)c1,0,0.0,
+CC(C)(C)c1cc(CN2CCN(CCC#N)CC2)cc(C(C)(C)C)c1O,1,100.0,
+CC(C)(C)c1cc(CN2CCN(CCO)CC2)cc(C(C)(C)C)c1O,0,0.0,
+CC(C)(C)c1cc(CN2CCOCC2)c(C(=O)O)o1,0,0.0,
+CC(C)(C)c1cc(CNC2CS(=O)(=O)C[C@@H]2O)cc(C(C)(C)C)c1O,0,0.0,
+CC(C)(C)c1cc(Cc2ccccc2)[nH]n1,0,0.0,
+CC(C)(C)c1cc(NC(=O)C2CCCO2)no1,0,0.0,
+CC(C)(C)c1cc(NC(=O)COC(=O)C2CC2)n(-c2ccccc2)n1,0,0.0,
+CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)n(-c2ccccc2)n1,0,0.0,
+CC(C)(C)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)no1,0,0.0,
+CC(C)(C)c1cc(NC(=O)c2cccnc2)no1,0,0.0,
+CC(C)(C)c1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)on1,0,0.0,
+CC(C)(C)c1ccc(-c2cc(N)n[nH]2)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2conc2N)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3ccncc3)o2)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nnc(SCC(=O)O)n2N)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nnc(SCCC#N)n2C2CCCC2)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1,1,100.0,
+CC(C)(C)c1ccc(-c2noc(CCC(N)=O)n2)cc1,0,0.0,
+CC(C)(C)c1ccc(C(=O)/C=C2\NC(=O)CS2)cc1,0,0.0,
+CC(C)(C)c1ccc(C(=O)C=[N+]=[N-])cc1,0,0.0,
+CC(C)(C)c1ccc(C(=O)CCCSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1,0,0.0,
+CC(C)(C)c1ccc(C(=O)CSc2ncn[nH]2)cc1,0,0.0,
+CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCc3ccncc3)CC2)cc1,0,0.0,
+CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccco2)cc1,0,0.0,
+CC(C)(C)c1ccc(C(=O)NCc2cccnc2)cc1,0,0.0,
+CC(C)(C)c1ccc(C(=O)Nc2cnccn2)cc1,0,0.0,
+CC(C)(C)c1ccc(C(=O)Nc2nonc2-c2nc3ccccc3[nH]2)cc1,0,0.0,
+CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,0,0.0,
+CC(C)(C)c1ccc(Cn2nnc3c(=O)[nH]c(C4CCCN(C(=O)Cc5cccs5)C4)nc32)cc1,0,0.0,
+CC(C)(C)c1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)Cc5cccs5)CC4)nc32)cc1,0,0.0,
+CC(C)(C)c1ccc(NC(=O)CC2(C(F)(F)F)OCCO2)cc1,0,0.0,
+CC(C)(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1,0,0.0,
+CC(C)(C)c1ccc(NC(=O)NCc2ccco2)cc1,0,0.0,
+CC(C)(C)c1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1,0,0.0,
+CC(C)(C)c1ccc(O)c(N)c1,0,0.0,
+CC(C)(C)c1ccc(OCC(=O)N2CCN(C=O)CC2)cc1,0,0.0,
+CC(C)(C)c1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1,0,0.0,
+CC(C)(C)c1ccc(OCC(=O)NCc2ccco2)c(Br)c1,0,0.0,
+CC(C)(C)c1ccc(OCC(=O)NCc2ccco2)cc1,0,0.0,
+CC(C)(C)c1ccc(OCC(=O)O)cc1,0,0.0,
+CC(C)(C)c1ccc(OCC(O)CS(=O)(=O)c2ccccn2)cc1,1,100.0,0.0
+CC(C)(C)c1ccc(OCCN2CCCC2)cc1,0,0.0,
+CC(C)(C)c1ccc(OCCn2ccccc2=O)cc1,0,0.0,
+CC(C)(C)c1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1,0,0.0,
+CC(C)(C)c1ccc(S(=O)(=O)N2CCCC2C(=O)NC2=NCCS2)cc1,0,0.0,
+CC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2C(=O)NCc2ccccn2)cc1,0,0.0,
+CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,0,0.0,
+CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+CC(C)(C)c1ccc(S(=O)(=O)NCCOCC(F)(F)C(F)F)cc1,0,0.0,
+CC(C)(C)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1,0,0.0,
+CC(C)(C)c1ccc(S(=O)(=O)n2c(CN3CCOCC3)nc3ccccc32)cc1,0,0.0,
+CC(C)(C)c1ccc(SCC(N)=O)cc1,0,0.0,
+CC(C)(C)c1ccc2c(c1)N(CC(=O)O)C(=O)CO2,0,0.0,
+CC(C)(C)c1ccc2c(c1)OCC(C(=O)O)O2,0,0.0,
+CC(C)(C)c1cccc(/C=N/O)c1O,0,0.0,
+CC(C)(C)c1ccccc1NC(=O)c1cccnc1,0,0.0,
+CC(C)(C)c1ccccc1NC(=O)c1ccco1,0,0.0,
+CC(C)(C)c1ccccc1OCC(=O)NCCC(=O)O,1,100.0,0.0
+CC(C)(C)c1ccccc1OCC(=O)Nc1ncn[nH]1,0,0.0,
+CC(C)(C)c1ccccc1OCCCCCNCCO,0,0.0,
+CC(C)(C)c1ccccc1OCCN1CCCC1,1,100.0,1.0
+CC(C)(C)c1cn(-c2ccccc2)c(=S)[nH]1,0,0.0,
+CC(C)(C)c1cnnn1-c1ccc(-c2csc(N)n2)cc1,0,0.0,
+CC(C)(C)c1cnnn1-c1ccc(NC(=O)c2ccc(Br)o2)cc1,1,100.0,1.0
+CC(C)(C)c1cnnn1-c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,0,0.0,
+CC(C)(C)c1csc(N(CCC#N)CCC#N)n1,0,0.0,
+CC(C)(C)c1csc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)n1,0,0.0,
+CC(C)(C)c1csc(NC(=O)Cn2c(=O)oc3ccccc32)n1,0,0.0,
+CC(C)(C)c1csc(NC(=O)Cn2cnc3ccccc3c2=O)n1,0,0.0,
+CC(C)(C)c1csc(NC(=O)c2ccc(Cl)s2)n1,0,0.0,
+CC(C)(C)c1csc(NC(=O)c2cccs2)n1,0,0.0,
+CC(C)(C)c1n[nH]c(=S)n(N)c1=O,0,0.0,
+CC(C)(C)c1nc(CN2CCCCC2)cc(CN2CCCCC2)c1O,0,0.0,
+CC(C)(C)c1nc(CN2CCOCC2)ccc1O,0,0.0,
+CC(C)(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c2nnn(Cc3ccccc3Cl)c2n1,0,0.0,
+CC(C)(C)c1nc(NCC2CCCO2)c2nnn(Cc3ccccc3)c2n1,0,0.0,
+CC(C)(C)c1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1,0,0.0,
+CC(C)(C)c1nc(SCC(=O)NCc2ccco2)c2ccccc2n1,0,0.0,
+CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)NCc3ccco3)n12,0,0.0,
+CC(C)(C)c1nc2scc(-c3cccs3)c2c(=O)o1,0,0.0,
+CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccco3)cc12,0,0.0,
+CC(C)(C)c1nnc(NC(=O)C2CCN(c3ncccn3)CC2)s1,0,0.0,
+CC(C)(C)c1nnc(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)s1,0,0.0,
+CC(C)(C)c1nnc2sc(SC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)nn2c1=O,0,0.0,
+CC(C)(C)c1nnc2sc(SCC(=O)N3CCCc4ccccc43)nn2c1=O,0,0.0,
+CC(C)(C)c1nnc2sc(SCC(=O)c3ccccc3)nn2c1=O,0,0.0,
+CC(C)(C)c1nnc2sc(SCC(=O)c3cccs3)nn2c1=O,0,0.0,
+CC(C)(C)c1nnc2sc(SCCN3C(=O)c4ccccc4C3=O)nn2c1=O,0,0.0,
+CC(C)(C)c1noc2c1C(c1cccnc1)C(C#N)=C(N)N2,0,0.0,
+CC(C)(C)n1c(=O)[nH]c2c(c1=O)CCC2,0,0.0,
+CC(C)(C)n1c(O)c(C=Nc2ccc3c(c2)CCC3)c(=O)[nH]c1=O,0,0.0,
+CC(C)(C)n1cnc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21,0,0.0,
+CC(C)(C)n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)CCCc1ccccc1)C[S+]([O-])C2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)COc1ccc3ccccc3c1)C[S+]([O-])C2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)Cc1ccc(F)cc1)CSC2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)Cc1cccc3ccccc13)C[S+]([O-])C2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)Cc1cccs1)CSC2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)cc1)C[S+]([O-])C2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)o1)C[S+]([O-])C2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)C[S+]([O-])C2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CSC2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)C[S+]([O-])C2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)c1cccc(C(F)(F)F)c1)C[S+]([O-])C2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1F)C[S+]([O-])C2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)c1ccco1)C[S+]([O-])C2,0,0.0,
+CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)C[S+]([O-])C2,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCCCCC3)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCCc4ccccc43)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)NC3CCCCC3)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)NCCc3ccccc3)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccc(F)cc3)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3Cl)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccco3)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3ccccc3)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)c3ccc(Cl)cc3)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(CC(=O)c3ccccc3)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(Cc3c(F)cccc3Cl)cnc21,0,0.0,
+CC(C)(C)n1ncc2c(=O)n(Cc3ccc(Cl)cc3Cl)cnc21,0,0.0,
+CC(C)(C)n1nnc(CCc2nnn(C(C)(C)C)n2)n1,0,0.0,
+CC(C)(C)n1nnnc1C(c1cc2cc3c(cc2[nH]c1=O)OCCO3)N1CCSCC1,0,0.0,
+CC(C)(C)n1nnnc1C(c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2)CC1,0,0.0,
+CC(C)(C)n1nnnc1C(c1ccc(C#N)cc1)N1CCCC2(CCCCC2)C1,0,0.0,
+CC(C)(C)n1nnnc1C(c1ccc2ncccc2c1)N1CCSCC1,0,0.0,
+CC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCC(Cc2ccccc2)CC1,0,0.0,
+CC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCCc2ccccc21,0,0.0,
+CC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCN2CCCC2C1,0,0.0,
+CC(C)(C)n1nnnc1C(c1cccc(C(F)(F)F)c1)N1CCOCC1,0,0.0,
+CC(C)(C)n1nnnc1C(c1ccccc1)N1CCc2ccccc2C1,1,100.0,1.0
+CC(C)(C)n1nnnc1C(c1ccccc1F)N(Cc1ccco1)CC1CCCO1,0,0.0,
+CC(C)(C)n1nnnc1C(c1ccccc1F)N1CCN(C2CCCC2)CC1,0,0.0,
+CC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(C2CCCCC2)CC1,0,0.0,
+CC(C)(C)n1nnnc1C(c1cccs1)N(Cc1ccccc1)Cc1cccnc1,1,100.0,1.0
+CC(C)(C)n1nnnc1C(c1cccs1)N(Cc1ccccc1)Cc1ccco1,0,0.0,
+CC(C)(C)n1nnnc1C(c1cccs1)N(Cc1cccnc1)CC1CCCO1,1,100.0,1.0
+CC(C)(C)n1nnnc1C(c1cccs1)N1CCCc2ccccc21,0,0.0,
+CC(C)(C)n1nnnc1C(c1cccs1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+CC(C)(C)n1nnnc1C(c1ccncc1)N1CCCCCC1,0,0.0,
+CC(C)(C)n1nnnc1C(c1ccncc1)N1CCN(C2CCCCC2)CC1,0,0.0,
+CC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0.0,
+CC(C)(C)n1nnnc1CN1C2CCC1CC(NC(=O)Nc1ccccc1)C2,0,0.0,
+CC(C)(C)n1nnnc1CN1CCC(NC(=O)NC2CCCCC2)CC1,0,0.0,
+CC(C)(C)n1nnnc1CN1CCN(C2CCCC2)CC1,0,0.0,
+CC(C)(CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1,1,100.0,
+CC(C)(CC(=O)O)Cc1nc(-c2ccc(Cl)cc2)no1,0,0.0,
+CC(C)(CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CC(C)(CN=C1NS(=O)(=O)c2ccccc21)CNC(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)(CNC(=O)C1CCCC1)CNC(=O)C1CCCC1,0,0.0,
+CC(C)(CNC(=O)c1cc2ccccc2o1)N1CCOCC1,0,0.0,
+CC(C)(CNC(=O)c1cccs1)CNC(=O)c1cccs1,0,0.0,
+CC(C)(CNCC(O)c1ccccc1)N1CCOCC1,0,0.0,
+CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1,0,0.0,
+CC(C)(CNS(=O)(=O)c1ccc(F)cc1)CNS(=O)(=O)c1ccc(F)cc1,0,0.0,
+CC(C)(CO)NC(=O)C(c1ccccc1)c1ccccc1,0,0.0,
+CC(C)(CO)NC(=O)CCCOc1ccc(Cl)cc1Cl,0,0.0,
+CC(C)(CO)NCc1ccccc1OCC(=O)Nc1ccccc1,0,0.0,
+CC(C)(CO)NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NC(C)(C)CO)ccc12,0,0.0,
+CC(C)(CSc1nncn1/N=C/c1ccco1)NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CC(C)(CSc1nncn1N)NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CC(C)(NC(=O)N1CCCC1)c1cccc(C(C)(C)NC(=O)N2CCCC2)c1,0,0.0,
+CC(C)(NCc1ccccc1Cl)C(=O)O,0,0.0,
+CC(C)(NO)/C(=N/O)c1ccc(Br)cc1,0,0.0,
+CC(C)(NO)/C(=N/O)c1cccs1,0,0.0,
+CC(C)(O)/C=C1/Oc2ccccc2C1N1CCCCC1,0,0.0,
+CC(C)(O)C#CC#CCN1CCOCC1,1,100.0,0.0
+CC(C)(O)C#Cc1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1,0,0.0,
+CC(C)(O)C#Cc1ccc(C(=O)N2CCCC2C(=O)O)s1,0,0.0,
+CC(C)(O)C#Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+CC(C)(O)C#Cc1ccc(C(=O)NCc2cccs2)s1,0,0.0,
+CC(C)(O)C#Cc1ccccc1C(=O)NC(CC(N)=O)C(=O)O,0,0.0,
+CC(C)(O)C1=NOC(c2ccccc2)C1,0,0.0,
+CC(C)(O)P(C)(=O)c1ccccc1,0,0.0,
+CC(C)(O)c1cc(=O)sc2nc3ccccc3n12,0,0.0,
+CC(C)(O)c1cn(-c2nonc2N)nn1,0,0.0,
+CC(C)(O)c1nnn(-c2ccccc2)c1C(F)(F)F,0,0.0,
+CC(C)(Oc1ccc(-c2ccco2)cc1)C(=O)O,0,0.0,
+CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,0,0.0,
+CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCSC1=O,0,0.0,
+CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1,0,0.0,
+CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccco1,0,0.0,
+CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccncc1,0,0.0,
+CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,0,0.0,
+CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccnc1,0,0.0,
+CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncccn1,0,0.0,
+CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)N1CCCC1,0,0.0,
+CC(C)(Oc1cccc2ccccc12)C(=O)O,0,0.0,
+CC(C)(S)[C@@H](N)C(=O)O,0,0.0,
+CC(C)/C=C1\CCCCC1N(C)C(=O)NC(C)C,0,0.0,
+CC(C)=C(C#N)c1nc2ccccc2s1,0,0.0,
+CC(C)=C(NC(=O)c1ccccc1)C(=O)N1CCOCC1,0,0.0,
+CC(C)=C(NC(=O)c1ccccc1)C(=O)NCCCC(=O)O,0,0.0,
+CC(C)=C(NC(=O)c1ccco1)C(=O)NCCc1nc2ccccc2[nH]1,0,0.0,
+CC(C)=C1C2C=CC1C(C(=O)Nc1cc(C)ccc1C)C2C(=O)O,0,0.0,
+CC(C)=C1C2C=CC1C(C(=O)Nc1cccc(C)c1)C2C(=O)O,0,0.0,
+CC(C)=C1C2C=CC1C1C(=O)N(c3ccc4c(c3)OCO4)C(=O)C21,0,0.0,
+CC(C)=C1C2CC2C2C(C(=O)O)C12,0,0.0,
+CC(C)=C1C2CCC1C(C(=O)NCc1ccccc1)C2C(=O)O,0,0.0,
+CC(C)=C1SC(N2CCN(Cc3ccccc3)CC2)=NC1=O,0,0.0,
+CC(C)=CC(=O)N1CCCc2ccccc21,0,0.0,
+CC(C)=CC(=O)NCCc1ccccc1,0,0.0,
+CC(C)=CC(=O)Nc1ccc(Br)cc1,0,0.0,
+CC(C)=CC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+CC(C)=CC(=O)Nc1ccccc1Br,0,0.0,
+CC(C)=CC(=O)Nc1ccccc1C(N)=O,0,0.0,
+CC(C)=CC(=O)Nc1nnc(-c2cccnc2)s1,0,0.0,
+CC(C)=CC(=O)OCC(=O)NC(=O)NC(C)(C)C,0,0.0,
+CC(C)=CC(=O)OCC(=O)Nc1ccc(F)cc1Cl,0,0.0,
+CC(C)=CC(=O)OCC(=O)Nc1ccccc1Cl,0,0.0,
+CC(C)=CC(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl,0,0.0,
+CC(C)=CC/C=C1\CCC(C(=O)O)C(C(=O)O)C1,1,100.0,0.0
+CC(C)=CC1C(C(=O)Nc2ccc(Br)cn2)C1(C)C,0,0.0,
+CC(C)=CCC(C)(C)C1OCCN1C(=O)Nc1ccccc1,0,0.0,
+CC(C)=CCC(C)(C)C1OCCN1C(=O)c1ccccc1,0,0.0,
+CC(C)=CCC(C)(C)CNC(=O)NC1CCCCC1,0,0.0,
+CC(C)=CCC/C(C)=C/CC/C(C)=N/O,0,0.0,
+CC(C)=CCC/C(C)=C/CCC(C)NCCN1CCNCC1,1,100.0,1.0
+CC(C)=CCC/C(C)=C/CN(CC(C)O)CC(C)O,0,0.0,
+CC(C)=CCC12CN3CCN(CC(C3)C1=O)C2,0,0.0,
+CC(C)=CCCC(C)CN(C)CCc1ccccn1,1,100.0,1.0
+CC(C)=CCCC(C)CN1CCC(O)CC1,0,0.0,
+CC(C)=CCCC(C)N(C=O)C(C)CCC=C(C)C,0,0.0,
+CC(C)=CCCC(C)NC(=O)NC1CCCCC1,0,0.0,
+CC(C)=CCSc1nnc(CCNC(=O)OC(C)(C)C)o1,0,0.0,
+CC(C)=CCSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1,0,0.0,
+CC(C)=CCSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1,0,0.0,
+CC(C)=CCc1c(C)nc2ccccc2c1C(=O)O,0,0.0,
+CC(C)C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1,0,0.0,
+CC(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)(C)C,0,0.0,
+CC(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)C,0,0.0,
+CC(C)C(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1,0,0.0,
+CC(C)C(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1,0,0.0,
+CC(C)C(=O)N1CCC(CN=Cc2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)CC1,0,0.0,
+CC(C)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,0,0.0,
+CC(C)C(=O)N1CCN(CCN=CC2=C(O)CC(c3ccco3)CC2=O)CC1,0,0.0,
+CC(C)C(=O)N1CCN(CCN=Cc2c(O)n(C)c(=O)n(C)c2=O)CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2ccccc2N)CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CC(C)(C)OC3)CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCCC3)CC1,0,0.0,
+CC(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21,0,0.0,
+CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1,0,0.0,
+CC(C)C(=O)N=c1sc2cc(F)cc(F)c2n1C,0,0.0,
+CC(C)C(=O)NC(C)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(C)C(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+CC(C)C(=O)NC(C)C(c1cccs1)N1CCOCC1,0,0.0,
+CC(C)C(=O)NC(c1ccco1)c1ccc2cccnc2c1O,0,0.0,
+CC(C)C(=O)NCCc1nc2ccccc2n1C,0,0.0,
+CC(C)C(=O)NCCn1ccc2ccccc21,0,0.0,
+CC(C)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12,0,0.0,
+CC(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2,0,0.0,
+CC(C)C(=O)Nc1c2c(nc3ccccc13)N(C)CC2,0,0.0,
+CC(C)C(=O)Nc1cc(=O)[nH]c2ncnn12,0,0.0,
+CC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+CC(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2,0,0.0,
+CC(C)C(=O)Nc1ccc(-c2nc3cccnc3o2)cc1,0,0.0,
+CC(C)C(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+CC(C)C(=O)Nc1ccc(C(=O)NC2CCSC2=O)cc1,0,0.0,
+CC(C)C(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1,0,0.0,
+CC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1,0,0.0,
+CC(C)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+CC(C)C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,0,0.0,
+CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1,0,0.0,
+CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1,0,0.0,
+CC(C)C(=O)Nc1ccc(NC(=O)c2ccccn2)cn1,0,0.0,
+CC(C)C(=O)Nc1ccc(NC(=O)c2ccco2)cn1,0,0.0,
+CC(C)C(=O)Nc1ccc(NC(=O)c2cccs2)cn1,0,0.0,
+CC(C)C(=O)Nc1ccc(Nc2ccccc2)cc1,0,0.0,
+CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)O)C2=O,0,0.0,
+CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCSC1,0,0.0,
+CC(C)C(=O)Nc1cccc(-c2cn3ccsc3n2)c1,0,0.0,
+CC(C)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1,0,0.0,
+CC(C)C(=O)Nc1cccc(C(=O)NC2CCSC2=O)c1,0,0.0,
+CC(C)C(=O)Nc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1,0,0.0,
+CC(C)C(=O)Nc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1,0,0.0,
+CC(C)C(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1,0,0.0,
+CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1,0,0.0,
+CC(C)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1,0,0.0,
+CC(C)C(=O)Nc1cccc(C(=O)Nc2nncs2)c1,0,0.0,
+CC(C)C(=O)Nc1cccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1,1,100.0,
+CC(C)C(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1,0,0.0,
+CC(C)C(=O)Nc1cccc(NC(=O)c2cccnc2)c1,0,0.0,
+CC(C)C(=O)Nc1cccc2nsnc12,0,0.0,
+CC(C)C(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1,0,0.0,
+CC(C)C(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1,0,0.0,
+CC(C)C(=O)Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1,0,0.0,
+CC(C)C(=O)Nc1nnc(-c2ccccc2)o1,0,0.0,
+CC(C)C(=O)Nc1nnc(CCc2nnc(NC(=O)C(C)C)s2)s1,0,0.0,
+CC(C)C(=O)Nc1nnc(Cc2ccccc2)s1,0,0.0,
+CC(C)C(=O)Nc1nnc(SCC(=O)NC2CC2)s1,0,0.0,
+CC(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1,0,0.0,
+CC(C)C(=O)Nc1nnn(C)n1,0,0.0,
+CC(C)C(=O)c1cn(CC(=O)NCC2CCCO2)c2ccccc12,0,0.0,
+CC(C)C(=O)c1cn(Cc2ccccc2C#N)c2ccccc12,0,0.0,
+CC(C)C(C(=O)C=[N+]=[N-])N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)C(C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)C(C(=O)NC(C)(C)C)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)C(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1,0,0.0,
+CC(C)C(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1,0,0.0,
+CC(C)C(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1,0,0.0,
+CC(C)C(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1,0,0.0,
+CC(C)C(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1,0,0.0,
+CC(C)C(C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)C(C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)C(C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)C(C(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)C(C(=O)Nc1cccnc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)C(C(=O)Nc1nccs1)c1ccccc1,0,0.0,
+CC(C)C(C(=O)Nc1ncn[nH]1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)C(C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)C(C)(C#N)NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1,0,0.0,
+CC(C)C(C)(C#N)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1,0,0.0,
+CC(C)C(CC(=O)N1CCCCC1)C1CCOC(C)(C)C1,0,0.0,
+CC(C)C(CC(=O)NCc1ccco1)c1ccco1,0,0.0,
+CC(C)C(CCN1C(=O)CCC1=O)C1CCOC(C)(C)C1,0,0.0,
+CC(C)C(CCNC(=O)CN1C(=O)c2ccccc2C1=O)c1ccco1,0,0.0,
+CC(C)C(CO)NC(=O)CC(=O)NC(CO)C(C)C,0,0.0,
+CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC1=NCCS1,0,0.0,
+CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O,0,0.0,
+CC(C)C(NC(=O)C1CCCCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+CC(C)C(NC(=O)C1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+CC(C)C(NC(=O)C1CCCCC1)C(=O)NCc1ccccn1,0,0.0,
+CC(C)C(NC(=O)C1CCCCC1)C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CC(C)C(NC(=O)C1CCCCC1)C(=O)Nc1ccccn1,0,0.0,
+CC(C)C(NC(=O)C1CCCCC1)C(=O)Nc1ccncc1,0,0.0,
+CC(C)C(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O,0,0.0,
+CC(C)C(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(C)C,0,0.0,
+CC(C)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCc1ccccc1,0,0.0,
+CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(N)=O,0,0.0,
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C,0,0.0,
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1C(C)CCCC1C,0,0.0,
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCCCC1,0,0.0,
+CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)NCc1ccco1,0,0.0,
+CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1=NCCS1,0,0.0,
+CC(C)C(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1,0,0.0,
+CC(C)C(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCCc1ccccn1,0,0.0,
+CC(C)C(NC(=O)c1ccccc1)C(=O)NC1=NCCS1,0,0.0,
+CC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccccn1,0,0.0,
+CC(C)C(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)O,0,0.0,
+CC(C)C(NC(=O)c1ccco1)C(=O)NCC(c1ccco1)N1CCCCC1,0,0.0,
+CC(C)C(NC(=O)c1cccs1)C(=O)NC1=NCCS1,0,0.0,
+CC(C)C(NC(=O)c1cccs1)c1nnc(SCC(=O)Nc2nccs2)n1C,0,0.0,
+CC(C)C(NCc1c(Cl)cccc1Cl)C(=O)O,0,0.0,
+CC(C)C(NS(=O)(=O)c1ccc(Br)s1)C(=O)O,0,0.0,
+CC(C)C(NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCCc1ccccn1,0,0.0,
+CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(C2CCCCC2)CC1,0,0.0,
+CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+CC(C)C(NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2)C(=O)O,0,0.0,
+CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)N1CCc2ccccc2C1,0,0.0,
+CC(C)C(NS(=O)(=O)c1cccs1)C(=O)N1CCc2ccccc2C1,0,0.0,
+CC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCCN1CCN(c2ccccc2)CC1,0,0.0,
+CC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CC(C)C(O)P(=O)(OCc1ccccc1)c1ccc(N(C)C)cc1,0,0.0,
+CC(C)C(OC(=O)C1CCCO1)C(=O)NC1CCCC1,0,0.0,
+CC(C)C(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1,0,0.0,
+CC(C)C(OC(=O)c1cc2occc2n1C)C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CC(C)C(OC(=O)c1cc2sccc2n1C)C(=O)NCC1CCCO1,0,0.0,
+CC(C)C(OC(=O)c1ccco1)C(=O)NC1CCCCC1,0,0.0,
+CC(C)C(OC(=O)c1ccco1)C(=O)NCc1ccccc1,0,0.0,
+CC(C)C(OC(=O)c1ccco1)C(=O)NCc1ccco1,0,0.0,
+CC(C)C(OC(=O)c1ccco1)C(=O)NCc1cccs1,0,0.0,
+CC(C)C(OC(=O)c1cccs1)C(=O)NCc1ccco1,0,0.0,
+CC(C)C(OC(=O)c1cccs1)C(=O)NCc1cccs1,0,0.0,
+CC(C)C(c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cccs1,0,0.0,
+CC(C)C(c1nnnn1C(C)(C)C)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+CC(C)C(c1nnnn1C1CCCC1)N(C)C1CCCCC1,0,0.0,
+CC(C)C(c1nnnn1C1CCCC1)N1CCCc2ccccc21,0,0.0,
+CC(C)C(c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CC(C)C(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1,0,0.0,
+CC(C)C(c1nnnn1C1CCCC1)N1CCc2ccccc21,0,0.0,
+CC(C)C(c1nnnn1C1CCCC1)N1c2ccccc2CC1C,0,0.0,
+CC(C)C(c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1,0,0.0,
+CC(C)C(c1nnnn1C1CCCCC1)N1CCOCC1,0,0.0,
+CC(C)C(c1nnnn1C1CCCCC1)N1CCc2ccccc2C1,0,0.0,
+CC(C)C(c1nnnn1CC1CCCO1)N1CCN(C2CCCC2)CC1,0,0.0,
+CC(C)C(c1nnnn1CC1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CC(C)C(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CC(C)C(c1nnnn1CCc1ccccc1)N1CCOCC1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccccc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0.0,
+CC(C)C(c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cccs1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccccc1)N1CCN(Cc2ccco2)CC1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccccc1)N1CCSCC1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccccc1)N1CCc2ccccc2C1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccco1)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+CC(C)C(c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+CC(C)C(c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1,0,0.0,
+CC(C)C(c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+CC(C)C1(C)C(=O)N=C2c3ccccc3C(=O)N21,0,0.0,
+CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O,0,0.0,
+CC(C)C12CCC(C(=O)O)C(C1)C(=O)O2,0,0.0,
+CC(C)C12CN3CC(C(C)C)(CN(C1)C31C(=O)Nc3ccccc31)C2=O,0,0.0,
+CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O,0,0.0,
+CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccc1)C2O,0,0.0,
+CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccc1O)C2=O,0,0.0,
+CC(C)C12CN3CCN(CC(C3)C1O)C2,0,0.0,
+CC(C)C1=C2CCCCC2NC(=O)N1,0,0.0,
+CC(C)C1=C2OC(N)=C(C#N)C(C#N)=C2C(C)CC1,0,0.0,
+CC(C)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21,1,100.0,
+CC(C)C1C(C#N)=C(N)Oc2n[nH]c(-c3cccs3)c21,0,0.0,
+CC(C)C1C(C#N)=C(N)Oc2n[nH]c(C(C)(C)C)c21,0,0.0,
+CC(C)C1C(C#N)=C(N)SC(N)=C1C#N,0,0.0,
+CC(C)C1C2=C(CC(C)(C)CC2=O)ON1c1ccccc1,0,0.0,
+CC(C)C1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N,0,0.0,
+CC(C)C1CC(O)(C2(O)CCCCC2)ON1,0,0.0,
+CC(C)C1CC(c2csc(N)n2)CCO1,0,0.0,
+CC(C)C1Cc2[nH]c(=O)c(C(=O)O)cc2CO1,0,0.0,
+CC(C)C1Cc2c(C#N)c(N)n(C)c(=S)c2CO1,0,0.0,
+CC(C)C1Cc2c(C#N)c(N)sc(=S)c2CO1,0,0.0,
+CC(C)C1Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nncn32)CO1,0,0.0,
+CC(C)C1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nncn32)CO1,0,0.0,
+CC(C)C1N(C(=O)CN2CCCC2)CCN1S(=O)(=O)c1ccccc1,0,0.0,
+CC(C)C1N(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,0,0.0,
+CC(C)C1N(c2ccccc2)C(N)=C(C#N)C1(C#N)C#N,0,0.0,
+CC(C)C1N=C2c3ccccc3N=C(SCC#N)N2C1=O,0,0.0,
+CC(C)C1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O,0,0.0,
+CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(O)c(O)c3)N2C1=O,0,0.0,
+CC(C)C1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O,0,0.0,
+CC(C)C1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O,0,0.0,
+CC(C)C1NC2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccc(F)cc3)C(=O)C12,0,0.0,
+CC(C)C1Nc2ccc(S(N)(=O)=O)cc2C2C=CCC21,0,0.0,
+CC(C)C1O/C(=N/C(=O)Nc2ccc(Cl)c(Cl)c2)NC1=O,0,0.0,
+CC(C)C1Oc2ccccc2N(CC(=O)N(Cc2ccccn2)CC2CCCO2)C1=O,0,0.0,
+CC(C)C1Oc2ccccc2N(CC(=O)NCCCN2C(C)CCCC2C)C1=O,0,0.0,
+CC(C)CC(/C(O)=C(\C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)CC(=O)CN1C(=O)C2(OCCO2)c2ccccc21,0,0.0,
+CC(C)CC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+CC(C)CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1,0,0.0,
+CC(C)CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1,1,100.0,0.0
+CC(C)CC(=O)N1CCN(Cc2cccc(F)c2)CC1,0,0.0,
+CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CC(C)CC(=O)N1CCN(S(C)(=O)=O)CC1,1,100.0,0.0
+CC(C)CC(=O)N=C1SC2CS(=O)(=O)CC2N1CCc1ccccc1,0,0.0,
+CC(C)CC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1,0,0.0,
+CC(C)CC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)CC(=O)NCC(C)NC(=O)CC(C)C,0,0.0,
+CC(C)CC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2,0,0.0,
+CC(C)CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1,0,0.0,
+CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1,0,0.0,
+CC(C)CC(=O)Nc1ccc(F)c(Cl)c1,0,0.0,
+CC(C)CC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1,0,0.0,
+CC(C)CC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,0,0.0,
+CC(C)CC(=O)Nc1cccc(-c2cn3ccsc3n2)c1,0,0.0,
+CC(C)CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1,0,0.0,
+CC(C)CC(=O)Nc1ccccc1-c1nnn(CC(=O)N2CCOCC2)n1,0,0.0,
+CC(C)CC(=O)Nc1ccccc1N1CCCC1,0,0.0,
+CC(C)CC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1,0,0.0,
+CC(C)CC(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+CC(C)CC(=O)Nc1ncnc2c1C(=O)CC(C)(C)C2,0,0.0,
+CC(C)CC(=O)Nc1nnn(C)n1,0,0.0,
+CC(C)CC(C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)CC(C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)CC(C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N)N1C(=O)c2ccccc2C1=O,1,100.0,
+CC(C)CC(C(=O)Nn1cnnc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)CC(C(=O)O)C(C)CC(=O)Nc1ccn(-c2ccccc2)n1,0,0.0,
+CC(C)CC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(=O)O,0,0.0,
+CC(C)CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCCC1C(N)=O,0,0.0,
+CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1ccccn1,1,100.0,0.0
+CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1cccnc1,0,0.0,
+CC(C)CC(NC(=O)C1CCCCC1)C(=O)N1CCC2(CC1)OCCO2,0,0.0,
+CC(C)CC(NC(=O)C1CCCCC1)C(=O)NCc1ccccn1,0,0.0,
+CC(C)CC(NC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(N)=O,0,0.0,
+CC(C)CC(NC(=O)COc1ccccc1)C(=O)O,0,0.0,
+CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)N1CCCC1C(N)=O)C(C)C,0,0.0,
+CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NC(C)C(N)=O)C(C)C,0,0.0,
+CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1,0,0.0,
+CC(C)CC(NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CC(C)CC(NC(N)=O)C(=O)OCC(=O)NC(=O)NC1CCCC1,0,0.0,
+CC(C)CC(NC=C1C(=O)OC(C)(C)OC1=O)C(=O)O,0,0.0,
+CC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CC=C(c2ccccc2)CC1,0,0.0,
+CC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCCc2ccccc21,0,0.0,
+CC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cccnc1,0,0.0,
+CC(C)CC(OC(=O)c1ccco1)C(=O)NC1CCCCC1,0,0.0,
+CC(C)CC(OC(=O)c1ccco1)C(=O)NCC1CCCO1,0,0.0,
+CC(C)CC(OC(=O)c1cccs1)C(=O)NCC1CCCO1,0,0.0,
+CC(C)CC(OC(=O)c1cccs1)C(=O)NCc1ccco1,0,0.0,
+CC(C)CC(OC(=O)c1cccs1)C(=O)NCc1cccs1,0,0.0,
+CC(C)CC(c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1,1,100.0,0.0
+CC(C)CC(c1nnnn1C(C)C)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+CC(C)CC(c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CC(C)CC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1,0,0.0,
+CC(C)CC(c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1,0,0.0,
+CC(C)CC(c1nnnn1CC1CCCO1)N1CCN(C2CCCC2)CC1,0,0.0,
+CC(C)CC(c1nnnn1CC1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CC(C)CC(c1nnnn1CC1CCCO1)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+CC(C)CC(c1nnnn1CC1CCCO1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+CC(C)CC(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CC(C)CC(c1nnnn1Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CC(C)CC(c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1,0,0.0,
+CC(C)CC(c1nnnn1Cc1ccco1)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+CC(C)CC1(C(=O)O)NC(c2ccccc2O)C2C(=O)N(C(C)C)C(=O)C21,0,0.0,
+CC(C)CC1(C)NC(=O)N(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1=O,0,0.0,
+CC(C)CC1(C)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O,0,0.0,
+CC(C)CC1(C)NC(=O)NC1=O,0,0.0,
+CC(C)CC12CN3CCN(CC(C3)/C1=N/O)C2,0,0.0,
+CC(C)CC12CN3CCN(CC(C3)C1O)C2,1,100.0,
+CC(C)CC1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21,0,0.0,
+CC(C)CC1C(C#N)=C(N)SC(N)=C1C#N,0,0.0,
+CC(C)CC1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O,0,0.0,
+CC(C)CC1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O,0,0.0,
+CC(C)CC1NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O,0,0.0,
+CC(C)CC1NC2(C(=O)N(C)c3ccccc32)C2C(=O)N(C(C)C)C(=O)C12,0,0.0,
+CC(C)CCC(C(=O)O)C(C)CC(=O)NC1CCCCC1,0,0.0,
+CC(C)CCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+CC(C)CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+CC(C)CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccco1,0,0.0,
+CC(C)CCN(C)C1CCN(C(=O)Nc2c(F)cccc2F)CC1,0,0.0,
+CC(C)CCN(C)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CC(C)CCN(C)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,1,100.0,1.0
+CC(C)CCN1C(=O)CCC1(C)C(=O)NC1CCCCCC1,0,0.0,
+CC(C)CCN1C(=O)c2ccc(C(=O)NCC3CCCO3)cc2C1=O,0,0.0,
+CC(C)CCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O,0,0.0,
+CC(C)CCN1C(=O)c2ccc(C(=O)OCn3nnc4ccccc4c3=O)cc2C1=O,0,0.0,
+CC(C)CCN1CC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O,0,0.0,
+CC(C)CCN1CC(C(=O)NC(C)C)CC1=O,0,0.0,
+CC(C)CCN1CC(C(=O)NCCC2=CCCCC2)CC1=O,0,0.0,
+CC(C)CCN1CC(C(=O)NCc2ccc(F)cc2)CC1=O,0,0.0,
+CC(C)CCN1CC(C(=O)NCc2ccccc2)CC1=O,0,0.0,
+CC(C)CCN1CCNC(=O)C1CC(=O)Nc1ccc(F)cc1,0,0.0,
+CC(C)CCNC(=O)C(C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1,0,0.0,
+CC(C)CCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(CN2CCCCC2)o1,1,100.0,0.0
+CC(C)CCNC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2,0,0.0,
+CC(C)CCNC(=O)C(c1ccco1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,0,0.0,
+CC(C)CCNC(=O)C(c1ccco1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CC(C)CCNC(=O)C(c1ccco1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CC(C)CCNC(=O)C(c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,0,0.0,
+CC(C)CCNC(=O)C(c1cccs1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,0,0.0,
+CC(C)CCNC(=O)C1C2C=CC3(CN(Cc4ccccc4Cl)C(=O)C13)O2,0,0.0,
+CC(C)CCNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,0,0.0,
+CC(C)CCNC(=O)C1CCN(C(=O)N(C)C)CC1,0,0.0,
+CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1,0,0.0,
+CC(C)CCNC(=O)C1CCN(c2nc3ccccc3o2)CC1,0,0.0,
+CC(C)CCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12,0,0.0,
+CC(C)CCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O,0,0.0,
+CC(C)CCNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CC(C)CCNC(=O)CCS(=O)(=O)c1cccc2nonc12,0,0.0,
+CC(C)CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1,0,0.0,
+CC(C)CCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CC(C)CCNC(=O)CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1,0,0.0,
+CC(C)CCNC(=O)CN(CC1CCCO1)C(=O)CCC(=O)Nc1nccs1,0,0.0,
+CC(C)CCNC(=O)CN(CCCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1,0,0.0,
+CC(C)CCNC(=O)CN(CCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1,0,0.0,
+CC(C)CCNC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1ccccn1,0,0.0,
+CC(C)CCNC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc(-c2cccs2)n1,0,0.0,
+CC(C)CCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3,0,0.0,
+CC(C)CCNC(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12,0,0.0,
+CC(C)CCNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,1,100.0,1.0
+CC(C)CCNC(=O)Cn1c(NCCC(C)C)nc2c1c(=O)n(C)c(=O)n2C,1,100.0,
+CC(C)CCNC(=O)Cn1cc2c(n1)CCCCC2,0,0.0,
+CC(C)CCNC(=O)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O,0,0.0,
+CC(C)CCNC(=O)NC(=O)COC(=O)C1=COCCO1,0,0.0,
+CC(C)CCNC(=O)NC(=O)COc1ccccc1C#N,0,0.0,
+CC(C)CCNC(=O)NC(=O)COc1ncnc2sccc12,0,0.0,
+CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2Br)o1,0,0.0,
+CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1N,0,0.0,
+CC(C)CCNC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)o1,0,0.0,
+CC(C)CCNC(=O)NC(=O)CSc1nnc2ccccn12,0,0.0,
+CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)O,0,0.0,
+CC(C)CCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12,0,0.0,
+CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S+]2[O-],0,0.0,
+CC(C)CCNC(=O)c1cccc(Cl)c1,0,0.0,
+CC(C)CCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,0,0.0,
+CC(C)CCNc1cc(=O)n(C)c(=O)n1C,0,0.0,
+CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COC(C)C,0,0.0,
+CC(C)CCNc1nc2c(c(=O)n(Cc3cccc(F)c3)c(=O)n2C)n1C,0,0.0,
+CC(C)CCNc1nc2c(cc1C#N)COC(C)(C)C2,0,0.0,
+CC(C)CCNc1ncnc2c1nnn2Cc1ccccc1Cl,0,0.0,
+CC(C)CCOC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2,0,0.0,
+CC(C)CCOC(=O)C1[C@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3,0,0.0,
+CC(C)CCOC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12,0,0.0,
+CC(C)CCOCC(=O)Nc1cccc(C(=O)O)c1,0,0.0,
+CC(C)CCOCC(=O)Oc1ccccc1C(=O)O,0,0.0,
+CC(C)CCOCC1CC2(CC(C)(c3csc(N)n3)OC2=O)C(=O)O1,0,0.0,
+CC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F,0,0.0,
+CC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccn1,0,0.0,
+CC(C)CCOc1ccc(C(=O)CCNC(C)C(=O)O)cc1,0,0.0,
+CC(C)CCOc1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1,0,0.0,
+CC(C)CCOc1ccc(C(=O)O)cc1,0,0.0,
+CC(C)CCOc1ccc(C2(C)NC(=O)N(CN3CCOCC3)C2=O)cc1,0,0.0,
+CC(C)CCOc1ccc(Cl)cc1CN1CCOCC1,0,0.0,
+CC(C)CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1,0,0.0,
+CC(C)CCOc1cccc(OCC(=O)N(C)C2CCS(=O)(=O)C2)c1,0,0.0,
+CC(C)CCOc1cccc(OCC(=O)NC2CCS(=O)(=O)C2)c1,0,0.0,
+CC(C)CCSc1nc(N)c(C#N)cc1C#N,0,0.0,
+CC(C)CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2,0,0.0,
+CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CC(C)CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C,0,0.0,
+CC(C)CCn1c(=O)c2ccccc2n2c(CN(C)Cc3ccccc3)nnc12,0,0.0,
+CC(C)CCn1c(=O)c2ccccc2n2c(CN3C(=O)NC4(CCC(C)CC4)C3=O)nnc12,0,0.0,
+CC(C)CCn1c(=O)c2ccccc2n2c(COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc12,0,0.0,
+CC(C)CCn1c(=S)[nH]c2ncccc2c1=O,0,0.0,
+CC(C)CCn1c(Br)nc2c1c(=O)n(CC(N)=O)c(=O)n2C,0,0.0,
+CC(C)CCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)CCn1c(CN2CC(C)OC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)CCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)CCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)CCn1c(N)c(C(=O)OCC2CCCO2)c2nc3ccccc3nc21,0,0.0,
+CC(C)CCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,0,0.0,
+CC(C)CCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)CCn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)CCn1c(N2CCOCC2)nc2c1c(=O)n(CC(N)=O)c(=O)n2C,0,0.0,
+CC(C)CCn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C,1,100.0,0.0
+CC(C)CCn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)CCn1c(SCC#N)nc2c(sc3ccccc32)c1=O,0,0.0,
+CC(C)CCn1c(SCC(=O)OCn2nnc3ccccc3c2=O)nc2ccccc2c1=O,0,0.0,
+CC(C)CCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)CCn1c(SCC(N)=O)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)CCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)CCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)CCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)CCn1c(Sc2nc3ccccc3s2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)CCn1cnc2c([nH]c3cccc(Cl)c32)c1=O,0,0.0,
+CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2,0,0.0,
+CC(C)CCn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,0,0.0,
+CC(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)CCn1nc(C(=O)OC(C)C(=O)NC(N)=O)c2ccccc2c1=O,0,0.0,
+CC(C)CCn1nnnc1C(c1ccc(Cl)cc1)N1CCN(C)CC1,0,0.0,
+CC(C)CCn1nnnc1C(c1ccc(F)cc1)N1CCC(C(N)=O)CC1,0,0.0,
+CC(C)CCn1nnnc1C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CC(C)CCn1nnnc1C(c1ccc(N(C)C)cc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CC(C)CCn1nnnc1C(c1ccccc1)N1CCC(C(N)=O)CC1,0,0.0,
+CC(C)CCn1nnnc1C(c1ccccc1)N1CCN(C)CC1,0,0.0,
+CC(C)CCn1nnnc1C(c1ccccc1F)N1CCC(C(N)=O)CC1,0,0.0,
+CC(C)CN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+CC(C)CN(C(=O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1CCS(=O)(=O)C1,0,0.0,
+CC(C)CN(C(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O)C1CCS(=O)(=O)C1,0,0.0,
+CC(C)CN(C(=O)COC(=O)CCc1c[nH]c2ccccc12)C1CCS(=O)(=O)C1,0,0.0,
+CC(C)CN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)C1CCS(=O)(=O)C1,0,0.0,
+CC(C)CN(C(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12)C1CCS(=O)(=O)C1,0,0.0,
+CC(C)CN(C(=O)COC(=O)Cn1cnc2ccccc2c1=O)C1CCS(=O)(=O)C1,0,0.0,
+CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CCC2)C1CCS(=O)(=O)C1,0,0.0,
+CC(C)CN(C(=O)COC(=O)c1cc2ccccc2oc1=O)C1CCS(=O)(=O)C1,0,0.0,
+CC(C)CN(C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2)C1CCS(=O)(=O)C1,0,0.0,
+CC(C)CN(C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CCS(=O)(=O)C1,0,0.0,
+CC(C)CN(C(=O)c1ccc(=O)n(C)n1)c1nc2ccccc2s1,0,0.0,
+CC(C)CN(CC(C)C)C(=O)C12CCC(C)(C(=O)C1)C2(C)C,0,0.0,
+CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)Cc1ccccc1,0,0.0,
+CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1,0,0.0,
+CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1,0,0.0,
+CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1,0,0.0,
+CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1,0,0.0,
+CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1,0,0.0,
+CC(C)CN(CC(C)C)c1nc(N)c(C#N)c(CC#N)c1C#N,0,0.0,
+CC(C)CN(CC(C)C)c1nnc(N)s1,0,0.0,
+CC(C)CN(CCCNC(=O)CC1Oc2ccccc2NC1=O)CC(C)C,0,0.0,
+CC(C)CN(CCNC(=O)CC1Oc2ccccc2NC1=O)CC(C)C,0,0.0,
+CC(C)CN1C(=O)NC(NC(=O)c2cccnc2)(C(F)(F)F)C1=O,0,0.0,
+CC(C)CN1C(=O)NC(NC(=O)c2ccco2)(C(F)(F)F)C1=O,0,0.0,
+CC(C)CN1C(=O)NC(NC(=O)c2cccs2)(C(F)(F)F)C1=O,0,0.0,
+CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccccn3)cc2C1=O,0,0.0,
+CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccncc3)cc2C1=O,0,0.0,
+CC(C)CN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O,0,0.0,
+CC(C)CN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,0,0.0,
+CC(C)CNC(=O)C1C2C=CC(C2)C1C(=O)O,0,0.0,
+CC(C)CNC(=O)C1CC(=O)OC12CCCCC2,1,100.0,
+CC(C)CNC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1,0,0.0,
+CC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,0,0.0,
+CC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1,0,0.0,
+CC(C)CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1,0,0.0,
+CC(C)CNC(=O)CN(C1CCCCC1)S(C)(=O)=O,0,0.0,
+CC(C)CNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1,0,0.0,
+CC(C)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3,0,0.0,
+CC(C)CNC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccccc1,0,0.0,
+CC(C)CNC(=O)CSc1nnc(CN2CCCCCC2=O)n1-c1ccccn1,0,0.0,
+CC(C)CNC(=O)NC1C(NC(=O)NCC(C)C)N(C)C(=O)N1C,0,0.0,
+CC(C)CNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12,0,0.0,
+CC(C)CNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12,0,0.0,
+CC(C)CNC(=O)c1cc(-c2ccc(Br)cc2)on1,0,0.0,
+CC(C)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,0,0.0,
+CC(C)CNC(=O)c1cc(-c2ccco2)on1,0,0.0,
+CC(C)CNC(=O)c1cccc(C(=O)NCC(C)C)c1,0,0.0,
+CC(C)CNC(=O)c1cccc(Cn2cc(Cl)cn2)c1,0,0.0,
+CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1,1,100.0,
+CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O,0,0.0,
+CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1,0,0.0,
+CC(C)CNC(=O)c1noc2c1CCCC2,0,0.0,
+CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1,0,0.0,
+CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1,0,0.0,
+CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1,0,0.0,
+CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+CC(C)CNS(=O)(=O)c1ccc(CCC(=O)O)cc1,0,0.0,
+CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1,0,0.0,
+CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,0,0.0,
+CC(C)CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1,0,0.0,
+CC(C)CNc1cc(=O)n(C)c(=O)n1C,0,0.0,
+CC(C)CNc1cc(Cl)c(S(=O)(=O)NCC(C)C)cc1C(=O)O,0,0.0,
+CC(C)CNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1,0,0.0,
+CC(C)CNc1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1,0,0.0,
+CC(C)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1,0,0.0,
+CC(C)CNc1oc(-c2ccc(F)cc2)nc1C#N,0,0.0,
+CC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,1,100.0,0.0
+CC(C)COC(=O)C(N)C(C(=O)OCC(C)C)c1ccccc1,0,0.0,
+CC(C)COC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC(C)C)C1c1cccnc1,0,0.0,
+CC(C)COC(=O)C1C2C=CC3(CN(C(C)c4ccc(Br)cc4)C(=O)C13)O2,0,0.0,
+CC(C)COC(=O)C1C2C=CC3(CN(C4CCCC4)C(=O)C13)O2,0,0.0,
+CC(C)COC(=O)C1[C@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3,0,0.0,
+CC(C)COC(=O)CCNc1n[nH]c(=O)[nH]c1=O,0,0.0,
+CC(C)COC(=O)CCn1[nH]c(=O)c2ccccc2c1=O,0,0.0,
+CC(C)COC(=O)Cc1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CC(C)COC(=O)Cn1cnc2ccc(Br)cc2c1=O,0,0.0,
+CC(C)COC(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0.0,
+CC(C)COC(=O)N1CC(O)CC1C(=O)O,0,0.0,
+CC(C)COC(=O)N1CCCC1C(=O)Nc1nccs1,0,0.0,
+CC(C)COC(=O)NCC12C=CC(O1)C1C(=O)N(c3ccc(Cl)cc3)C(=O)C12,0,0.0,
+CC(C)COC(=O)NCCCOC(=O)Nc1ccccc1,0,0.0,
+CC(C)COC(=O)NCCOC(=O)Nc1cccc(Cl)c1,1,100.0,
+CC(C)COC(=O)Nc1ccccc1C(=O)N1CCOCC1,0,0.0,
+CC(C)COC(=O)Nc1nnc(COc2ccccc2)s1,0,0.0,
+CC(C)COC(=O)c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Cl,0,0.0,
+CC(C)COC(=O)c1cc(=O)[nH]c2ccccc12,0,0.0,
+CC(C)COC(=O)c1ccc(NC(=O)C2C3C=CC(C3)C2C(=O)O)cc1,0,0.0,
+CC(C)COC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1,0,0.0,
+CC(C)COC(=O)c1nnsc1NC(=O)Nc1ccccc1,0,0.0,
+CC(C)COC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+CC(C)COC(=O)n1c(SCC(=O)N(C)C)nc2ccccc21,0,0.0,
+CC(C)COC(=O)n1ccc(C(=O)N2CCCCC2)n1,0,0.0,
+CC(C)COCC1CC2(CC(C)(c3csc(N)n3)OC2=O)C(=O)O1,0,0.0,
+CC(C)COCC1CC2(CC(C)C(=O)CC2=O)C(=O)O1,0,0.0,
+CC(C)COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F,0,0.0,
+CC(C)COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccn1,0,0.0,
+CC(C)COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccncc1,0,0.0,
+CC(C)COc1cc(=O)[nH]c(SCC(C)C)n1,0,0.0,
+CC(C)COc1ccc(-c2nnc(-c3ccncc3)o2)cc1,0,0.0,
+CC(C)COc1ccc(-c2nnn(CC(=O)N3CCCC3)n2)cc1,0,0.0,
+CC(C)COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccncc2)cc1,0,0.0,
+CC(C)COc1ccc(C(=O)CCN2CCCCC2)cc1,1,100.0,1.0
+CC(C)COc1ccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CC(C)COc1ccc(C(=O)NC(CC(C)C)C(=O)O)cc1,0,0.0,
+CC(C)COc1ccc(C(=O)NCc2ccco2)cc1,0,0.0,
+CC(C)COc1ccc(C(=O)OC2CC(C)(C)OCC2CN(C)C)cc1,0,0.0,
+CC(C)COc1ccc(C(=O)OCCN2CCOCC2)c(O)c1,0,0.0,
+CC(C)COc1ccc(C(=O)OCCN2CCOCC2)cc1,0,0.0,
+CC(C)COc1ccc(C2NC(=O)NC2=O)cc1,0,0.0,
+CC(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1,0,0.0,
+CC(C)COc1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1,0,0.0,
+CC(C)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2,0,0.0,
+CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1cccc2ccccc12,0,0.0,
+CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CC(C)CSc1nc2ccccc2n1CC(N)=O,0,0.0,
+CC(C)CSc1nnc2[nH]c(=O)cc(N)n12,0,0.0,
+CC(C)C[C@@H]1NC(=O)N(CCN2CCOCC2)C1=O,0,0.0,
+CC(C)C[C@H](N)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1,0,0.0,
+CC(C)C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)O,0,0.0,
+CC(C)C[C@H](NC(=O)NC(C)C)C(=O)O,0,0.0,
+CC(C)C[C@H](NC(=O)NCCc1ccc(Cl)cc1)C(=O)O,0,0.0,
+CC(C)C[C@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)O,0,0.0,
+CC(C)C[C@H](NC(=O)NCc1ccccc1Cl)C(=O)O,0,0.0,
+CC(C)C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O,0,0.0,
+CC(C)C[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)O,0,0.0,
+CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1,0,0.0,
+CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1,1,100.0,0.0
+CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1,0,0.0,
+CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O,0,0.0,
+CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)NCCCCN=C(N)N,0,0.0,
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12,0,0.0,
+CC(C)Cc1[nH]c(=O)c(C#N)c2c1CCC2,0,0.0,
+CC(C)Cc1[nH]c(=O)c(C#N)c2c1CCCC2,0,0.0,
+CC(C)Cc1[nH]c(=O)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CC(C)Cc1c(O)nc(SCCN2CCOCC2)[nH]c1=O,0,0.0,
+CC(C)Cc1cc(-c2ccco2)c(C#N)c(N)n1,0,0.0,
+CC(C)Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)no1,0,0.0,
+CC(C)Cc1cc(C(=O)NCCCN2CCOCC2)no1,0,0.0,
+CC(C)Cc1cc(C(=O)NCCN2CCOCC2)no1,0,0.0,
+CC(C)Cc1cc(C(=O)NCCc2ccccc2)no1,0,0.0,
+CC(C)Cc1cc(C(=O)NCc2ccco2)no1,0,0.0,
+CC(C)Cc1cc(C(=O)NCc2cccs2)no1,0,0.0,
+CC(C)Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1,0,0.0,
+CC(C)Cc1cc(C(=O)Nc2cc(Br)ccc2O)no1,0,0.0,
+CC(C)Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)no1,0,0.0,
+CC(C)Cc1cc(C(=O)Nc2ccc(F)cc2F)no1,0,0.0,
+CC(C)Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)no1,0,0.0,
+CC(C)Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)no1,0,0.0,
+CC(C)Cc1cc(C(=O)O)n[nH]1,0,0.0,
+CC(C)Cc1ccc(/C(=N/O)C(=O)O)s1,0,0.0,
+CC(C)Cc1ccc(C#N)c(SCC(N)=O)n1,0,0.0,
+CC(C)Cc1ccc(C(C)C(=O)N2CCOCC2)cc1,0,0.0,
+CC(C)Cc1ccc(C(C)C(=O)O)cc1,0,0.0,
+CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+CC(C)Cc1n[nH]c(=O)[nH]1,0,0.0,
+CC(C)Cc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1,0,0.0,
+CC(C)Cc1nc(N2CCC(C(N)=O)CC2)c2nnn(Cc3ccccc3)c2n1,0,0.0,
+CC(C)Cc1nc(N2CCCCC2)c(C#N)c2c1CCC2,0,0.0,
+CC(C)Cc1nc(N2CCN(C(=O)C(C)C)CC2)c(C#N)c2c1CCC2,0,0.0,
+CC(C)Cc1nc(N2CCN(C(=O)Cc3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CC(C)Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1CCC2,0,0.0,
+CC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1CCC2,0,0.0,
+CC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CC(C)Cc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CC(C)Cc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCOCC2)o1,0,0.0,
+CC(C)Cc1nc(SCC(=O)NCc2ccccc2)n[nH]1,0,0.0,
+CC(C)Cc1nc2n[nH]c(N)c2c2c1CCC2,0,0.0,
+CC(C)Cc1nc2oc3c(=O)[nH]cnc3c2c2c1CCC2,0,0.0,
+CC(C)Cc1nc2oc3c(N4CCN(C)CC4)ncnc3c2c2c1CCCC2,0,0.0,
+CC(C)Cc1nc2oc3c(N4CCN(CCO)CC4)ncnc3c2c2c1CCCC2,0,0.0,
+CC(C)Cc1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1CCC2,0,0.0,
+CC(C)Cc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC2,0,0.0,
+CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCOCC2)s1,0,0.0,
+CC(C)Cc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1,0,0.0,
+CC(C)Cc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)s1,0,0.0,
+CC(C)Cc1nnc(NC(=O)c2ccncc2)s1,0,0.0,
+CC(C)Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1,0,0.0,
+CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCOCC1,0,0.0,
+CC(C)Cn1c(-c2ccc(F)cc2)n[nH]c1=S,0,0.0,
+CC(C)Cn1c(-c2ccccc2F)n[nH]c1=S,0,0.0,
+CC(C)Cn1c(-c2cccs2)nc2nc3ccccc3nc21,0,0.0,
+CC(C)Cn1c(=O)c(C(=O)NCc2ccccn2)c(O)c2ccccc21,0,0.0,
+CC(C)Cn1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21,0,0.0,
+CC(C)Cn1c(=O)c(C(=O)Nc2ccncc2)c(O)c2ccccc21,0,0.0,
+CC(C)Cn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21,0,0.0,
+CC(C)Cn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21,0,0.0,
+CC(C)Cn1c(=O)c2c(c3ccccc31)OC(C)C(=O)N2,0,0.0,
+CC(C)Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O,0,0.0,
+CC(C)Cn1c(=O)c2ccccc2c2ccccc2c1=O,0,0.0,
+CC(C)Cn1c(Br)nc2c1c(=O)n(CCC#N)c(=O)n2C,0,0.0,
+CC(C)Cn1c(CCC(=O)O)ccc1-c1cccs1,0,0.0,
+CC(C)Cn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)Cn1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O,0,0.0,
+CC(C)Cn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)Cn1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)Cn1c(CNC(=O)c2ccccc2)nc2ccccc21,0,0.0,
+CC(C)Cn1c(N)c(C(=O)COC(=O)C2=COCCO2)c(=O)n(C)c1=O,0,0.0,
+CC(C)Cn1c(N)c(C(=O)COC(=O)C2CCCCC2)c(=O)n(C)c1=O,0,0.0,
+CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(=O)n(C)c1=O,0,0.0,
+CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc3c(c2)OCCO3)c(=O)n(C)c1=O,0,0.0,
+CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc3ccccc3n2)c(=O)n(C)c1=O,0,0.0,
+CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccncc2)c(=O)n(C)c1=O,0,0.0,
+CC(C)Cn1c(N)c(C(=O)CSc2ccc3c(c2)OCCO3)c(=O)n(C)c1=O,0,0.0,
+CC(C)Cn1c(N)c(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(=O)n(C)c1=O,0,0.0,
+CC(C)Cn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21,0,0.0,
+CC(C)Cn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21,0,0.0,
+CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21,0,0.0,
+CC(C)Cn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,0,0.0,
+CC(C)Cn1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21,0,0.0,
+CC(C)Cn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)Cn1c(SC(C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O,0,0.0,
+CC(C)Cn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccc21,1,100.0,1.0
+CC(C)Cn1c(SCC(=O)NC(=O)NC2CCCC2)nc2ccccc21,0,0.0,
+CC(C)Cn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O,0,0.0,
+CC(C)Cn1c(SCC(=O)NC2CCCc3ccccc32)nc(O)cc1=O,0,0.0,
+CC(C)Cn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccco1,0,0.0,
+CC(C)Cn1c(SCc2nnc(-c3cccs3)o2)nc(O)cc1=O,0,0.0,
+CC(C)Cn1c2c(c(O)c(C(=O)Nc3ccc(F)cc3)c1=O)CCCC2,0,0.0,
+CC(C)Cn1c2c(c(O)c(C(=O)Nc3ncccc3O)c1=O)CCCC2,0,0.0,
+CC(C)Cn1c2c(c(O)c(C(=O)Nc3nccs3)c1=O)CCCC2,0,0.0,
+CC(C)Cn1c2nc3ccccc3nc2c2c(=O)n(CCN3CCOCC3)cnc21,0,0.0,
+CC(C)Cn1cc(C(=O)N2CCC3(CC2)OCCO3)c2c3ccccc3n(C)c2c1=O,0,0.0,
+CC(C)Cn1cc(C(=O)N2CCN(c3ccccn3)CC2)c2c3ccccc3n(C)c2c1=O,0,0.0,
+CC(C)Cn1cc(C(=O)N2CCOCC2)c2c3ccccc3n(C)c2c1=O,0,0.0,
+CC(C)Cn1cc(C(=O)NCC2CCCO2)c2c3ccccc3n(C)c2c1=O,1,100.0,0.0
+CC(C)Cn1cc(C(=O)NCCCN2CCCC2=O)c2c3ccccc3n(C)c2c1=O,0,0.0,
+CC(C)Cn1cc(C(=O)NCc2cccs2)c2c3ccccc3n(C)c2c1=O,0,0.0,
+CC(C)Cn1cnc2c(N)nc3ccccc3c21,0,0.0,
+CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2,0,0.0,
+CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCO3)c(=O)n2Cc1ccccc1,0,0.0,
+CC(C)Cn1nc(NC(=O)C(C)(C)C)c2cc3ccccc3nc21,0,0.0,
+CC(C)Cn1nc(NC(=O)C2CCCO2)c2cc3ccccc3nc21,0,0.0,
+CC(C)N(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+CC(C)N(C(=O)C1CC(=O)OC12CCCCC2)C(C)C,0,0.0,
+CC(C)N(C(=O)CN(C#N)c1nc(N(C)C)nc(N(C)C)n1)c1ccccc1,0,0.0,
+CC(C)N(C(=O)COC(=O)c1ccc(O)cc1)C(C)C,0,0.0,
+CC(C)N(C(=O)COC(=O)c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)C,0,0.0,
+CC(C)N(C(=O)COc1ccc(Br)cc1Cl)C(C)C,0,0.0,
+CC(C)N(C(=O)CSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C)c1ccccc1,0,0.0,
+CC(C)N(C(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1)c1ccccc1,0,0.0,
+CC(C)N(C(=O)CSc1nnc(-c2cc3ccccc3cc2O)n1Cc1ccco1)C(C)C,0,0.0,
+CC(C)N(C(=O)CSc1nnc(CN2CCCCCC2=O)n1-c1ccccn1)C(C)C,0,0.0,
+CC(C)N(C(=O)CSc1nnc(NC(=O)C2CCC2)s1)C(C)C,0,0.0,
+CC(C)N(C(=O)CSc1nnnn1C1CCCC1)C(C)C,0,0.0,
+CC(C)N(C(=O)Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc21)C(C)C,0,0.0,
+CC(C)N(C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)C(C)C,0,0.0,
+CC(C)N(C(=O)N1CCC(c2nc(-c3ccncc3)no2)CC1)C(C)C,0,0.0,
+CC(C)N(C(=O)NC(=O)NCC1CCCO1)S(C)(=O)=O,0,0.0,
+CC(C)N(C(=O)Nc1ccc2nccnc2c1)C(C)C,0,0.0,
+CC(C)N(C(C)C)S(=NS(=O)(=O)c1ccccc1)N(C(C)C)C(C)C,0,0.0,
+CC(C)N(C)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+CC(C)N(C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,0,0.0,
+CC(C)N(C=O)C1(C(=O)NC2CCCCC2)CCCCC1,0,0.0,
+CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C,0,0.0,
+CC(C)N(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1,1,100.0,0.0
+CC(C)N(CCCNC(=O)CC1Oc2ccccc2NC1=O)Cc1ccccc1,0,0.0,
+CC(C)N(CCNC(=O)C1CCC(=O)N1Cc1ccc(F)cc1)Cc1ccccc1,0,0.0,
+CC(C)N(CCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1,0,0.0,
+CC(C)N(CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O)Cc1ccccc1,0,0.0,
+CC(C)N(CCO)C(=O)C(c1ccccc1)c1ccccc1,0,0.0,
+CC(C)N(CCc1ccncc1)C(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+CC(C)N(CCc1ccncc1)C(=O)Nc1ccc(F)cc1,0,0.0,
+CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)(C)C,0,0.0,
+CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1,0,0.0,
+CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1,0,0.0,
+CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CC(C)N(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+CC(C)N(Cc1ccccc1)S(=O)(=O)N(C)C,0,0.0,
+CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCC1CCCC1,0,0.0,
+CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccs1,0,0.0,
+CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C(C)(C)C,0,0.0,
+CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1,0,0.0,
+CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccccc1,0,0.0,
+CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CSc1ccccc1,0,0.0,
+CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccccc1,0,0.0,
+CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Br)o1,0,0.0,
+CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1,0,0.0,
+CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)OCO2,0,0.0,
+CC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1,0,0.0,
+CC(C)N(Cc1nc2ccccc2[nH]1)C(C)C,0,0.0,
+CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(C#N)c1,0,0.0,
+CC(C)N(O)C(=O)NC(C)(C)C,0,0.0,
+CC(C)N(c1ccccc1)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+CC(C)N1C(=O)C2C(C(=O)NC3CCCCC3)C3C=CC2(O3)C1C(=O)NC1CCCC1,0,0.0,
+CC(C)N1C(=O)C2C(C(=O)NC3CCCCC3)C3C=CC2(O3)C1C(=O)NC1CCCCC1,0,0.0,
+CC(C)N1C(=O)C2C(C(=O)NCc3ccccc3)C3C=CC2(O3)C1C(=O)NC(C)(C)C,0,0.0,
+CC(C)N1C(=O)C2C(c3ccccc3O)NC(C)(C(=O)O)C2C1=O,0,0.0,
+CC(C)N1C(=O)C2ON(c3ccccc3)C(c3cccs3)C2C1=O,1,100.0,0.0
+CC(C)N1C(=O)CCC1C(=O)N1CCC(Cc2ccccc2)CC1,0,0.0,
+CC(C)N1C(=O)CCC1C(=O)N1CCCc2ccccc21,0,0.0,
+CC(C)N1C(=O)CCC1C(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+CC(C)N1C(=O)CCC1C(=O)NC1CCCC1,0,0.0,
+CC(C)N1C(=O)CCC1C(=O)NCCc1ccc(Cl)cc1,0,0.0,
+CC(C)N1C(=O)CCC1C(=O)NCCc1ccccc1,0,0.0,
+CC(C)N1C(=O)CCC1C(=O)NCc1ccccc1Cl,0,0.0,
+CC(C)N1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccccc1F,0,0.0,
+CC(C)N1C(=O)c2ccc(C(=O)O)cc2C1=O,0,0.0,
+CC(C)N1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1,0,0.0,
+CC(C)N1C(=S)SC(C)(C)C1NO,0,0.0,
+CC(C)N1C(=S)SC2CS(=O)(=O)C=C21,0,0.0,
+CC(C)N1CC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O,0,0.0,
+CC(C)N1CC(C(=O)Nc2nc3ccccc3s2)CC1=O,0,0.0,
+CC(C)N1CC(O)=C(c2ccccc2)C1=N,0,0.0,
+CC(C)N1CC(O)=C(c2nc3ccccc3[nH]2)C1=N,0,0.0,
+CC(C)N1CC23C=CC(O2)C(C(=O)OCc2ccccc2)C3C1=O,0,0.0,
+CC(C)N1CC2=C(OC(N)=C(C#N)C2c2cccnc2)/C(=C/c2cccnc2)C1,0,0.0,
+CC(C)N1CC=C(c2c[nH]c3ccccc23)CC1,0,0.0,
+CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccccc3)C2C1,0,0.0,
+CC(C)N1CCC2(CC1)NC(CO)(CO)CO2,0,0.0,
+CC(C)N1CCc2c(sc(N)c2C#N)C1,0,0.0,
+CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C#N)C1,0,0.0,
+CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(N)=O)C1,0,0.0,
+CC(C)N1C[C@@]23C=C[C@@H](O2)C(C(=O)OCc2ccccc2)[C@H]3C1=O,0,0.0,
+CC(C)N=C(NC#N)SCC(=O)NC(C)(C)C,0,0.0,
+CC(C)N=C(NC#N)SCc1ccc(F)cc1,0,0.0,
+CC(C)N=C(NC#N)SCc1ccccc1F,0,0.0,
+CC(C)N=C1SCC(C)(/C=N/O)S1,0,0.0,
+CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,0,0.0,
+CC(C)NC(=O)C(C)n1cccc1C(=O)c1ccccc1,0,0.0,
+CC(C)NC(=O)C1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1,0,0.0,
+CC(C)NC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,0,0.0,
+CC(C)NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1,0,0.0,
+CC(C)NC(=O)C1CCCN(S(C)(=O)=O)C1,0,0.0,
+CC(C)NC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1,0,0.0,
+CC(C)NC(=O)C1CCN(C(=O)C(C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1,0,0.0,
+CC(C)NC(=O)C1CCN(C(=O)N(C)C)CC1,0,0.0,
+CC(C)NC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1,0,0.0,
+CC(C)NC(=O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1,0,0.0,
+CC(C)NC(=O)CCCc1cn(C)c2ccccc12,0,0.0,
+CC(C)NC(=O)CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,0,0.0,
+CC(C)NC(=O)CCNC(=O)c1ccc(F)cc1,0,0.0,
+CC(C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1,0,0.0,
+CC(C)NC(=O)CCS(=O)(=O)c1ccc(Br)s1,0,0.0,
+CC(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)c(Cl)c1,0,0.0,
+CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CC(C)NC(=O)CN(CCc1ccccc1)S(C)(=O)=O,0,0.0,
+CC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1,0,0.0,
+CC(C)NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O,0,0.0,
+CC(C)NC(=O)CN1CCC(O)(c2ccccc2)CC1,0,0.0,
+CC(C)NC(=O)CN1CCN(c2ncccn2)CC1,0,0.0,
+CC(C)NC(=O)COC(=O)c1ccc(O)cc1,0,0.0,
+CC(C)NC(=O)CSCc1ccccc1Cl,0,0.0,
+CC(C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C,0,0.0,
+CC(C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1,1,100.0,
+CC(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCc2ccccc21,0,0.0,
+CC(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C,0,0.0,
+CC(C)NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CC1CCCO1,0,0.0,
+CC(C)NC(=O)CSc1nnc2sc3ccccc3n12,0,0.0,
+CC(C)NC(=O)CSc1nncn1-c1ccccc1,0,0.0,
+CC(C)NC(=O)Cn1c(SCC(=O)N2CCCCCC2)nc2ccccc21,0,0.0,
+CC(C)NC(=O)Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc21,0,0.0,
+CC(C)NC(=O)Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc21,0,0.0,
+CC(C)NC(=O)Cn1c(SCC(=O)N2c3ccccc3CC2C)nc2ccccc21,0,0.0,
+CC(C)NC(=O)Cn1cc(C#N)c2cc(Br)ccc21,0,0.0,
+CC(C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1,0,0.0,
+CC(C)NC(=O)Cn1nnc(-c2cccc(NC(=O)c3ccccc3F)c2)n1,1,100.0,0.0
+CC(C)NC(=O)N(O)C1N(Cc2ccc3c(c2)OCO3)C(=S)SC1(C)C,0,0.0,
+CC(C)NC(=O)N1CCOCCOCCN(C(=O)NC(C)C)CCOCCOCC1,0,0.0,
+CC(C)NC(=O)NC(=O)COC(=O)Cc1ccsc1,0,0.0,
+CC(C)NC(=O)NC(=O)COc1cccc2c1OC(C)(C)C2,0,0.0,
+CC(C)NC(=O)NC(=O)COc1ncnc2sccc12,0,0.0,
+CC(C)NC(=O)NC(=O)CSc1ncc(C(F)(F)F)cc1Cl,0,0.0,
+CC(C)NC(=O)NC1C2CC3CC(C2)CC1C3,0,0.0,
+CC(C)NC(=O)Nc1cccs1,0,0.0,
+CC(C)NC(=O)c1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CC(C)NC(=O)c1cc(-c2ccc(Br)cc2)on1,0,0.0,
+CC(C)NC(=O)c1cc(-c2ccco2)on1,0,0.0,
+CC(C)NC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)coc1=N,0,0.0,
+CC(C)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,0,0.0,
+CC(C)NC(=O)c1cc2cc(Br)ccc2oc1=O,0,0.0,
+CC(C)NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1,0,0.0,
+CC(C)NC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,0,0.0,
+CC(C)NC(=O)c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1,0,0.0,
+CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)C(C)(C)O2,0,0.0,
+CC(C)NC(=O)c1ccc2c(c1)nnn2C,0,0.0,
+CC(C)NC(=O)c1cccc(Cn2cc(Cl)cn2)c1,0,0.0,
+CC(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1,0,0.0,
+CC(C)NC(=O)c1ccccc1NC(=O)CCS(=O)(=O)Cc1ccccc1,0,0.0,
+CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O,0,0.0,
+CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,0,0.0,
+CC(C)NC(=O)c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12,0,0.0,
+CC(C)NC(=O)c1n[nH]c(=O)c2ccccc12,0,0.0,
+CC(C)NC(=O)c1nc2ccccc2s1,0,0.0,
+CC(C)NCC(O)COCc1ccc(Cl)cc1,0,0.0,
+CC(C)NCC(O)COc1c(F)cc(Br)cc1F,0,0.0,
+CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,0,0.0,
+CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,0,0.0,
+CC(C)NCC(O)COc1cccc2[nH]ccc12,0,0.0,
+CC(C)NCC(O)Cn1c2c(c3ccccc31)CCc1c-2cnn1-c1ccccc1,0,0.0,
+CC(C)NCc1c(O)c(Br)cc2oc3c(c12)CCCC3,0,0.0,
+CC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1Cl,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(CCC(=O)O)cc1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc(OCC(N)=O)c(Cl)c1,0,0.0,
+CC(C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+CC(C)NS(=O)(=O)c1cccc2nsnc12,0,0.0,
+CC(C)Nc1c(N)c(=O)oc2ccccc12,0,0.0,
+CC(C)Nc1nc(-c2ccccc2)nc(-n2ccnc2)n1,0,0.0,
+CC(C)Nc1nc(C#N)nc(NC(C)C)n1,0,0.0,
+CC(C)Nc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1,0,0.0,
+CC(C)Nc1nc(NC(C)C)nc(C(N)=O)n1,0,0.0,
+CC(C)Nc1nc(NC(C)C)nc(N(C)C#N)n1,0,0.0,
+CC(C)Nc1nc(NC(C)C)nc(N(C)C(N)=O)n1,0,0.0,
+CC(C)Nc1nc(NC(C)C)nc(N(C)n2cnnc2)n1,0,0.0,
+CC(C)Nc1nc(NC(C)C)nc(Oc2ccc(/C=N/O)cc2)n1,0,0.0,
+CC(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1,0,0.0,
+CC(C)Nc1nc2n(c(=O)n1)CCN2C(C)C,0,0.0,
+CC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1,0,0.0,
+CC(C)Nc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+CC(C)Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1,0,0.0,
+CC(C)Nc1oc(-c2cccc3ccccc23)nc1C#N,0,0.0,
+CC(C)Nc1oc(Cc2cccc3ccccc23)nc1C#N,0,0.0,
+CC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,0,0.0,
+CC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,0,0.0,
+CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,0,0.0,
+CC(C)OC(=O)C(CC(=O)O)NCc1ccccc1,0,0.0,
+CC(C)OC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1,0,0.0,
+CC(C)OC(=O)C1C(=O)CC(C)(O)C(C(=O)OC(C)C)C1c1cccc(O)c1,0,0.0,
+CC(C)OC(=O)C1C(=O)CC(C)(O)C(C(=O)OC(C)C)C1c1cccnc1,0,0.0,
+CC(C)OC(=O)C1C(=O)NC2(C)CC1c1ccccc1O2,0,0.0,
+CC(C)OC(=O)C1C2C=CC3(CN(C(C)c4ccc(Br)cc4)C(=O)C13)O2,0,0.0,
+CC(C)OC(=O)C1C2C=CC3(CN(CC4CCCO4)C(=O)C13)O2,0,0.0,
+CC(C)OC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2,0,0.0,
+CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCC2,0,0.0,
+CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCC2,0,0.0,
+CC(C)OC(=O)CC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3,0,0.0,
+CC(C)OC(=O)CC12CN3CC(CC(=O)OC(C)C)(CN(C1)C(=O)c1ccccc1C3=O)C2=O,0,0.0,
+CC(C)OC(=O)CC1=NC(=O)CS1,0,0.0,
+CC(C)OC(=O)CCC(=O)Nc1nc2ccccc2s1,0,0.0,
+CC(C)OC(=O)CCC1(C(=O)O)CCC(=O)NC1,0,0.0,
+CC(C)OC(=O)CCCCCN1C(=O)CSC1=S,0,0.0,
+CC(C)OC(=O)CCCN1C(=O)c2ccc(N)cc2C1=O,0,0.0,
+CC(C)OC(=O)CCNc1n[nH]c(=O)[nH]c1=O,0,0.0,
+CC(C)OC(=O)CCc1nc2ccccc2[nH]c1=O,0,0.0,
+CC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)(C)C)cc21,0,0.0,
+CC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CC3)cc21,0,0.0,
+CC(C)OC(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)OC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1,0,0.0,
+CC(C)OC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1,0,0.0,
+CC(C)OC(=O)CSc1n[nH]c(-c2cccnc2)n1,0,0.0,
+CC(C)OC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,0,0.0,
+CC(C)OC(=O)CSc1nc2ccccc2s1,0,0.0,
+CC(C)OC(=O)CSc1nc2cccnc2n1C1CCCCC1,0,0.0,
+CC(C)OC(=O)CSc1nc2ncc(Cl)cc2[nH]1,0,0.0,
+CC(C)OC(=O)CSc1nc2ncccc2[nH]1,0,0.0,
+CC(C)OC(=O)CSc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+CC(C)OC(=O)CSc1ncnc2c1cnn2Cc1ccccc1,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1,1,100.0,0.0
+CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1CC1CCCO1,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2ccccn2)n1C,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1N,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2ccco2)n1N,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2ccncc2)n1N,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2cnccn2)n1C,0,0.0,
+CC(C)OC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1,0,0.0,
+CC(C)OC(=O)CSc1nnc(CNc2nc(-c3ccccc3)cs2)n1C,0,0.0,
+CC(C)OC(=O)CSc1nnc(Cc2ccccc2)n1C,0,0.0,
+CC(C)OC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1,0,0.0,
+CC(C)OC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2,0,0.0,
+CC(C)OC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2,0,0.0,
+CC(C)OC(=O)Cn1c(=O)oc2ccccc21,0,0.0,
+CC(C)OC(=O)Cn1c(=O)sc2ccccc21,0,0.0,
+CC(C)OC(=O)Cn1cnc2ccc(Br)cc2c1=O,0,0.0,
+CC(C)OC(=O)NCCOC(=O)Nc1cccc(Cl)c1,0,0.0,
+CC(C)OC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1,0,0.0,
+CC(C)OC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@](C#N)(C(N)=O)[C@@H]2C=CC(C(N)=O)=CN21,0,0.0,
+CC(C)OC(=O)c1c(F)c(F)c(N2CCOCC2)c(F)c1F,0,0.0,
+CC(C)OC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12,0,0.0,
+CC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,0,0.0,
+CC(C)OC(=O)c1c(N)sc2c1CCCC2,0,0.0,
+CC(C)OC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2,0,0.0,
+CC(C)OC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12,0,0.0,
+CC(C)OC(=O)c1cc(=O)[nH]c2ccccc12,0,0.0,
+CC(C)OC(=O)c1cc(NC(=O)C2C3CCC(O3)C2C(=O)O)cc(C(=O)OC(C)C)c1,0,0.0,
+CC(C)OC(=O)c1cc2ccccc2oc1=O,0,0.0,
+CC(C)OC(=O)c1ccc(N2C(=O)C3CC=CCC3C2=O)cc1,0,0.0,
+CC(C)OC(=O)c1ccc(NC(=O)C2C3CC4OC(=O)C2C4C3)cc1,0,0.0,
+CC(C)OC(=O)c1ccc(OC(=O)c2cccnc2)cc1,0,0.0,
+CC(C)OC(=O)c1cccc(C(=O)O)n1,0,0.0,
+CC(C)OC(=O)c1cccc(C(=O)OCc2ccco2)n1,0,0.0,
+CC(C)OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1,0,0.0,
+CC(C)OC(=O)c1cn(-c2ccccc2)nc1-c1ccco1,0,0.0,
+CC(C)OC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br,0,0.0,
+CC(C)OC(=O)c1nnc(Cc2ccc(Cl)cc2)o1,0,0.0,
+CC(C)OC(=O)c1nnc(Cc2ccc(F)cc2)o1,0,0.0,
+CC(C)OC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1,0,0.0,
+CC(C)OC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2C1,0,0.0,
+CC(C)OC(=O)c1nnn(-c2nonc2N)c1CSc1ccccn1,0,0.0,
+CC(C)OC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3,0,0.0,
+CC(C)OC12Oc3ccccc3C=C1N1CCC2CC1,0,0.0,
+CC(C)OCC(O)CN,0,0.0,
+CC(C)OCC(O)CN1CCN(CC(O)COc2ccc3c(c2)OCO3)CC1,0,0.0,
+CC(C)OCC(O)CSc1ccccn1,0,0.0,
+CC(C)OCC(O)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)OCCCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1,0,0.0,
+CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1cccc(Cl)c1,0,0.0,
+CC(C)OCCCN1C(=O)c2ccccc2C1C(=O)NC1CCCCC1,0,0.0,
+CC(C)OCCCN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21,0,0.0,
+CC(C)OCCCNC(=O)C1CC(=O)N(C2CCCCCCC2)C1,0,0.0,
+CC(C)OCCCNC(=O)C1CCC(=O)N1C(C)C,0,0.0,
+CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+CC(C)OCCCNC(=O)CCN1C(=O)COc2ccccc21,0,0.0,
+CC(C)OCCCNC(=O)CCc1nc(-c2ccccc2)no1,0,0.0,
+CC(C)OCCCNC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21,0,0.0,
+CC(C)OCCCNC(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)OCCCNC(=O)CN1CCN(Cc2ccccc2Cl)C1=O,0,0.0,
+CC(C)OCCCNC(=O)CNC(=O)c1cccs1,0,0.0,
+CC(C)OCCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CC(C)OCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21,0,0.0,
+CC(C)OCCCNC(=O)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+CC(C)OCCCNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12,0,0.0,
+CC(C)OCCCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12,0,0.0,
+CC(C)OCCCNC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12,0,0.0,
+CC(C)OCCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,0,0.0,
+CC(C)OCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2,1,100.0,0.0
+CC(C)OCCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1,0,0.0,
+CC(C)OCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+CC(C)OCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+CC(C)OCCCNC(=O)c1ccc2c(c1)ncn2C1CCCC1,0,0.0,
+CC(C)OCCCNC(=O)c1cccs1,0,0.0,
+CC(C)OCCCNC(=O)c1ccncc1,0,0.0,
+CC(C)OCCCNC(=O)c1sc(=S)n(C)c1N,0,0.0,
+CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+CC(C)OCCCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)OCCCNc1nc2c(c(=O)n(Cc3ccccc3F)c(=O)n2C)n1C,0,0.0,
+CC(C)OCCCNc1ncc2c(n1)CC(c1ccc(N(C)C)cc1)CC2=O,0,0.0,
+CC(C)OCCCNc1ncnc2c1[nH]c1ccc(F)cc12,1,100.0,
+CC(C)OCCCNc1ncnc2c1[nH]c1ccccc12,1,100.0,
+CC(C)OCCCNc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+CC(C)OCCCn1c(-c2ccco2)nc2nc3ccccc3nc21,0,0.0,
+CC(C)OCCCn1c(=N)c(C(N)=S)cc2c(=O)n3ccccc3nc21,0,0.0,
+CC(C)OCCCn1c(=NC(=O)c2ccncc2)c(C#N)cc2c(=O)n3ccccc3nc21,0,0.0,
+CC(C)OCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,0,0.0,
+CC(C)OCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O,0,0.0,
+CC(C)OCCCn1c(=S)[nH]c2ncccc2c1=O,0,0.0,
+CC(C)OCP(=O)(c1ccccc1)c1ccccc1,0,0.0,
+CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl,0,0.0,
+CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F,0,0.0,
+CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccncc1,0,0.0,
+CC(C)OP(C)(=O)CN1CCN(CP(C)(=O)OC(C)C)CC1,0,0.0,
+CC(C)Oc1c(Cl)cc(CNC(C)(C)CO)cc1Cl,0,0.0,
+CC(C)Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,0,0.0,
+CC(C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3,0,0.0,
+CC(C)Oc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1,0,0.0,
+CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3ncnn3c2=O)cc1,0,0.0,
+CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccncc2)cc1,0,0.0,
+CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccco2)cc1,0,0.0,
+CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccc2)cc1,0,0.0,
+CC(C)Oc1ccc(C(=O)CCN2CCCCC2)cc1,0,0.0,
+CC(C)Oc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1,0,0.0,
+CC(C)Oc1ccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CC(C)Oc1ccc(C(=O)N2CCCC2C(=O)O)cc1,0,0.0,
+CC(C)Oc1ccc(C(=O)N2CCCc3ccccc32)cc1,0,0.0,
+CC(C)Oc1ccc(C(=O)NCc2cccnc2)cc1,0,0.0,
+CC(C)Oc1ccc(C(=O)NCc2ccco2)cc1,0,0.0,
+CC(C)Oc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1,0,0.0,
+CC(C)Oc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1,0,0.0,
+CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,1,100.0,1.0
+CC(C)Oc1ccc(C(CC(=O)O)NC(=O)C2CCCCC2)cc1,0,0.0,
+CC(C)Oc1ccc(C(CC(=O)O)NC(=O)CSc2ncn[nH]2)cc1,0,0.0,
+CC(C)Oc1ccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1,0,0.0,
+CC(C)Oc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1,0,0.0,
+CC(C)Oc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1,0,0.0,
+CC(C)Oc1ccc(C2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)cc1,0,0.0,
+CC(C)Oc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1,0,0.0,
+CC(C)Oc1ccc(C2CNC(=O)C2)cc1,0,0.0,
+CC(C)Oc1ccc(C2NC(=O)NC2=O)cc1,0,0.0,
+CC(C)Oc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,0,0.0,
+CC(C)Oc1ccc(CC2CC(=O)NC2=O)cc1,0,0.0,
+CC(C)Oc1ccc(CNC2CCOC(C)(C)C2)cc1,0,0.0,
+CC(C)Oc1ccc(CNCC2(O)CCOC(C)(C)C2)cc1,0,0.0,
+CC(C)Oc1ccc(CSc2nnc3n(C)c(=O)c4c5c(sc4n23)CCCC5)cc1,0,0.0,
+CC(C)Oc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1,0,0.0,
+CC(C)Oc1ccc(Cc2c(O)nc(NCCCN(C)C)[nH]c2=O)cc1,0,0.0,
+CC(C)Oc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1,0,0.0,
+CC(C)Oc1ccc(N2CC(C(=O)Nc3ccccc3F)CC2=O)cc1,0,0.0,
+CC(C)Oc1ccc(NC(=O)C2CCCNC2=O)cc1,0,0.0,
+CC(C)Oc1ccc(NC(=O)Oc2ccccc2)cc1,0,0.0,
+CC(C)Oc1ccc(NC(=O)c2ccncc2)cc1,0,0.0,
+CC(C)Oc1ccc(NC(N)=O)cc1,0,0.0,
+CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,0,0.0,
+CC(C)Oc1ccc2c3c(c(=O)oc2c1)CCC3,0,0.0,
+CC(C)Oc1ccc2nnnn2n1,0,0.0,
+CC(C)Oc1cccc(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c3ccccc3n2)c1,0,0.0,
+CC(C)Oc1cccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1,0,0.0,
+CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,0,0.0,
+CC(C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1,0,0.0,
+CC(C)Oc1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1,0,0.0,
+CC(C)Oc1cccc(C(=O)O)c1,0,0.0,
+CC(C)Oc1ccccc1-c1nc(SCC(=O)O)n[nH]1,0,0.0,
+CC(C)Oc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,0,0.0,
+CC(C)Oc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3,0,0.0,
+CC(C)Oc1nc(-c2ccccc2O)nc2ccccc12,0,0.0,
+CC(C)Oc1snc(Cl)c1C(N)=O,0,0.0,
+CC(C)P(=O)(Cc1cccc(C#N)c1)C(C)C,0,0.0,
+CC(C)Sc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)Sc1nc(N)c2c3c(sc2n1)CN(C)CC3,0,0.0,
+CC(C)Sc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2,0,0.0,
+CC(C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2,0,0.0,
+CC(C)Sc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3,0,0.0,
+CC(C)Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1,0,0.0,
+CC(C)Sc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3,1,100.0,0.0
+CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C,0,0.0,
+CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1,0,0.0,
+CC(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0,0.0,
+CC(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,0,0.0,
+CC(C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2,0,0.0,
+CC(C)Sc1nc2c(c(=O)n1C)SC(C)C2,0,0.0,
+CC(C)Sc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1,0,0.0,
+CC(C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1,0,0.0,
+CC(C)Sc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n12)CCCC3,0,0.0,
+CC(C)Sc1ncnc2c1oc1ccccc12,0,0.0,
+CC(C)Sc1nnc(-c2c[nH]c3ccccc23)n1C,0,0.0,
+CC(C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1,0,0.0,
+CC(C)Sc1nnc(NC(=O)C2CC2)s1,0,0.0,
+CC(C)Sc1nnc(Nc2ccccc2)s1,0,0.0,
+CC(C)Sc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1,0,0.0,
+CC(C)Sc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1,0,0.0,
+CC(C)Sc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1,0,0.0,
+CC(C)Sc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,0,0.0,
+CC(C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CC(C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1,0,0.0,
+CC(C)[C@@H](C(=O)NCC1CCC(C(=O)O)CC1)n1nnc2ccccc2c1=O,0,0.0,
+CC(C)[C@@H]1NC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O,0,0.0,
+CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21,0,0.0,
+CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,0,0.0,
+CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,0,0.0,
+CC(C)[C@H](N)c1nnc(SCc2ccc(Cl)cc2)o1,0,0.0,
+CC(C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)NC1CCCC1)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)NC1CCCc2ccccc21)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)NCCc1ccc(Cl)cc1)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)NCCc1ccc(F)cc1)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)NCc1ccco1)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)NCc1cccs1)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O,0,0.0,
+CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,0,0.0,
+CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1,0,0.0,
+CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1,0,0.0,
+CC(C)[C@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)O)CC1,0,0.0,
+CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,0,0.0,
+CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C,1,100.0,1.0
+CC(C)[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2,1,100.0,1.0
+CC(C)c1[nH]c(=O)c(C#N)c2c1CSC(C)(C)C2,0,0.0,
+CC(C)c1[nH]nc2c1C(C(C)C)C(C#N)=C(N)O2,0,0.0,
+CC(C)c1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2,0,0.0,
+CC(C)c1[nH]nc2c1C(c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2,0,0.0,
+CC(C)c1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2,0,0.0,
+CC(C)c1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2,0,0.0,
+CC(C)c1c(C#N)c(N)nc(SCC(=O)c2cc3ccccc3oc2=O)c1C#N,0,0.0,
+CC(C)c1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O,0,0.0,
+CC(C)c1c(O)nc(SCCN(C)C)[nH]c1=O,0,0.0,
+CC(C)c1c(O)nc(SCc2ccccc2)[nH]c1=O,0,0.0,
+CC(C)c1cc(=O)oc2c3c4c(cc12)CCCN4CCC3,0,0.0,
+CC(C)c1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1,0,0.0,
+CC(C)c1cc(C(=O)NC2CCCCC2)no1,0,0.0,
+CC(C)c1cc(C(=O)NCc2cccnc2)no1,0,0.0,
+CC(C)c1cc(C(=O)NCc2ccco2)no1,0,0.0,
+CC(C)c1cc(C(=O)Nc2cc(Cl)ccc2O)no1,0,0.0,
+CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1,0,0.0,
+CC(C)c1cc(C(=O)Nc2cccc(Cl)c2)no1,0,0.0,
+CC(C)c1cc(C(=O)Nc2cccnc2)no1,0,0.0,
+CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1,0,0.0,
+CC(C)c1cc(C(=O)O)on1,0,0.0,
+CC(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc4c(c3)OCO4)cc2n1,0,0.0,
+CC(C)c1cc(C(N)=O)c(NC(=O)C2CCC2)s1,0,0.0,
+CC(C)c1cc(CN2CCN(CCC#N)CC2)cc(C(C)C)c1O,0,0.0,
+CC(C)c1cc(N2CCN(C(=O)c3ccco3)CC2)n2c(nc3ccccc32)c1C#N,0,0.0,
+CC(C)c1cc(NC(=O)C(C)(C)C)cc(C(C)C)c1O,0,0.0,
+CC(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)on1,0,0.0,
+CC(C)c1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N,0,0.0,
+CC(C)c1cc(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N,0,0.0,
+CC(C)c1cc(Nc2cccc(O)c2)cc(C(C)C)c1O,0,0.0,
+CC(C)c1ccc(-c2nc(N3CCCC3)nc3n[nH]c(N)c23)cc1,0,0.0,
+CC(C)c1ccc(-c2nc(N3CCCCC3)[nH]c(=O)c2C#N)cc1,0,0.0,
+CC(C)c1ccc(-c2nc(N3CCOCC3)[nH]c(=O)c2C#N)cc1,0,0.0,
+CC(C)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+CC(C)c1ccc(-c2nn[nH]n2)cc1,0,0.0,
+CC(C)c1ccc(-c2nnn(CCC(=O)O)n2)cc1,0,0.0,
+CC(C)c1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,0,0.0,
+CC(C)c1ccc(-c2noc(C3CCCN(C(=O)c4ccc(F)cc4F)C3)n2)cc1,0,0.0,
+CC(C)c1ccc(C(=O)CSc2ncn[nH]2)cc1,0,0.0,
+CC(C)c1ccc(C(=O)N2CCN(CCO)CC2)cc1,0,0.0,
+CC(C)c1ccc(C(O)c2cnc(C(C)C)n2C)cc1,0,0.0,
+CC(C)c1ccc(C2CC(=O)N3CN(C)CSC3=C2C#N)cc1,0,0.0,
+CC(C)c1ccc(C2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1,0,0.0,
+CC(C)c1ccc(CNc2ccc(N3CCOCC3)cc2)cc1,0,0.0,
+CC(C)c1ccc(N(CC(=O)O)S(=O)(=O)c2cccnc2)cc1,0,0.0,
+CC(C)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1,1,100.0,0.0
+CC(C)c1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)C(c2ccc3c(c2)OCO3)N2CCC3(CC2)OCCO3)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)C(c2ccc3c(c2)OCO3)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)C(c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)C(c2ccccc2)N2CCN(C=O)CC2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)C(c2ccccc2)N2CCOCC2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)C2C3C=CC4(CN(CCCN5CCOCC5)C(=O)C24)O3)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)NC2CCCCC2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)c2cccnc2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1,0,0.0,
+CC(C)c1ccc(NC(=O)c2csnn2)cc1,0,0.0,
+CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCC(C(N)=O)CC4)c(=O)c3c2)cc1,0,0.0,
+CC(C)c1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1,0,0.0,
+CC(C)c1ccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1,0,0.0,
+CC(C)c1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1,0,0.0,
+CC(C)c1ccc(O)c(N)c1,1,100.0,0.0
+CC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1,0,0.0,
+CC(C)c1ccc(O)c(NC(=O)c2ncn[nH]2)c1,1,100.0,
+CC(C)c1ccc(OC(=O)NCCO)cc1,0,0.0,
+CC(C)c1ccc(OCC(=O)N2CCN(C)CC2)c(Br)c1,0,0.0,
+CC(C)c1ccc(OCC(=O)NCc2ccco2)cc1,0,0.0,
+CC(C)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1,0,0.0,
+CC(C)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1,0,0.0,
+CC(C)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1,0,0.0,
+CC(C)c1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1,0,0.0,
+CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1,0,0.0,
+CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+CC(C)c1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc(N(C)C)cc3)CC2)cc1,0,0.0,
+CC(C)c1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1,0,0.0,
+CC(C)c1ccc2c(c1)C(=O)NC(C)(C)C2,0,0.0,
+CC(C)c1ccc2oc(-c3cc(N)ccc3O)nc2c1,0,0.0,
+CC(C)c1ccc2oc(-c3ccc(N)cc3)nc2c1,0,0.0,
+CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ncn[nH]4)cc3)nc2c1,0,0.0,
+CC(C)c1ccc2oc(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1,0,0.0,
+CC(C)c1ccc2oc(=O)cc(CN3CCN(c4ccccc4)CC3)c2c1,0,0.0,
+CC(C)c1cccc(C(C)C)c1OCCn1ccnc1,1,100.0,1.0
+CC(C)c1ccccc1N1CC(C(=O)O)CC1=O,0,0.0,
+CC(C)c1ccccc1N=C1SCCN1C1CCS(=O)(=O)C1,0,0.0,
+CC(C)c1ccccc1NC(=O)CCCC(=O)O,0,0.0,
+CC(C)c1ccccc1NC(=O)c1cccnc1,0,0.0,
+CC(C)c1ccccc1NC(=O)c1ccco1,0,0.0,
+CC(C)c1ccccc1NC(=O)c1cnccn1,0,0.0,
+CC(C)c1ccccc1OCCCCCNCCO,0,0.0,
+CC(C)c1ccccc1OCCNS(C)(=O)=O,0,0.0,
+CC(C)c1nc(-c2c(N)n(C)c(=O)n(C)c2=O)sc1C(=O)C(C)(C)C,0,0.0,
+CC(C)c1nc(-c2ccccn2)no1,0,0.0,
+CC(C)c1nc(=S)c2ccccc2[nH]1,0,0.0,
+CC(C)c1nc(=S)n(-c2ccccc2)[nH]1,0,0.0,
+CC(C)c1nc(C#N)c(NCCCn2ccnc2)o1,0,0.0,
+CC(C)c1nc(N2CCCC2)c(C#N)c2c1CCCC2,0,0.0,
+CC(C)c1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CC(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCCC3,0,0.0,
+CC(C)c1nc(N2CCOCC2)c(C#N)c2c1CCC2,0,0.0,
+CC(C)c1nc(N2CCOCC2)c(C#N)c2c1CCCC2,0,0.0,
+CC(C)c1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CC(C)c1nc(NCC2CCCO2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CC(C)c1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CC(C)c1nc(SCC(=O)N2CCCC2)c2ccccc2n1,0,0.0,
+CC(C)c1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1,1,100.0,
+CC(C)c1nc(SCC(=O)N2CCOCC2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CC(C)c1nc(SCC(=O)NCc2ccc3c(c2)OCO3)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CC(C)c1nc(SCC(=O)NCc2ccccc2)n[nH]1,0,0.0,
+CC(C)c1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CC(C)c1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CC(C)c1nc(SCc2c(F)cccc2Cl)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CC(C)c1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CC(C)c1nc2cc3ccccc3cc2[nH]1,0,0.0,
+CC(C)c1nc2ccccc2c2nnc(SCC(=O)NCc3ccco3)n12,0,0.0,
+CC(C)c1nc2n[nH]c(N)c2c2c1CCC2,0,0.0,
+CC(C)c1nc2n[nH]c(N)c2c2c1CCCC2,0,0.0,
+CC(C)c1nc2oc3c(=O)[nH]cnc3c2c2c1CCC2,0,0.0,
+CC(C)c1nc2oc3c(N4CCN(C)CC4)ncnc3c2c2c1CCC2,0,0.0,
+CC(C)c1nc2oc3c(N4CCNCC4)ncnc3c2c2c1CCC2,1,100.0,1.0
+CC(C)c1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1CCC2,0,0.0,
+CC(C)c1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1COC(C)(C)C2,0,0.0,
+CC(C)c1nc2oc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2,0,0.0,
+CC(C)c1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC2,0,0.0,
+CC(C)c1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2,0,0.0,
+CC(C)c1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2c1CCC2,0,0.0,
+CC(C)c1nc2sc3c(c2c(=O)o1)CCCC3,0,0.0,
+CC(C)c1ncc(C(O)c2cccc3ccccc23)n1C,0,0.0,
+CC(C)c1nccn1S(=O)(=O)c1cc(Cl)ccc1Cl,0,0.0,
+CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)C2CCCCC2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)O)s1,0,0.0,
+CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(C3CCCCC3)CC2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)CCC(=O)NCc2ccc3c(c2)OCO3)s1,0,0.0,
+CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)CCCC(=O)O)s1,0,0.0,
+CC(C)c1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1,0,0.0,
+CC(C)c1nnc(NC(=O)CCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)s1,0,0.0,
+CC(C)c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1,0,0.0,
+CC(C)c1nnc(NC(=O)CSc2nc3ccccc3s2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)Cc2cccs2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)Cn2nc(-c3ccc4c(c3)OCCO4)ccc2=O)s1,0,0.0,
+CC(C)c1nnc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)s1,0,0.0,
+CC(C)c1nnc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)s1,0,0.0,
+CC(C)c1nnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)c2cccc(-n3cnnn3)c2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)c2cccs2)s1,0,0.0,
+CC(C)c1nnc(NC(=O)c2cnccn2)s1,0,0.0,
+CC(C)c1nnc(SCC(=O)NCc2ccco2)n1C,0,0.0,
+CC(C)c1nnc(SCc2ccc(CSc3nnc(C(C)C)n3N)cc2)n1N,0,0.0,
+CC(C)n1c(-c2ccc(N(C)C)cc2)nc2ccccc21,0,0.0,
+CC(C)n1c(-c2cccnc2)nc2cnccc21,0,0.0,
+CC(C)n1c(-c2ccco2)csc1=Nc1cccnc1,1,100.0,1.0
+CC(C)n1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21,1,100.0,1.0
+CC(C)n1c(=NC(=O)c2ccco2)c(C#N)cc2c(=O)n3ccccc3cc21,0,0.0,
+CC(C)n1c(=O)[nH]c2ccccc21,0,0.0,
+CC(C)n1c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc2occc21,0,0.0,
+CC(C)n1c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc2sccc21,0,0.0,
+CC(C)n1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21,0,0.0,
+CC(C)n1c(C(O)c2ccccc2)nc2ccccc21,0,0.0,
+CC(C)n1c(CCC(=O)O)ccc1-c1ccccc1,0,0.0,
+CC(C)n1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c(CNC(=O)c2ccccc2)nc2ccccc21,0,0.0,
+CC(C)n1c(N2CCN(C(=O)N3CCCCC3)CC2)nc2ccccc21,0,0.0,
+CC(C)n1c(N2CCN(C(=O)NCc3ccccc3)CC2)nc2ccccc21,0,0.0,
+CC(C)n1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21,0,0.0,
+CC(C)n1c(N2CCN(CC(=O)NCc3cccs3)CC2)nc2ccccc21,0,0.0,
+CC(C)n1c(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)nc2ccccc21,0,0.0,
+CC(C)n1c(NCc2c[nH]c3ccccc23)nc2ccccc21,0,0.0,
+CC(C)n1c(NCc2cc(Cl)ccc2O)nc2ccccc21,0,0.0,
+CC(C)n1c(NCc2ccc(N(C)C)cc2)nc2ccccc21,0,0.0,
+CC(C)n1c(NCc2cccs2)nc2ccccc21,0,0.0,
+CC(C)n1c(Nc2ccccc2)nc2ccccc21,0,0.0,
+CC(C)n1c(Nn2cnnc2)nc2ccccc21,0,0.0,
+CC(C)n1c(SC2C(=O)CC(C)(C)CC2=O)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c(SC2CCOC2=O)nc2ccccc21,0,0.0,
+CC(C)n1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c(SCC(=O)Nc2ccccc2N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c(SCC(N)=O)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)n1c(SCC(N)=O)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)n1c(SCc2cc(=O)[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C)n1c(SCc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c(Sc2nccn2C)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(C)n1c2ccccc2c2nc3ccccc3nc21,0,0.0,
+CC(C)n1c2ccccc2c2nnc(SCC(=O)OCN3C(=O)c4ccccc4C3=O)nc21,0,0.0,
+CC(C)n1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c2ccccc21,0,0.0,
+CC(C)n1cc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)cn1,0,0.0,
+CC(C)n1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O,0,0.0,
+CC(C)n1nc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c2ccccc2c1=O,0,0.0,
+CC(C)n1nc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c2ccccc2c1=O,0,0.0,
+CC(C)n1ncc(C(N)=O)c1N,0,0.0,
+CC(C)n1nnnc1C(c1ccc(F)cc1)N1CCN(C2CCCC2)CC1,0,0.0,
+CC(C)n1nnnc1CN1CCN(C)CC1,0,0.0,
+CC(C)n1nnnc1SCC(=O)N1CCOCC1,0,0.0,
+CC(C)n1nnnc1SCC(=O)NCc1cccs1,0,0.0,
+CC(C)n1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+CC(C1CC1)N(C(=O)NC1CCS(=O)(=O)C1)c1ccccc1,0,0.0,
+CC(C1CC1)N(C(=O)c1ccccc1O)c1ccccc1,1,100.0,0.0
+CC(CC#CCN1CCOCC1)OCCC#N,0,0.0,
+CC(CC(=O)NC1CCSC1=O)c1ccccc1,0,0.0,
+CC(CC(=O)NCc1ccccc1)C1CCCO1,0,0.0,
+CC(CC(=O)Nc1ccncc1)c1ccccc1,0,0.0,
+CC(CC(=O)O)CC(=O)Nc1ccccc1C(=O)O,0,0.0,
+CC(CC(=O)O)CC1=NS(=O)(=O)c2ccccc2N1,0,0.0,
+CC(CC(=O)O)NCC1COc2ccccc2O1,0,0.0,
+CC(CC(=O)c1cccs1)CC(=O)c1cccs1,0,0.0,
+CC(CC(C)C(=O)N1CCOCCN(C(=O)C(C)CC(C)C(=O)O)CCOCC1)C(=O)O,0,0.0,
+CC(CC1C(C#N)=C(N)OC2=C1C(=O)CCC2)c1ccccc1,0,0.0,
+CC(CC1C(C#N)=C(N)SC(N)=C1C#N)c1ccccc1,0,0.0,
+CC(CCC(=O)Nc1nncs1)C(=O)O,0,0.0,
+CC(CCCC(C)(C)O)NCCO,0,0.0,
+CC(CCN(C)C)OC(=O)c1ccc(C(C)c2ccccc2)o1,1,100.0,1.0
+CC(CCO)Nc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,0,0.0,
+CC(CCc1ccc(O)cc1)N(C)CCc1ccccc1,1,100.0,1.0
+CC(CCc1ccccc1)C(=O)NO,0,0.0,
+CC(CCc1ccccc1)NC(=O)C1CCCN(C(=O)c2cc3sccc3n2C)C1,0,0.0,
+CC(CCc1ccccc1)NC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1,0,0.0,
+CC(CCc1ccccc1)NC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1,0,0.0,
+CC(CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+CC(CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,0,0.0,
+CC(CCc1ccccc1)NC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1,0,0.0,
+CC(CCc1ccccc1)NC(=O)CN1CCN(Cc2ccccc2)C1=O,0,0.0,
+CC(CCc1ccccc1)NC(=O)CN1CCOc2ccccc21,0,0.0,
+CC(CCc1ccccc1)NC(=O)COC(=O)C1=COCCO1,0,0.0,
+CC(CCc1ccccc1)NC(=O)CSc1nc(N)cc(N)n1,0,0.0,
+CC(CCc1ccccc1)NC(=O)CSc1nccc(=O)[nH]1,0,0.0,
+CC(CCc1ccccc1)NC(=O)CSc1nnnn1C,0,0.0,
+CC(CCc1ccccc1)NC(=O)c1cc2sccc2n1C,0,0.0,
+CC(CCc1ccccc1)NC(=O)c1ccc(Br)o1,0,0.0,
+CC(CCc1ccccc1)NC(=O)c1cccnc1,0,0.0,
+CC(CCc1ccccc1)NC(=O)c1ccncc1,0,0.0,
+CC(CCc1ccccc1)NC(=O)c1nnc(Cc2ccc(F)cc2)o1,0,0.0,
+CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,0,0.0,
+CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,0,0.0,
+CC(CCc1ccccc1)NCc1ccncc1,0,0.0,
+CC(CCc1ccco1)NC(=O)CSc1cc(=O)n(C)c2ccccc12,0,0.0,
+CC(CCc1ccco1)NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O,0,0.0,
+CC(CCc1ccco1)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21,0,0.0,
+CC(CCc1ccco1)NC(=O)Cn1ncc2c1-c1ccccc1OC2,0,0.0,
+CC(CCc1ccco1)NC(=O)Nc1cccc(F)c1,0,0.0,
+CC(CCc1ccco1)NC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1,0,0.0,
+CC(CN(C)Cc1ccccc1)OC(=O)C1COc2ccccc2O1,0,0.0,
+CC(CN(C)Cc1ccccc1)OC(=O)c1ccc2c(c1)OCCO2,1,100.0,1.0
+CC(CN(C)Cc1ccccc1)OC(=O)c1cccs1,0,0.0,
+CC(CN1CCCC(C(N)=O)C1)c1ccccc1,0,0.0,
+CC(CN1CCCC1)OC(=O)COc1ccccc1,0,0.0,
+CC(CN1CCCCC1)OC(=O)Cc1ccc(Cl)cc1,0,0.0,
+CC(CN1CCCCC1)OC(=O)c1cc2ccccc2o1,1,100.0,1.0
+CC(CN1CCCCC1)OC(=O)c1ccc(Cl)cc1,0,0.0,
+CC(CN1CCCCC1)OC(=O)c1ccc(Cl)cc1Cl,0,0.0,
+CC(CN1CCCCC1)OC(=O)c1ccc2c(c1)OCO2,1,100.0,0.0
+CC(CN1CCCCC1)OC(=O)c1ccccc1Cl,0,0.0,
+CC(CN1CCN(C)CC1)OC(=O)c1ccc(Cl)cc1Cl,0,0.0,
+CC(CN1CCN(C)CC1)OC(=O)c1ccccc1Cl,0,0.0,
+CC(CN1CCNCC1)(NS(=O)(=O)c1ccccc1)c1ccccc1,0,0.0,
+CC(CN1CCOCC1)(NS(=O)(=O)c1ccccc1)c1ccccc1,0,0.0,
+CC(CN1CCOCC1)OC(=O)COc1ccc(F)cc1,0,0.0,
+CC(CN1CCOCC1)OC(=O)c1ccc(Br)cc1,0,0.0,
+CC(CN1CCOCC1)OC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CC(CN1CCOCC1)OC(=O)c1ccccc1Br,0,0.0,
+CC(CN1c2ccccc2Sc2ccccc21)N(C)C,1,100.0,
+CC(CNC(=O)C1CCCCC1)NC(=O)C1CCCCC1,0,0.0,
+CC(CNC(=O)c1ccc(Br)o1)NC(=O)c1ccc(Br)o1,0,0.0,
+CC(CNC(=O)c1cncc(O)c1)NC(=O)c1cncc(O)c1,0,0.0,
+CC(CNCc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2,0,0.0,
+CC(CNS(=O)(=O)c1cc(Cl)ccc1Cl)CN(C)C,0,0.0,
+CC(CO)(CO)N=Cc1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O,0,0.0,
+CC(COc1cccc2ccccc12)CN1CCN(C)CC1,0,0.0,
+CC(COc1ccccc1)N(CCCl)Cc1ccccc1,0,0.0,
+CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,0,0.0,
+CC(CP(=O)(O)O)NC(=O)Cc1ccccc1,0,0.0,
+CC(CS(=O)(=O)c1cccc2cccnc12)N1CCCCC1,0,0.0,
+CC(CSc1nc2ccccc2s1)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(C[N+](C)(C)C)OC(N)=O,1,100.0,
+CC(Cc1c[nH]c2ccccc12)NC(=O)C1CCCNC1=O,0,0.0,
+CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1,0,0.0,
+CC(Cc1ccccc1)N/C=C1/CC(=O)NC1=O,0,0.0,
+CC(Cc1ccccc1)[n+]1cc(/N=C(\N)[O-])on1,0,0.0,
+CC(Cc1ccccc1)[n+]1cc(/N=C(\[O-])N(C)C)on1,0,0.0,
+CC(Cc1cccs1)NC(=O)NC1CCCCC1,0,0.0,
+CC(Cc1cccs1)NC(=O)Nc1ccccc1,1,100.0,0.0
+CC(N)C(=O)c1ccco1,0,0.0,
+CC(N)C12CC3CC(C1)CC(C(C)N)(C3)C2,0,0.0,
+CC(N)Cc1c[nH]c2cc3c(cc12)OCCO3,0,0.0,
+CC(N=C1NS(=O)(=O)c2ccccc21)c1ccccc1,0,0.0,
+CC(N=Cc1c(O)[nH]c(=O)[nH]c1=O)c1ccccc1,0,0.0,
+CC(N=Cc1cccc(O)c1O)c1ccccc1,0,0.0,
+CC(N=c1ccccn1C(=O)Nc1ccc(Cl)cc1)c1ccco1,0,0.0,
+CC(N=c1ccccn1C(=O)Nc1ccc(F)cc1)c1ccco1,0,0.0,
+CC(NC(=O)C(C)(C)C)c1nc2ccccc2n1C,0,0.0,
+CC(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(N)=O,0,0.0,
+CC(NC(=O)C(NC(=O)C1CCCN1C(=O)OC(C)(C)C)C(C)C)C(N)=O,0,0.0,
+CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)O,0,0.0,
+CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCN(C)C,0,0.0,
+CC(NC(=O)C1C(=O)N(CCO)C2(C)CC1c1ccccc1O2)c1ccccc1,0,0.0,
+CC(NC(=O)C1C2C=CC(C2)C1C(=O)O)c1ccccc1,0,0.0,
+CC(NC(=O)C1CC1)C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+CC(NC(=O)C1CC2CCCC(C1)C2=O)c1ccccc1,0,0.0,
+CC(NC(=O)C1CC=CCC1C(=O)O)C1CC2CCC1C2,0,0.0,
+CC(NC(=O)C1CCC(=O)N1Cc1ccc(F)cc1)c1ccc2c(c1)OCCO2,0,0.0,
+CC(NC(=O)C1CCC1)c1ccc(Cl)cc1,0,0.0,
+CC(NC(=O)C1CCC1)c1ccc2c(c1)OCO2,0,0.0,
+CC(NC(=O)C1CCC1)c1ccccc1,0,0.0,
+CC(NC(=O)C1CCCCC1)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(NC(=O)C1CCCCC1)C(c1cccs1)N1CCOCC1,0,0.0,
+CC(NC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2,0,0.0,
+CC(NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1,0,0.0,
+CC(NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1,0,0.0,
+CC(NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1)c1ccccc1,0,0.0,
+CC(NC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CC(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1,0,0.0,
+CC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O,0,0.0,
+CC(NC(=O)CC1Nc2ccccc2NC1=O)c1ccccc1,0,0.0,
+CC(NC(=O)CCC(=O)NC(C)C1COc2ccccc2O1)C1COc2ccccc2O1,0,0.0,
+CC(NC(=O)CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1,0,0.0,
+CC(NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1,0,0.0,
+CC(NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1,0,0.0,
+CC(NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccc2c(c1)OCCO2,0,0.0,
+CC(NC(=O)CNC(=O)OCc1ccccc1)C(=O)N1CC(O)CC1C(=O)OCc1ccccc1,0,0.0,
+CC(NC(=O)COC(=O)CCNC(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CC(NC(=O)COc1cc(=O)n(C)c2ccccc12)c1ccc2c(c1)OCCO2,0,0.0,
+CC(NC(=O)COc1ccc(Br)cc1)C(=O)O,0,0.0,
+CC(NC(=O)COc1cccc(Br)c1)C(=O)O,0,0.0,
+CC(NC(=O)COc1ccccc1)C(=O)NC1=NCCS1,0,0.0,
+CC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1,0,0.0,
+CC(NC(=O)COc1ccccc1)C(c1ccccc1)N1CCN(C)CC1,0,0.0,
+CC(NC(=O)COc1ccccc1)C1COc2ccccc2O1,0,0.0,
+CC(NC(=O)CSc1n[nH]c(=O)n1C1CC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CC(NC(=O)CSc1nc2c(cc1C#N)CN(C)CC2)c1ccccc1,0,0.0,
+CC(NC(=O)CSc1nc2ccccc2c(=O)[nH]1)c1ccccc1,0,0.0,
+CC(NC(=O)CSc1nc2ccccc2c(=O)n1CCCO)c1ccccc1,0,0.0,
+CC(NC(=O)CSc1ncccn1)c1ccccc1,0,0.0,
+CC(NC(=O)CSc1ncnc2nc[nH]c12)c1ccccc1,1,100.0,0.0
+CC(NC(=O)CSc1nnc(COc2ccccc2)o1)c1ccccc1,0,0.0,
+CC(NC(=O)CSc1nnc(Cc2ccccc2)o1)c1ccccc1,0,0.0,
+CC(NC(=O)Cc1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(NC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1,0,0.0,
+CC(NC(=O)Cc1cccs1)C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+CC(NC(=O)Cc1cccs1)C(c1cccs1)N1CCN(c2ccccc2F)CC1,0,0.0,
+CC(NC(=O)Cc1cccs1)C(c1cccs1)N1CCOCC1,1,100.0,
+CC(NC(=O)Cc1cccs1)c1ccc2c(c1)OCO2,0,0.0,
+CC(NC(=O)Cc1cccs1)c1ccncc1,0,0.0,
+CC(NC(=O)Cc1ccsc1)c1ccc(S(N)(=O)=O)cc1,0,0.0,
+CC(NC(=O)Cn1cc2c(n1)CCCCC2)c1ccccc1,0,0.0,
+CC(NC(=O)Cn1ccsc1=N)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CC(NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1,0,0.0,
+CC(NC(=O)Cn1cnnn1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CC(NC(=O)Cn1nc(C(=O)O)c2ccccc2c1=O)c1ccccc1,0,0.0,
+CC(NC(=O)NC(N)=O)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(NC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCCO1,0,0.0,
+CC(NC(=O)NC1CCCCC1)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(NC(=O)NC1CCCCC1)C(c1cccs1)N1CCOCC1,0,0.0,
+CC(NC(=O)NCC1CCCO1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(NC(=O)NCCCC(=O)O)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(NC(=O)NCCCn1ccnc1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(NC(=O)NCc1cccnc1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(NC(=O)Nc1ccc(F)cc1F)c1ccncc1,0,0.0,
+CC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(NC(=O)Nc1ccc2c(c1)OCO2)C1CCCO1,0,0.0,
+CC(NC(=O)Nc1ccccc1)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(NC(=O)Nc1ccccc1)C(c1cccs1)N1CCOCC1,0,0.0,
+CC(NC(=O)Nc1ccccc1)c1ccccc1,0,0.0,
+CC(NC(=O)Nc1ccccc1C(F)(F)F)C1CCCO1,0,0.0,
+CC(NC(=O)Nc1ccccc1O)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(NC(=O)Nc1ccccn1)N1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+CC(NC(=O)Nc1cccnc1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(NC(=O)Nc1ncccn1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(NC(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F,1,100.0,1.0
+CC(NC(=O)Nc1nnc(C(F)(F)F)s1)N1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(N)=O,0,0.0,
+CC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1,0,0.0,
+CC(NC(=O)OC1CCCCC1)N1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+CC(NC(=O)OCc1ccccc1)C(=O)N1CC(O)CC1C(=O)O,0,0.0,
+CC(NC(=O)OCc1ccccc1)C(=O)NCC1CCCO1,0,0.0,
+CC(NC(=O)OCc1ccccc1)C(=O)OCN1C(=O)c2ccccc2C1=O,0,0.0,
+CC(NC(=O)Oc1ccccc1)C(c1cccs1)N1CCOCC1,0,0.0,
+CC(NC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccccc1,0,0.0,
+CC(NC(=O)c1cc(-c2cccs2)on1)c1ccccc1,0,0.0,
+CC(NC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C)c1ccc2c(c1)OCCO2,0,0.0,
+CC(NC(=O)c1cc2ccccc2o1)C(=O)O,0,0.0,
+CC(NC(=O)c1cc2ccccc2o1)c1cccs1,0,0.0,
+CC(NC(=O)c1cc2sccc2n1C)c1ccc2c(c1)OCCO2,0,0.0,
+CC(NC(=O)c1ccc(=O)oc1)c1ccccc1,0,0.0,
+CC(NC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1)c1ccc2c(c1)OCCO2,0,0.0,
+CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1,0,0.0,
+CC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1=NCCS1,0,0.0,
+CC(NC(=O)c1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(NC(=O)c1ccc(N(C)C)cc1)C(c1cccs1)N1CCN(C)CC1,1,100.0,0.0
+CC(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1,0,0.0,
+CC(NC(=O)c1ccc2c(c1)OCCO2)C(=O)O,0,0.0,
+CC(NC(=O)c1ccc2c(c1)OCO2)C(c1cccs1)N1CCOCC1,0,0.0,
+CC(NC(=O)c1ccc2c(c1)OCO2)C1CCCO1,0,0.0,
+CC(NC(=O)c1cccc(C(F)(F)F)c1)C1CCCO1,0,0.0,
+CC(NC(=O)c1cccc(F)c1)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCCO2,0,0.0,
+CC(NC(=O)c1ccccc1)C(=O)NC1=NCCS1,0,0.0,
+CC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1,0,0.0,
+CC(NC(=O)c1ccccc1Cl)C(=O)O,0,0.0,
+CC(NC(=O)c1ccccc1Cl)C1COc2ccccc2O1,0,0.0,
+CC(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)O,0,0.0,
+CC(NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1,0,0.0,
+CC(NC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1,0,0.0,
+CC(NC(=O)c1ccccc1O)c1ccccc1,0,0.0,
+CC(NC(=O)c1cccnc1)C(=O)N1CCCCC1,0,0.0,
+CC(NC(=O)c1cccnc1)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(NC(=O)c1cccnc1)C(c1cccs1)N1CCOCC1,0,0.0,
+CC(NC(=O)c1cccnc1)c1ccc2c(c1)OCO2,0,0.0,
+CC(NC(=O)c1ccco1)C(=O)Nc1nc(-c2ccccn2)cs1,0,0.0,
+CC(NC(=O)c1ccco1)C(=O)OCc1cccc(Cl)c1,0,0.0,
+CC(NC(=O)c1ccco1)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+CC(NC(=O)c1ccco1)C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+CC(NC(=O)c1ccco1)C(c1cccs1)N1CCN(c2ccccc2F)CC1,0,0.0,
+CC(NC(=O)c1ccco1)C(c1cccs1)N1CCOCC1,0,0.0,
+CC(NC(=O)c1ccco1)c1ccc2c(c1)OCCO2,0,0.0,
+CC(NC(=O)c1cccs1)C(=O)NC1=NCCS1,0,0.0,
+CC(NC(=O)c1cccs1)C(c1cccs1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+CC(NC(=O)c1cccs1)C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+CC(NC(=O)c1cccs1)C(c1cccs1)N1CCOCC1,0,0.0,
+CC(NC(=O)c1ccnc(C(C)(C)C)c1)c1ccccc1,0,0.0,
+CC(NC(=O)c1ccncc1)C(c1cccs1)N1CCOCC1,0,0.0,
+CC(NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)c1ccc2c(c1)OCCO2,0,0.0,
+CC(NC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1,0,0.0,
+CC(NC(=O)c1cncc(Br)c1)c1ccc(S(N)(=O)=O)cc1,0,0.0,
+CC(NC(=O)c1csc2ccccc12)C1CCCO1,0,0.0,
+CC(NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(F)cc1,0,0.0,
+CC(NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1,0,0.0,
+CC(NC(=O)c1noc2c1CCCC2)c1ccccc1,0,0.0,
+CC(NC(=O)c1noc2c1CCCCC2)c1ccccc1,0,0.0,
+CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,0,0.0,
+CC(NC(N)=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CC(NC1=NCCC1)c1ccccc1,0,0.0,
+CC(NCC1(N2CCOCC2)CCCCC1)C(=O)N1CCc2ccccc21,0,0.0,
+CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1,0,0.0,
+CC(NCCO)C(=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1,0,0.0,
+CC(NCc1ccco1)C(=O)N1CCc2ccccc2C1,0,0.0,
+CC(NO)C(C)(C)NO,0,0.0,
+CC(NS(=O)(=O)c1ccc(Br)cc1)C(N)=O,0,0.0,
+CC(NS(=O)(=O)c1ccc(Br)cc1)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(NS(=O)(=O)c1ccc(CCC(=O)N2CCN(C)CC2)cc1)c1ccccc1,0,0.0,
+CC(NS(=O)(=O)c1ccc(Cl)cc1)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccncc1,0,0.0,
+CC(NS(=O)(=O)c1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1)c1ccccc1,0,0.0,
+CC(NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1,0,0.0,
+CC(NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CC(NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1,0,0.0,
+CC(NS(=O)(=O)c1ccccc1)C(N)=O,0,0.0,
+CC(NS(=O)(=O)c1ccccc1)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(NS(=O)(=O)c1ccccc1)C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(c2ccccc2F)CC1,0,0.0,
+CC(Nc1cc(=O)n(C)c(=O)[nH]1)c1ccccc1,0,0.0,
+CC(Nc1cc(=O)n(C)c(=O)n1C)c1ccccc1,0,0.0,
+CC(Nc1n[nH]c(=S)[nH]c1=O)C(=O)OCc1ccccc1,0,0.0,
+CC(Nc1nc(N2CCCC2)nc2ccccc12)c1ccccc1,0,0.0,
+CC(Nc1nc(N2CCN(S(C)(=O)=O)CC2)nc2ccccc12)c1ccccc1,0,0.0,
+CC(Nc1ncnc2nc[nH]c12)c1ccccc1,0,0.0,
+CC(O)(C#CCN1CCCC1)c1ccccc1,1,100.0,0.0
+CC(O)(C#CCN1CCOCC1)c1ccccc1,0,0.0,
+CC(O)/C=C/c1ccc2ccccc2n1,0,0.0,
+CC(O)/C=C/c1cccc[n+]1C,0,0.0,
+CC(O)C(=O)NCCOCCOCCNC(=O)C(C)O,0,0.0,
+CC(O)C(O)C(O)C(O)C1NCCS1,0,0.0,
+CC(O)CCC(=O)NCCNC(=O)CCC(C)O,0,0.0,
+CC(O)CCc1nc2ccc(C(=O)O)cc2[nH]1,0,0.0,
+CC(O)CN(Cc1cccc(Cl)c1)CC(C)O,0,0.0,
+CC(O)CN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2)SC1=Nc1ccccc1,0,0.0,
+CC(O)CNC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1,1,100.0,0.0
+CC(O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1,0,0.0,
+CC(O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CC(O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1,0,0.0,
+CC(O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C(F)(F)F)c1,0,0.0,
+CC(O)CNc1nc2ccccc2n1-c1ncnc2sc3c(c12)CCC3,0,0.0,
+CC(O)CNc1ncnc2nc[nH]c12,0,0.0,
+CC(O)COc1ccc(/C(=N/O)c2ccccc2)cc1,0,0.0,
+CC(O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+CC(O)Cc1nsc(NC(=O)c2ccc(Br)o2)n1,0,0.0,
+CC(O)Cc1nsc(NC(=O)c2cccs2)n1,0,0.0,
+CC(O)Cn1ccccc1=N,0,0.0,
+CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CC(O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O,0,0.0,
+CC(O)c1c(OCc2ccccc2)ncnc1OCc1ccccc1,0,0.0,
+CC(O)c1cc2c(cc1NC(=O)c1cnn3c1NC(c1ccco1)CC3C(F)(F)F)OCO2,0,0.0,
+CC(O)c1ccc2c(c1)OCCOCCN(C)CCOCCO2,0,0.0,
+CC(O)c1cccc(NC(=O)CCC(=O)O)c1,0,0.0,
+CC(O)c1cccc(NC2=CC(=O)CC(C)(C)C2)c1,0,0.0,
+CC(O)c1n(C)c(Cl)c[n+]1C,0,0.0,
+CC(O)c1nc2ccc(Cc3ccc4nc(C(C)O)[nH]c4c3)cc2[nH]1,0,0.0,
+CC(O)c1nc2ccccc2n1C/C=C/c1ccccc1,0,0.0,
+CC(O)c1nc2ccccc2n1C1CCCCC1,0,0.0,
+CC(O)c1nc2ccccc2n1Cc1nnc(-c2ccc(Cl)cc2)o1,0,0.0,
+CC(OC(=O)C(NC(=O)c1ccco1)C(C)C)C(=O)Nc1ncc(Cl)cc1Cl,0,0.0,
+CC(OC(=O)C1CC=CCC1C(N)=O)C(Cl)=C(Cl)Cl,0,0.0,
+CC(OC(=O)C1CCCO1)C(=O)NC1CCCC1,0,0.0,
+CC(OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ncc(Cl)cc1Cl,1,100.0,0.0
+CC(OC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ncc(Cl)cc1Cl,0,0.0,
+CC(OC(=O)CCc1nc2ccccc2[nH]c1=O)C(=O)c1ccccc1,0,0.0,
+CC(OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CC(OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+CC(OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+CC(OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)NCCC1=CCCCC1,0,0.0,
+CC(OC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1,0,0.0,
+CC(OC(=O)c1cc2sccc2n1C)C(=O)NCC1CCCO1,0,0.0,
+CC(OC(=O)c1cc2sccc2n1C)C(=O)NCCc1ccccc1,0,0.0,
+CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1,0,0.0,
+CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1cccs1,0,0.0,
+CC(OC(=O)c1cc[n+]([O-])cc1)C(=O)Nc1ccc(Cl)cn1,0,0.0,
+CC(OC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+CC(OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+CC(OC(=O)c1ccccc1NCc1ccco1)C(=O)Nc1ncc(Cl)cc1Cl,0,0.0,
+CC(OC(=O)c1ccco1)C(=O)NC1CCCCC1,0,0.0,
+CC(OC(=O)c1ccco1)C(=O)NCc1cccs1,0,0.0,
+CC(OC(=O)c1cccs1)C(=O)NCC1CCCO1,0,0.0,
+CC(OC(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CC(OC(=O)c1cccs1)C(=O)NCc1ccccc1,0,0.0,
+CC(OC(=O)c1cccs1)C(=O)NCc1ccco1,0,0.0,
+CC(OC(=O)c1cccs1)C(=O)NCc1cccs1,0,0.0,
+CC(OC(=O)c1ccncc1)C(=O)Nc1cccc(Cl)c1,0,0.0,
+CC(OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1,0,0.0,
+CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1,0,0.0,
+CC(OC1=CC(=O)CCC1)C(=O)c1ccccc1,0,0.0,
+CC(OCC(O)CN(C)CCOc1ccccc1)c1ccc(Cl)cc1,1,100.0,1.0
+CC(OCc1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)NCC1CCCO1,0,0.0,
+CC(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC(N)=O,0,0.0,
+CC(Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1,0,0.0,
+CC(Oc1ccc(-c2ccccc2)cc1)C(=O)O,0,0.0,
+CC(Oc1ccc(Br)cc1)C(=O)N1CCc2ccccc21,0,0.0,
+CC(Oc1ccc(C(=O)NC2CCCCC2)cc1)C(=O)O,0,0.0,
+CC(Oc1ccc(Cl)cc1)C(=O)Nc1ncccn1,0,0.0,
+CC(Oc1ccc(Cl)cc1)C(=O)Nc1nccs1,0,0.0,
+CC(Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,0.0,
+CC(Oc1ccc(Cl)cc1Cl)C(=O)NC1CCSC1=O,0,0.0,
+CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN(C)C,0,0.0,
+CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCOCC1,0,0.0,
+CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCn1ccnc1,0,0.0,
+CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCN1CCOCC1,0,0.0,
+CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccncc1,1,100.0,0.0
+CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1,0,0.0,
+CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,0,0.0,
+CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1,0,0.0,
+CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccn1,0,0.0,
+CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3cccnc3)cc2)no1,0,0.0,
+CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccccn2)no1,0,0.0,
+CC(Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)N1c2ccccc2CC1C,0,0.0,
+CC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O,0,0.0,
+CC(Oc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1)C(=O)O,0,0.0,
+CC(Oc1cccc(Cl)c1)C(=O)Nc1cc(=O)n(C)c(=O)n1C,0,0.0,
+CC(Oc1ccccc1)C(=O)N1CCCc2ccccc21,0,0.0,
+CC(Oc1ccccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1,0,0.0,
+CC(Oc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+CC(Oc1ccccc1)C(=O)NCc1cccnc1,0,0.0,
+CC(Oc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1,0,0.0,
+CC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+CC(Oc1ccccc1)C(=O)Nc1cccnc1,0,0.0,
+CC(Oc1ccccc1)C(=O)OCC(=O)NC(=O)NCc1ccco1,0,0.0,
+CC(Oc1ccccc1)C(=O)OCn1nnc2ccccc2c1=O,0,0.0,
+CC(Oc1ccccc1Br)C(=O)N1CCc2ccccc21,0,0.0,
+CC(Oc1ccccc1Cl)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,0.0,
+CC(Oc1ccccc1F)C(=O)NCCN1CCCCC1,0,0.0,
+CC(SC1CCCC1)C(=O)NC(C)(C#N)C(C)C,0,0.0,
+CC(SC1CCCC1)C(=O)Nc1ccnn1C(C)C,0,0.0,
+CC(SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)O,0,0.0,
+CC(SCCc1ccccn1)C(=O)O,0,0.0,
+CC(SCc1ccccc1)C(=O)NC1CCCC1,0,0.0,
+CC(Sc1ccc(Br)cc1)C(N)=O,0,0.0,
+CC(Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+CC(Sc1ccc2ccccc2n1)C(=O)O,0,0.0,
+CC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)O,0,0.0,
+CC(Sc1cccc(C(F)(F)F)c1)C(=O)NC(N)=O,0,0.0,
+CC(Sc1cccc2cccc(C(=O)O)c12)C(=O)O,0,0.0,
+CC(Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CC(Sc1ccccc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1,0,0.0,
+CC(Sc1ccccn1)C(=O)Nc1ccccc1,0,0.0,
+CC(Sc1n[nH]c(=O)[nH]c1=O)C(=O)OCc1ccccc1,0,0.0,
+CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCC(C(N)=O)CC1,0,0.0,
+CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCC1,0,0.0,
+CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCCN1CCOCC1,0,0.0,
+CC(Sc1nc(N(C)C)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1,0,0.0,
+CC(Sc1nc(N)cc(=O)[nH]1)C(=O)NC1CCCCC1,0,0.0,
+CC(Sc1nc(N2CCCCC2)c2c(c1C#N)CCCC2)C(=O)O,0,0.0,
+CC(Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2)C(=O)Nc1ccccc1,0,0.0,
+CC(Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1,0,0.0,
+CC(Sc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1,0,0.0,
+CC(Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc2c(cc1Cl)OCO2)C(=O)O,0,0.0,
+CC(Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)c1ccccc1,0,0.0,
+CC(Sc1nc2ccccc2o1)C(=O)O,0,0.0,
+CC(Sc1ncc(C#N)c(N)n1)C(=O)Nc1ccccc1,0,0.0,
+CC(Sc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)C(=O)O,0,0.0,
+CC(Sc1nnc(-c2ccc(Cl)cc2)n1C)C(N)=O,0,0.0,
+CC(Sc1nnc(-c2ccc(O)cc2)o1)C(=O)Nc1cccc2ccccc12,0,0.0,
+CC(Sc1nnc(C2CCCCC2)n1N)C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CC(Sc1nnc(COc2ccc3ccccc3c2)n1C)C(=O)O,0,0.0,
+CC(Sc1nnc(Cn2c(=O)sc3ccccc32)n1C)c1ccccc1,0,0.0,
+CC(Sc1nnc(N)s1)c1ccccc1Cl,0,0.0,
+CC(Sc1nnc2ccccn12)C(=O)Nc1ccc(Cl)cn1,0,0.0,
+CC(Sc1nncn1C)C(=O)Nc1ccccc1-c1ccccc1,0,0.0,
+CC(Sc1nncn1C)C(=O)Nc1nnc(C(C)C)s1,0,0.0,
+CC(Sc1nncs1)C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1,0,0.0,
+CC(Sc1nnnn1C)C(=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+CC(Sc1nnnn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+CC(Sc1nnnn1C)C(=O)Nc1ccccc1-c1ccccc1,0,0.0,
+CC(Sc1sc(=S)sc1SC(C)C(=O)O)C(=O)O,0,0.0,
+CC(c1ccc(Br)cc1)N1CC23C=CC(O2)C(C(=O)O)C3C1=O,0,0.0,
+CC(c1ccc(F)cc1)n1cc(C(=O)NCc2ccc3c(c2)OCO3)nn1,0,0.0,
+CC(c1ccccc1)C(CC(=O)O)C(=O)NC1CCCCC1,0,0.0,
+CC(c1ccccc1)C1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,0,0.0,
+CC(c1ccccc1)C1C(C#N)=C(N)OC2=C1C(=O)CCC2,0,0.0,
+CC(c1ccccc1)C1C(C#N)=C(N)SC(N)=C1C#N,0,0.0,
+CC(c1ccccc1)C1CC(=O)N(CC(=O)O)C1=O,0,0.0,
+CC(c1ccccc1)C1CC(=O)N(Cc2ccco2)C1=O,0,0.0,
+CC(c1ccccc1)C1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O,0,0.0,
+CC(c1ccccc1)C1NC(C(=O)O)CS1,0,0.0,
+CC(c1ccccc1)N1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,0,0.0,
+CC(c1ccccc1)N1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O,0,0.0,
+CC(c1ccccc1)N1CC(C(=O)N2CCN(c3ccccc3)CC2)CC1=O,0,0.0,
+CC(c1ccccc1)N1CC(C(=O)NC2CCCC2)CC1=O,0,0.0,
+CC(c1ccccc1)N1CNc2c(c(=O)n(C)c(=O)n2C)C1,0,0.0,
+CC(c1ccccc1)n1c(-c2ccncc2)n[nH]c1=S,0,0.0,
+CC(c1ccccc1)n1c(NCCCn2ccnc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CC(c1ccccc1)n1cc(C(=O)NCC2CCCO2)nn1,0,0.0,
+CC(c1ccccc1)n1cc(C(=O)NCC2COc3ccccc3O2)nn1,0,0.0,
+CC(c1ccccc1)n1cc(C(=O)NCCCn2ccnc2)nn1,0,0.0,
+CC(c1ccccc1)n1cc(C(=O)NCCN2CCOCC2)nn1,0,0.0,
+CC(c1ccccc1)n1cc(C(=O)NCc2ccccn2)nn1,0,0.0,
+CC(c1ccccc1)n1cc(C(=O)NCc2cccnc2)nn1,0,0.0,
+CC(c1ccccc1)n1cc(C(=O)NCc2ccncc2)nn1,0,0.0,
+CC(c1ccccc1)n1cnc2ccccc21,0,0.0,
+CC(c1ccccc1)n1cncc1C(=O)N1CCCC1=O,0,0.0,
+CC(c1ccccc1F)n1cc(C(=O)NCCc2ccco2)nn1,0,0.0,
+CC(c1ccccc1F)n1cc(C(=O)NCc2ccncc2)nn1,0,0.0,
+CC(c1ccccc1F)n1cc(C(=O)Nc2ccc3nc[nH]c3c2)nn1,0,0.0,
+CC(c1cccnc1)N(C(=O)Nc1ccccc1)C1CCCCC1,0,0.0,
+CC(c1cccnc1)N(CCN(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+CC(c1ccco1)N(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1,0,0.0,
+CC(c1ccco1)N(C(=O)COc1ccc(Cl)cc1)c1ccccn1,0,0.0,
+CC(c1ccco1)N(C(=O)COc1ccc(Cl)cc1Cl)c1ccccn1,0,0.0,
+CC(c1ccco1)N(C(=O)CSc1ccc(Br)cc1)c1ccccn1,0,0.0,
+CC(c1ccco1)N(C(=O)Nc1ccc(Cl)cc1)c1ccccn1,0,0.0,
+CC(c1ccco1)N(C(=O)c1ccc(Cl)s1)c1ccccn1,0,0.0,
+CC(c1ccco1)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccn1,0,0.0,
+CC(c1ccco1)N(C(=O)c1cccs1)c1ccccn1,0,0.0,
+CC(c1ccco1)N(Cc1ccco1)C(=O)Nc1ccccc1,0,0.0,
+CC(c1nnc(SCC(=O)NC(=O)NCc2ccco2)n1-c1ccc(Cl)cc1)N(C)C,0,0.0,
+CC(c1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1Cc1ccccc1)N(C)C,0,0.0,
+CC(c1nnc(SCC(=O)Nc2sccc2C#N)n1-c1ccc(Cl)cc1)N(C)C,0,0.0,
+CC(c1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1-c1ccc(Cl)cc1)N(C)C,0,0.0,
+CC(c1nnc(SCn2nnc3ccccc3c2=O)n1-c1ccc(Cl)cc1)N(C)C,0,0.0,
+CC(c1nnc(Sc2nnnn2-c2ccccc2)n1-c1ccc(F)cc1)N(C)C,0,0.0,
+CC(c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cccnc1,0,0.0,
+CC(n1cnnn1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CC/C(=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O)N1CCCC1,0,0.0,
+CC/C(=C\C(=O)c1cccnc1)Nc1ccc(C)c(C)c1,0,0.0,
+CC/C(=C\C(=O)c1ccncc1)Nc1ccc(O)cc1,0,0.0,
+CC/C(=N\O)C(C)(C)/[N+]([O-])=C/c1ccc(Br)cc1,0,0.0,
+CC/C(=N\O)c1ccc(O)c(OC)c1,0,0.0,
+CC/C(=N\O)c1ccc(OC)c(OC)c1,0,0.0,
+CC/C(C)=C1\SC(N2CCN(C(C)=O)CC2)=NC1=O,0,0.0,
+CC/C(CC(C)(C)c1ccccc1)=N\O,0,0.0,
+CC/C(O)=C(/C#N)c1nnc2n1CCCCC2,0,0.0,
+CC1(C(=O)CSc2n[nH]c(-c3ccccc3Cl)n2)CCC(=O)O1,0,0.0,
+CC1(C(=O)CSc2nc3ccccc3[nH]2)CCC(=O)O1,0,0.0,
+CC1(C(=O)CSc2nc3ccccc3s2)CCC(=O)O1,0,0.0,
+CC1(C(=O)CSc2ncn[nH]2)CCC(=O)O1,0,0.0,
+CC1(C(=O)N(CC(=O)NC2CCCC2)C2CCCC2)CC(=O)N=C2C=CC=CN21,0,0.0,
+CC1(C(=O)N(c2ccccc2)C(C(=O)NC2CCCC2)c2ccccn2)CC(=O)N=C2C=CC=CN21,0,0.0,
+CC1(C(=O)NC2CCCC2)CCC(=O)N1CCC1=CCCCC1,0,0.0,
+CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccc2c(c1)OCO2,0,0.0,
+CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccccc1,0,0.0,
+CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1cccs1,0,0.0,
+CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccnc1,0,0.0,
+CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccs1,0,0.0,
+CC1(C(=O)NC2CCCCCC2)CCC(=O)N1Cc1ccc2c(c1)OCO2,0,0.0,
+CC1(C(=O)NC2CCCCCCC2)CCC(=O)N1CCN1CCOCC1,0,0.0,
+CC1(C(=O)NC2CCCCCCC2)CCC(=O)N1Cc1cccnc1,0,0.0,
+CC1(C(=O)NC2CCCCCCC2)CCC(=O)N1Cc1ccco1,0,0.0,
+CC1(C(=O)NCc2cccnc2)CCC(=O)N1CCc1ccccc1,0,0.0,
+CC1(C(=O)NCc2cccnc2)CCC(=O)N1Cc1cccs1,0,0.0,
+CC1(C(=O)Nc2ccccc2C(=O)O)Cc2ccccc2C(=O)O1,0,0.0,
+CC1(C(=O)Nc2nccs2)Cc2ccccc2C(=O)O1,0,0.0,
+CC1(C(=O)O)C2C=CC(C2)C1C(=O)NCc1ccccc1,0,0.0,
+CC1(C(=O)O)CC(C)(C(=O)O)CC(C)(C(=O)O)C1,0,0.0,
+CC1(C(=O)O)CCC(C(=O)N2CCOCC2)C1(C)C,0,0.0,
+CC1(C(=O)O)CCC(C(=O)NC2CCCCCC2)C1(C)C,0,0.0,
+CC1(C(=O)O)CCC(C(=O)NCCc2ccccc2)C1(C)C,0,0.0,
+CC1(C(=O)O)CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1(C)C,0,0.0,
+CC1(C(=O)O)CCC(C(=O)Nc2ccccc2)C1(C)C,0,0.0,
+CC1(C(=O)O)Sc2[nH]c(=O)sc2C2c3ccccc3OC(=O)C21,0,0.0,
+CC1(C)C(=O)C2(C(=O)NCc3ccccc3)CCC1C2,0,0.0,
+CC1(C)C(=O)C2(CCCC2)C(=O)OC1c1ccco1,0,0.0,
+CC1(C)C(=O)C2(CCCCC2)C(=O)OC1c1ccc(O)cc1,0,0.0,
+CC1(C)C(=O)C2(CCCCC2)C(=O)OC1c1cccs1,0,0.0,
+CC1(C)C(=O)NCCN1C(=O)CSc1nccc(-c2ccc(Br)cc2)n1,0,0.0,
+CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2,0,0.0,
+CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl,0,0.0,
+CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ncnc2ccccc12,0,0.0,
+CC1(C)C(=O)OC(C(=O)c2ccccc2)C(C)(C)C1=O,0,0.0,
+CC1(C)C(=O)OC(c2c(F)c(F)c(F)c(F)c2F)C2(CCCCC2)C1=O,0,0.0,
+CC1(C)C(=O)OC(c2cc(Br)ccc2O)C(C)(C)C1=O,0,0.0,
+CC1(C)C(=O)OC(c2cccs2)C(C)(C)C1=O,0,0.0,
+CC1(C)C(C#N)=C(N)OC2=C1C(=O)CCC2,0,0.0,
+CC1(C)C(C(=O)NCc2ccco2)C1(C)C,0,0.0,
+CC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+CC1(C)C(N(O)C(=O)Nc2ccccc2)N(c2cccc(Cl)c2)C(=O)N1O,0,0.0,
+CC1(C)C(c2ccc(Cl)cc2)=[N+]([O-])C2(CCCC/C2=N\O)N1O,0,0.0,
+CC1(C)C(c2ccccc2)=NC(c2ccc(F)cc2)N1O,0,0.0,
+CC1(C)C(c2ccccc2)=NC(c2ccccc2)N1O,0,0.0,
+CC1(C)C(c2ccccc2)=NC(c2cccnc2)=[N+]1[O-],0,0.0,
+CC1(C)C(c2ccccc2)=NC(c2cccnc2)N1O,0,0.0,
+CC1(C)C(c2ccccc2)=[N+]([O-])CN1O,0,0.0,
+CC1(C)C(c2ccccn2)=[N+]([O-])C(C)(C)N1O,0,0.0,
+CC1(C)C(c2cccs2)=NC(c2ccccc2)N1O,0,0.0,
+CC1(C)C(c2cccs2)=[N+]([O-])C2(CCCCC/C2=N\O)N1O,0,0.0,
+CC1(C)C/C(=C(/C#N)C(N)=O)CCO1,0,0.0,
+CC1(C)C/C(=N\O)c2cc3c(nc2C1)CCCC3,0,0.0,
+CC1(C)C2CC=C(/C=N/n3cnnc3)C1C2,0,0.0,
+CC1(C)C2CC=C(CN3CCC(O)CC3)C1C2,0,0.0,
+CC1(C)C2CC=C(CN3CCOCC3)C1C2,0,0.0,
+CC1(C)C2CCC(C2)C1(C)NC(=O)CN1CCOCC1,0,0.0,
+CC1(C)C2CCC1(C)C(NC(=O)CCN1CCCCC1)C2,0,0.0,
+CC1(C)C2CCC1(C)C(NC1=NCCC1)C2,0,0.0,
+CC1(C)C2CCC1(C)C(OC(=O)CC(=O)O)C2,0,0.0,
+CC1(C)C2CCC1(C)C(OC(=O)CCn1ccnc1)C2,0,0.0,
+CC1(C)C2CCC1(C)C(OC(=O)CSc1nc(N)cc(=O)[nH]1)C2,0,0.0,
+CC1(C)C2CCC1(CS(=O)(=O)N1CCCc3ccccc31)C(=O)C2,0,0.0,
+CC1(C)C2CCC1(CS(=O)(=O)NCc1ccc(C(=O)O)cc1)C(=O)C2,0,0.0,
+CC1(C)C2CCC13CS(=O)(=O)N[C@@H]3C2,0,0.0,
+CC1(C)C=C(c2ccc(O)cc2)CC(C)(C)N1,0,0.0,
+CC1(C)C=Cc2c(c3ccccc3[nH]c2=O)O1,0,0.0,
+CC1(C)CC(=NO)CC(C)(C)N1,0,0.0,
+CC1(C)CC(=O)C(/C=N/c2ccccn2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(/C=N/c2ncccc2C(=O)O)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(/C=N/n2cnc3ccccc3c2=O)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(=CN2CCN(C(=O)c3ccco3)CC2)C(=O)C1,0,0.0,
+CC1(C)CC(=O)C(C#N)=C(NCCCO)C1,0,0.0,
+CC1(C)CC(=O)C(C(=O)CCCCC(=O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1,0,0.0,
+CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2cccc(O)c2)C(=O)C1,0,0.0,
+CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2cccnc2)C(=O)C1,0,0.0,
+CC1(C)CC(=O)C(C(c2cccnc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1,0,0.0,
+CC1(C)CC(=O)C(C(c2ccco2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1,0,0.0,
+CC1(C)CC(=O)C(C(c2ccncc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1,0,0.0,
+CC1(C)CC(=O)C(C2(O)C(=O)N(Cc3ccccc3)c3ccccc32)CO1,0,0.0,
+CC1(C)CC(=O)C(C2(O)C(=O)NC(=O)NC2=O)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C2=NC(C)(C)Cc3ccccc32)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=N)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NC(CCC(N)=O)C(=O)O)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NC2CC(C)(C)NC(C)(C)C2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NC2CCCCC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCC(N)=O)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCC(O)c2ccccc2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCC2CCCO2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCC2CCN(C(=O)Nc3ccccc3)CC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCC2CCNCC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCC2=CCCCC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCCN2CCCC2=O)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCCN2CCOCC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCCO)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCCn2ccnc2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCN2CCN(C(=O)CC3CCCC3)CC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCN2CCN(C(=O)Cc3ccccc3)CC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCN2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCN2CCN(C(=O)c3ccccc3)CC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCN2CCN(CCCCS(=O)(=O)O)CC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCN2CCN(CCc3ccccc3)CC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCN2CCNC2=O)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCN2CCOCC2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCO)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCc2ccc(O)cc2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCc2ccc(S(N)(=O)=O)cc2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCc2ccccc2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCCc2ccccn2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCc2ccc3c(c2)OCO3)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCc2ccccn2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=NCc2cccnc2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=Nc2ccc(Cl)cn2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=Nc2ccc(O)cc2)=C(O)C1,1,100.0,0.0
+CC1(C)CC(=O)C(C=Nc2ccc3[nH]ncc3c2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=Nc2ccc3c(c2)OCO3)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=Nc2ccc3cn[nH]c3c2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=Nc2ccccc2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=Nc2ccccc2C(=O)O)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=Nc2cccnc2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(C=Nc2ccncc2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(CC(=O)NC(=O)NCc2ccccc2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)=C(O)C1,0,0.0,
+CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1,0,0.0,
+CC1(C)CC(=O)C(CCC(=O)c2ccccc2)C(C)(C)N1,0,0.0,
+CC1(C)CC(=O)C(CCCN2C(=O)c3ccccc3C2=O)C(=O)C1,0,0.0,
+CC1(C)CC(=O)C(Sc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)C(=O)C1,0,0.0,
+CC1(C)CC(=O)C(Sc2nnc(-c3ccc(O)cc3)n2CC2CCCO2)C(=O)C1,0,0.0,
+CC1(C)CC(=O)C2(CC3=C(CC(C)(C)CC3=O)O2)C(=O)C1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(CC1CCCO1)C(=O)C2(NC(=O)c1cccnc1)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(CC1CCCO1)C(=O)C2(O)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(CCN1CCOCC1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(Cl)c1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)C2(NC(=O)C1CC1)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)C2(NC(=O)C1CCCCC1)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)C2(NC(=O)c1cccnc1)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)C2(O)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)NC2(C(F)(F)F)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)CC2c1cccnc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(c1cccc(O)c1)C1=C(C2)C(=O)CC(C)(C)C1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)C2c1cccnc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(N)=C(C#N)C2c1cccs1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N1CCCCC1CC2=O,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1C2c1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(=O)CC2C(=O)NCc1ccc(F)cc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cc(F)ccc1F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cc2c(cc1Br)OCO2,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccc(F)cc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccc(N(CCC#N)CCC#N)cc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cccc(F)c1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccccc1F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCC1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCCC1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1)=C(C#N)C21CCCCC1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1)=C(C#N)C2c1ccco1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NCN(CCCN1CCOCC1)C2,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NCN(Cc1ccc3c(c1)OCO3)C2,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NCN(Cc1ccccc1)C2,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1C2c1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N=C2,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc2c(c1)OCO2,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1nc2ccccc2[nH]1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Nc1nc(SCCN3CCOCC3)[nH]c(=O)c1C2c1cccs1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Nc1ncnn1C2c1ccccn1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(/N=C/N1CCOCC1)=C(C#N)C2c1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(=O)C2(NC(=O)c1cccs1)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)N(CN2CCOCC2)c2ccccc21,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)N2CCCc3cccc1c32,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCC2(CC1)OCCO2,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCN(C(=O)OCc2ccccc2)CC1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCN(Cc2ccccc2)CC1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2C#Cc1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2C1C=CCCC1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2C1CC=CCC1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2CCc1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2Cc1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccc(OC(=O)N2CCOCC2)cc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cccc(OC(=O)c2ccco2)c1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccsc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(CC(N)=O)c2ccccc21,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(c1cccs1)C(C#N)=C2N,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(c1ccncc1)C(C#N)=C2N,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1O,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Oc1nc3ccccc3cc1C2C(C#N)C#N,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Oc1ncn(CCCO)c(=N)c1C2c1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Oc1ncn(CCCn3ccnc3)c(=N)c1C2c1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Oc1ncn(CCO)c(=N)c1C2c1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Oc1ncn(Cc3ccco3)c(=N)c1C2c1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccnc4)nc3c1C2c1ccccc1,0,0.0,
+CC1(C)CC(=O)C=C(N2CCN(C3=CC(=O)CC(C)(C)C3)CC2)C1,0,0.0,
+CC1(C)CC(=O)C=C(N2CCNCC2)C1,0,0.0,
+CC1(C)CC(=O)C=C(N=CC2=C(O)CC(C)(C)CC2=O)C1,0,0.0,
+CC1(C)CC(=O)C=C(NC2CC(C)(C)NC(C)(C)C2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NC2CCCCCC2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NC2CCS(=O)(=O)C2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCC(=O)O)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCC2CCCO2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCCCN2CCCC2=O)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCCCNC2CCCCC2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Nc3ccccc3)CC2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCCO)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCCc2ccc(S(N)(=O)=O)cc2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCc2cccnc2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCc2ccco2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCc2cccs2)C1,0,0.0,
+CC1(C)CC(=O)C=C(NCc2ccncc2)C1,0,0.0,
+CC1(C)CC(=O)C=C(Nc2cc(-c3ccccc3)[nH]n2)C1,0,0.0,
+CC1(C)CC(=O)C=C(Nc2ccc(Br)cn2)C1,0,0.0,
+CC1(C)CC(=O)C=C(Nc2ccc(C(=O)O)cc2)C1,0,0.0,
+CC1(C)CC(=O)C=C(Nc2ccc(F)cc2)C1,0,0.0,
+CC1(C)CC(=O)C=C(Nc2ccc(F)cc2F)C1,0,0.0,
+CC1(C)CC(=O)C=C(Nc2ccc(OCC(F)(F)C(F)F)cc2)C1,0,0.0,
+CC1(C)CC(=O)C=C(Nc2ccc(S(N)(=O)=O)cc2)C1,0,0.0,
+CC1(C)CC(=O)C=C(Nc2ccc3c(c2)OCCO3)C1,0,0.0,
+CC1(C)CC(=O)C=C(Nc2cccc(O)c2)C1,0,0.0,
+CC1(C)CC(=O)C=C(Nc2ccccc2F)C1,0,0.0,
+CC1(C)CC(=O)C=C(Nc2ccccc2NC(=O)c2cnccn2)C1,1,100.0,
+CC1(C)CC(=O)C=C(Nc2ccccc2O)C1,0,0.0,
+CC1(C)CC(=O)C=C(Nc2ccccn2)C1,0,0.0,
+CC1(C)CC(=O)CC(=NCC(=O)O)C1,1,100.0,0.0
+CC1(C)CC(=O)CC(=Nc2ccc(C(=O)O)cc2)C1,0,0.0,
+CC1(C)CC(=O)CC(=Nc2ccc3[nH]c(=O)[nH]c3c2)C1,0,0.0,
+CC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccccn1,0,0.0,
+CC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccncc1,0,0.0,
+CC1(C)CC(=O)CC(C2(O)C(=O)N(Cc3ccccc3)c3ccccc32)O1,0,0.0,
+CC1(C)CC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)c2ccccc2S1(=O)=O,0,0.0,
+CC1(C)CC(=O)N(CC(=O)NC2CCCC2)c2ccccc2S1(=O)=O,0,0.0,
+CC1(C)CC(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2S1(=O)=O,0,0.0,
+CC1(C)CC(=O)N(CC(=O)NCc2ccccc2)c2ccccc2S1(=O)=O,0,0.0,
+CC1(C)CC(=O)N(CC(=O)O)c2ccccc2S1,0,0.0,
+CC1(C)CC(=O)N(CC(=O)O)c2ccccc2S1(=O)=O,0,0.0,
+CC1(C)CC(=O)N(c2ccccc2)C1(C)O,0,0.0,
+CC1(C)CC(=O)NC=C(c2ccccc2)C1,0,0.0,
+CC1(C)CC(=O)c2c(-c3cccnc3)n[nH]c2C1,0,0.0,
+CC1(C)CC(=O)c2c(-c3cccs3)n[nH]c2C1,0,0.0,
+CC1(C)CC(=O)c2c(Cc3ccccc3)n[nH]c2C1,0,0.0,
+CC1(C)CC(=O)c2c(O)cc(O)cc2O1,0,0.0,
+CC1(C)CC(=O)c2c(nc3[nH]c(=O)[nH]c(=O)c3c2-c2ccccc2)C1,0,0.0,
+CC1(C)CC(=O)c2c(nc3ccccc3c2N)C1,0,0.0,
+CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2N)C1,1,100.0,0.0
+CC1(C)CC(=O)c2c(noc2-c2ccccc2)C1,0,0.0,
+CC1(C)CC(=O)c2cc(C(=O)N3CCCC(C)(C)C3)c(=O)n(-c3ccccc3)c2C1,0,0.0,
+CC1(C)CC(=O)c2cc(C(=O)N3CCCCC3)c(=O)n(-c3ccc(Cl)cc3)c2C1,0,0.0,
+CC1(C)CC(=O)c2cc(C(=O)N3CCN(CCO)CC3)c(=O)n(-c3ccc(Cl)cc3)c2C1,0,0.0,
+CC1(C)CC(=O)c2cc(C(=O)NC3CCSC3=O)c(=O)n(-c3ccccc3)c2C1,0,0.0,
+CC1(C)CC(=O)c2cc(C(=O)NCc3ccco3)c(=O)n(-c3ccc(Cl)cc3)c2C1,0,0.0,
+CC1(C)CC(=O)c2cc(C(=O)NCc3ccco3)c(=O)n(-c3ccccc3)c2C1,0,0.0,
+CC1(C)CC(=O)c2cc(C(=O)Nn3cnnc3)c(=O)n(-c3ccccc3)c2C1,0,0.0,
+CC1(C)CC(=O)c2cc(OCC(=O)N3CCN(c4ccccc4F)CC3)ccc2O1,0,0.0,
+CC1(C)CC(=O)c2cc(OCC(=O)NCC3CCCO3)ccc2O1,0,0.0,
+CC1(C)CC(=O)c2cc(OCC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)ccc2O1,0,0.0,
+CC1(C)CC(=O)c2cc(OCC(=O)NCCCN3CCN(c4ccccc4F)CC3)ccc2O1,0,0.0,
+CC1(C)CC(=O)c2cc(OCC(=O)NCCN3CCCc4ccccc43)ccc2O1,0,0.0,
+CC1(C)CC(=O)c2cc(OCC(=O)NCc3cccnc3)ccc2O1,0,0.0,
+CC1(C)CC(=O)c2cc(OCC(=O)O)ccc2O1,0,0.0,
+CC1(C)CC(=O)c2cn3c(nc2C1)nc1ccccc13,0,0.0,
+CC1(C)CC(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2cnc(N3CCc4ccccc4C3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2cnc(NC(=O)C3CCCC3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2cnc(NC(=O)CCc3ccccc3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2cnc(NC(=O)CSc3nc4ccccc4o3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2cnc(NC(=O)Cc3ccc(Cl)cc3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2cnc(NC(=O)c3ccco3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2cnc(NCC3CCCO3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2cnc(NCc3ccco3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2cnn(-c3nc4ccccc4[nH]3)c2C1,0,0.0,
+CC1(C)CC(=O)c2sc(N)nc2C1,0,0.0,
+CC1(C)CC(=O)c2sc(NC(=O)C3CC3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2sc(NC(=O)CN3C(=O)CCC3=O)nc2C1,0,0.0,
+CC1(C)CC(=O)c2sc(NC(=O)CN3CCCCC3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2sc(NC(=O)CN3CCOCC3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2sc(NC(=O)c3ccco3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2sc(NS(=O)(=O)Cc3ccccc3)nc2C1,0,0.0,
+CC1(C)CC(=O)c2sc(NS(C)(=O)=O)nc2C1,0,0.0,
+CC1(C)CC(C#N)(N2CCOCC2)CCO1,0,0.0,
+CC1(C)CC(C(=O)Nc2nccs2)CCO1,0,0.0,
+CC1(C)CC(C(CC(=O)O)c2ccccc2)CCO1,0,0.0,
+CC1(C)CC(C2N3CC4(C)CN2CC(C)(C3)C4=O)CCO1,0,0.0,
+CC1(C)CC(CC(=O)Nc2ccccn2)C(=O)O1,0,0.0,
+CC1(C)CC(CC(=O)O)(c2ccccc2)CCO1,0,0.0,
+CC1(C)CC(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1,0,0.0,
+CC1(C)CC(CCC(=O)Nc2ccccc2Cl)C(=O)O1,0,0.0,
+CC1(C)CC(CCNC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)N1,0,0.0,
+CC1(C)CC(CCNC(=O)c2ccco2)CC(C)(C)N1,0,0.0,
+CC1(C)CC(N(Cc2ccco2)C(=O)Cc2ccccc2)CCO1,0,0.0,
+CC1(C)CC(N(Cc2cccs2)C(=O)c2ccco2)CCO1,0,0.0,
+CC1(C)CC(N2CCC(=O)N(C3CC(C)(C)NC(C)(C)C3)C2)CC(C)(C)N1,1,100.0,0.0
+CC1(C)CC(N2CCN(c3ccccc3)CC2)=CC(=[N+]2CCCC2)C1,0,0.0,
+CC1(C)CC(N2CN(C3CCCCC3)CC2=O)CC(C)(C)N1,0,0.0,
+CC1(C)CC(NC(=O)C23CCC(C)(/C(=N/O)C2)C3(C)C)CC(C)(C)N1,0,0.0,
+CC1(C)CC(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)CC(C)(C)N1,0,0.0,
+CC1(C)CC(NC(=O)C2CCCCC2C(=O)O)CC(C)(C)N1,0,0.0,
+CC1(C)CC(NC(=O)CC2CCCCC2)CC(C)(C)N1,0,0.0,
+CC1(C)CC(NC(=O)CCC2CCCC2)CC(C)(C)N1,0,0.0,
+CC1(C)CC(NC(=O)CCc2ccccc2)CC(C)(C)N1,0,0.0,
+CC1(C)CC(NC(=O)c2ccccc2Cl)CC(C)(C)N1,0,0.0,
+CC1(C)CC(NC(=O)c2coc(=O)c(Br)c2)CC(C)(C)N1,0,0.0,
+CC1(C)CC(NCc2cccnc2)CC(C)(C)N1,0,0.0,
+CC1(C)CC(NS(=O)(=O)c2ccccc2)CC(C)(C)N1,0,0.0,
+CC1(C)CC(O)(CCNCc2ccc3c(c2)OCO3)CCO1,0,0.0,
+CC1(C)CC(O)C(C)(C)N1O,0,0.0,
+CC1(C)CC(O)C(CCC(O)c2ccccc2)C(C)(C)N1,0,0.0,
+CC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1O,0,0.0,
+CC1(C)CC(c2csc(N)n2)CCO1,0,0.0,
+CC1(C)CC(n2[nH]c(=O)c3c2NC(=O)CSC3c2ccc(F)cc2)CCO1,0,0.0,
+CC1(C)CC(n2[nH]c(=O)c3c2NC(=O)CSC3c2ccccc2)CCO1,0,0.0,
+CC1(C)CC(n2c(=S)[nH]c3ccccc3c2=O)CCO1,0,0.0,
+CC1(C)CC(n2c(NCCO)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1,0,0.0,
+CC1(C)CC2(CC(C)(C)N1)OC(=O)N1CCc3ccccc3C12C,0,0.0,
+CC1(C)CC2(CC(C)(C)NC(=O)N2)NC(=O)N1,0,0.0,
+CC1(C)CC2(CCCN3C(=O)CSC32)CCS1,0,0.0,
+CC1(C)CC2(CCO1)CNC(=O)O2,0,0.0,
+CC1(C)CC2(CCO1)N1CC3(C)CN2CC(C)(C1)C3O,0,0.0,
+CC1(C)CC2(CCO1)NCCN1C(=O)CSC12,0,0.0,
+CC1(C)CC2(CCO1)OC(=O)CC2C(=O)NCCc1ccccc1,0,0.0,
+CC1(C)CC2(CCO1)OC(=O)CC2C(=O)NCc1ccccc1,0,0.0,
+CC1(C)CC2CC(C)(CN2C(=O)C23CCC(C)(C(=O)O2)C3(C)C)C1,0,0.0,
+CC1(C)CC2CC(C)(CN2C(=O)CCCN2C(=O)c3ccccc3C2=O)C1,0,0.0,
+CC1(C)CC2CC(C)(CN2C(=O)CN2C(=O)c3ccccc3C2=O)C1,0,0.0,
+CC1(C)CC2CC(C)(CN2C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)C1,0,0.0,
+CC1(C)CC2CC(C)(CN2C(=O)COC(=O)c2ccc(Cl)cc2N)C1,0,0.0,
+CC1(C)CC2CC(C)(CN2C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)C1,0,0.0,
+CC1(C)CC2CC(C)(CN2C(=O)c2cc(-c3ccccc3O)on2)C1,0,0.0,
+CC1(C)CC2CC(C)(CN2CC(=O)C(C#N)c2ccccc2)C1,0,0.0,
+CC1(C)CC2CC(C)(CN2S(=O)(=O)c2ccc(N)cc2)C1,0,0.0,
+CC1(C)CC2CC(C)(CN2c2ncnc3ccccc23)C1,1,100.0,0.0
+CC1(C)CCCC2=C1CC1C(=O)N(O)C(=O)C1C2,0,0.0,
+CC1(C)CCCC2=C1CC1C(=O)N(c3ccccc3)C(=O)C1C2,0,0.0,
+CC1(C)CCCN(C(=O)c2coc(=O)c(Br)c2)C1,0,0.0,
+CC1(C)CCN(Cc2ccccc2)C1CC#N,0,0.0,
+CC1(C)CN(O)CCN1O,0,0.0,
+CC1(C)CN=C(N2CCN(C3=NCC(C)(C)S3)CC2)S1,1,100.0,
+CC1(C)CN=C(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)S1,1,100.0,1.0
+CC1(C)CN=C(NC2CCCCC2)S1,1,100.0,1.0
+CC1(C)CN=C(NCc2ccccc2Cl)S1,1,100.0,1.0
+CC1(C)CN=C(Nc2ccc(F)c(F)c2)S1,0,0.0,
+CC1(C)CN=C(Nc2ccccc2C(F)(F)F)S1,0,0.0,
+CC1(C)CN=C(Nc2nc3ccccc3s2)S1,0,0.0,
+CC1(C)CNC(=O)C=C(c2ccccc2)C1,0,0.0,
+CC1(C)CNC(=O)CC(C)(C)N1O,0,0.0,
+CC1(C)CNC(=O)c2sc(N3CCCCC3)nc2C1,0,0.0,
+CC1(C)CNC(=O)c2sc(N3CCOCC3)nc2C1,0,0.0,
+CC1(C)CNC(=O)c2sc(NC(=O)CN3CCOCC3)nc2C1,0,0.0,
+CC1(C)COC(Nc2ccc(Cl)cc2)=N1,0,0.0,
+CC1(C)COCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1,0,0.0,
+CC1(C)CSC(=S)N1S(=O)(=O)c1ccccc1,0,0.0,
+CC1(C)CSC(Nc2ccc(F)c(Cl)c2)=N1,0,0.0,
+CC1(C)Cc2[nH]c(=O)c(C#N)cc2CS1,0,0.0,
+CC1(C)Cc2[nH]c(=S)c(C#N)cc2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(N)n(-c3ccccc3)c(=O)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(N)sc(=S)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(N)sc(=S)c2CS1,0,0.0,
+CC1(C)Cc2c(C#N)c(N3CCCC3)nc(-c3ccco3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(N3CCN(C(=O)c4ccccc4)CC3)nc(-c3ccco3)c2CS1,0,0.0,
+CC1(C)Cc2c(C#N)c(N3CCN(C(=O)c4ccco4)CC3)nc(-c3ccco3)c2CS1,0,0.0,
+CC1(C)Cc2c(C#N)c(N3CCN(C(=O)c4ccco4)CC3)nc(Cc3ccccc3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(-c3ccccc3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(Cc3ccccc3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(NC3CCCCC3)nc(-c3ccco3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(NCC3CCCO3)nc(-c3ccco3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(NCCCO)nc(-c3ccccc3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(NCCN3CCOCC3)nc(-c3ccco3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(NCCc3ccccc3)nc(-c3ccco3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(NCc3ccco3)nc(-c3ccco3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccco3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccoc3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(-c3ccoc3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(SCC(=O)c3ccccc3)nc(N3CCCC3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(SCC(=O)c3ccccc3)nc(N3CCOCC3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(SCC(=O)c3ccccc3)nc(N3CCOCC3)c2CS1,0,0.0,
+CC1(C)Cc2c(C#N)c(SCCC#N)nc(N3CCOCC3)c2CS1,0,0.0,
+CC1(C)Cc2c(C#N)c(SCCOc3ccccc3)nc(N3CCOCC3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(SCc3ccccc3)nc(N3CCOCC3)c2CO1,0,0.0,
+CC1(C)Cc2c(C#N)c(SCc3nc4ccccc4[nH]3)nc(N3CCOCC3)c2CO1,0,0.0,
+CC1(C)Cc2c(c(-c3ccccc3)[nH]c(=O)c2C#N)CO1,0,0.0,
+CC1(C)Cc2c(c(-c3ccccc3)[nH]c(=O)c2C#N)CS1,0,0.0,
+CC1(C)Cc2c(c(-c3ccccc3)nc(N3CCCC3)c2C(N)=O)CO1,0,0.0,
+CC1(C)Cc2c(c(-c3ccccc3)nc3[nH][nH]c(=O)c23)CO1,0,0.0,
+CC1(C)Cc2c(c(-c3ccccc3Cl)[nH]c(=O)c2C#N)CO1,0,0.0,
+CC1(C)Cc2c(c(-c3ccco3)[nH]c(=O)c2C#N)CO1,0,0.0,
+CC1(C)Cc2c(c(-c3ccco3)[nH]c(=O)c2C#N)CS1,0,0.0,
+CC1(C)Cc2c(c(-c3ccco3)nc3n[nH]c(N)c23)CO1,0,0.0,
+CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCCN2CCOCC2)CO1,0,0.0,
+CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCN2CCOCC2)CO1,0,0.0,
+CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCO)CO1,0,0.0,
+CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCOCCO)CO1,0,0.0,
+CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCN(CCO)CC5)ncnc4c23)CO1,0,0.0,
+CC1(C)Cc2c(c(N3CCCCC3)[nH]c(=S)c2C#N)CS1,0,0.0,
+CC1(C)Cc2c(c(N3CCOCC3)nc3sc(-c4ccc(C(=O)O)o4)c(N)c23)CO1,0,0.0,
+CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C#N)c(N)c23)CS1,0,0.0,
+CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)N4CCCCC4)c(N)c23)CO1,0,0.0,
+CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(=O)[nH]cnc4c23)CS1,0,0.0,
+CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCc5ccco5)nnnc4c23)CS1,0,0.0,
+CC1(C)Cc2c(c(N3CCOCC3)nc3snc(Br)c23)CO1,0,0.0,
+CC1(C)Cc2c(c(N3CCOCC3)nc3snc(N)c23)CO1,0,0.0,
+CC1(C)Cc2c(oc3ncn4ncnc4c23)CO1,0,0.0,
+CC1(C)Cc2c(sc(/N=C/N3CCOCC3)c2C#N)C(C)(C)N1,0,0.0,
+CC1(C)Cc2c(sc(NC(=O)c3ccc(Br)o3)c2C#N)CO1,0,0.0,
+CC1(C)Cc2c(sc(NC(=O)c3ccco3)c2C#N)C(C)(C)N1,0,0.0,
+CC1(C)Cc2c(sc(NC(=O)c3ccco3)c2C#N)CO1,0,0.0,
+CC1(C)Cc2c(sc3[nH]c(=S)n(Cc4ccco4)c(=O)c23)CO1,0,0.0,
+CC1(C)Cc2c(sc3c2C(=O)N(c2ccccc2)C2=NCCCN23)CO1,0,0.0,
+CC1(C)Cc2c(sc3c2C(=O)NC(c2cccnc2)N3)CO1,0,0.0,
+CC1(C)Cc2c(sc3c2C2=NCCN2C=N3)CO1,0,0.0,
+CC1(C)Cc2c(sc3c2C2=NCCN2C=N3)CS1,1,100.0,1.0
+CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)Nc2ccc(Cl)cc2)CO1,0,0.0,
+CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)Nc2cccc(Cl)c2)CO1,0,0.0,
+CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)Nc2ccccc2)CO1,0,0.0,
+CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccc(Cl)cc2)CO1,0,0.0,
+CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccc(F)cc2)CO1,0,0.0,
+CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccccc2)CO1,0,0.0,
+CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)NCc4ccco4)n32)CO1,0,0.0,
+CC1(C)Cc2c(sc3c4nnnn4c4nnnn4c23)CO1,0,0.0,
+CC1(C)Cc2c(sc3nc(-c4cc5ccccc5o4)n(N)c(=O)c23)CO1,0,0.0,
+CC1(C)Cc2c(sc3nc(-c4cccs4)n(N)c(=O)c23)CO1,1,100.0,
+CC1(C)Cc2c(sc3nc(NCCN4CCOCC4)n4ncnc4c23)CO1,0,0.0,
+CC1(C)Cc2c(sc3nc(SCC#N)n(C4CCCCC4)c(=O)c23)CO1,0,0.0,
+CC1(C)Cc2c(sc3nc(SCC(=O)N4CCOCC4)nc(N)c23)CO1,0,0.0,
+CC1(C)Cc2c(sc3nc(SCC(=O)NCc4ccco4)n(-c4ccccc4)c(=O)c23)CS1,0,0.0,
+CC1(C)Cc2c(sc3nc(SCC(=O)O)[nH]c(=O)c23)CO1,0,0.0,
+CC1(C)Cc2c(sc3nc4n(c(=N)c23)CCC4)CO1,0,0.0,
+CC1(C)Cc2c(sc3nc4n(c(=N)c23)CCCCC4)CO1,1,100.0,0.0
+CC1(C)Cc2c(sc3nc4n(c(=O)c23)CCC4)CO1,0,0.0,
+CC1(C)Cc2c(sc3ncn4nc(-c5ccco5)nc4c23)CO1,0,0.0,
+CC1(C)Cc2c(sc3ncn4nc(CCC(=O)O)c(=O)nc4c23)CO1,0,0.0,
+CC1(C)Cc2c(sc3ncn4nnnc4c23)CO1,0,0.0,
+CC1(C)Cc2c(sc3ncnc(N)c23)CO1,0,0.0,
+CC1(C)Cc2c(sc3nn[nH]c(=O)c23)CO1,0,0.0,
+CC1(C)Cc2cccc(OCC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2O1,0,0.0,
+CC1(C)Cc2cccc(OCC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)c2O1,0,0.0,
+CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3N3CCOCC3)c2O1,0,0.0,
+CC1(C)Cc2cccc(OCC(=O)Nc3cccnc3)c2O1,0,0.0,
+CC1(C)Cc2cccc(OCC(=O)Nc3nccs3)c2O1,0,0.0,
+CC1(C)Cc2cccc(OCC(=O)O)c2O1,0,0.0,
+CC1(C)Cc2cccc(OCC(O)CN3CCN(c4ccccn4)CC3)c2O1,0,0.0,
+CC1(C)Cc2cccc(OCC(O)CNCc3ccccn3)c2O1,0,0.0,
+CC1(C)Cc2ccccc2-c2c1c(=O)n(-c1ccccc1)c1nnnn21,0,0.0,
+CC1(C)Cc2ccccc2-c2n[nH]c(=S)n21,0,0.0,
+CC1(C)Cc2ccccc2-c2nc(CN3CCOCC3)[nH]c(=O)c21,0,0.0,
+CC1(C)Cc2ccccc2-c2nc(NCCCO)n(-c3ccccc3)c(=O)c21,0,0.0,
+CC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c21,0,0.0,
+CC1(C)Cc2ccccc2-c2nc3ccccc3c(=O)n21,0,0.0,
+CC1(C)Cc2ccccc2-c2nnc(-c3ccc(O)cc3)n21,0,0.0,
+CC1(C)Cc2ccccc2-c2nnc(-c3cccc(O)c3)n21,0,0.0,
+CC1(C)Cc2ccccc2-c2nnc(-c3ccccc3)n21,0,0.0,
+CC1(C)Cc2ccccc2-c2nnc(-c3ccccn3)n21,0,0.0,
+CC1(C)Cc2ccccc2-c2nnc(-c3cccnc3)n21,0,0.0,
+CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n21,0,0.0,
+CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N3CCc4ccccc43)n21,0,0.0,
+CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n21,0,0.0,
+CC1(C)Cc2ccccc2-c2nnnn21,0,0.0,
+CC1(C)Cc2ccccc2C(/C(=N/O)C(N)=O)=N1,0,0.0,
+CC1(C)Cc2ccccc2C(=NCCCC(=O)O)N1,0,0.0,
+CC1(C)Cc2ccccc2C(=O)N1,0,0.0,
+CC1(C)Cc2ccccc2C(N)=C1C#N,0,0.0,
+CC1(C)Cc2ccccc2C(Nn2cnnc2)=N1,0,0.0,
+CC1(C)Cc2ccccc2C2CC(O)C(=O)N21,0,0.0,
+CC1(C)Cc2nc(-c3ccccc3)n3cnnc3c2CO1,0,0.0,
+CC1(C)Cc2nc(N)c(=O)sc2C1,0,0.0,
+CC1(C)Cc2nc(N)c(C(=O)NCCO)cc2CO1,1,100.0,
+CC1(C)Cc2nc(N3CCOCC3)c(C#N)cc2CO1,0,0.0,
+CC1(C)Cc2nc(NCCCO)c(C#N)cc2CO1,0,0.0,
+CC1(C)Cc2nc(NCCN3CCOCC3)c(C#N)cc2CO1,0,0.0,
+CC1(C)Cc2nc3n[nH]c(N)c3cc2CO1,0,0.0,
+CC1(C)Cc2nc3oc4c(N(CCO)Cc5ccccc5)ncnc4c3cc2CO1,0,0.0,
+CC1(C)Cc2nc3sc4c(=O)[nH]cnc4c3cc2CS1,0,0.0,
+CC1(C)Cc2nc3sc4c(=O)n(CC(=O)NCc5ccco5)cnc4c3cc2CO1,0,0.0,
+CC1(C)Cc2nc3sc4c(N(CCO)CCO)ncnc4c3cc2CO1,0,0.0,
+CC1(C)Cc2nc3sc4c(SCC(=O)NCc5ccco5)ncnc4c3cc2CO1,0,0.0,
+CC1(C)Cc2noc(N)c2C(C)(C)N1O,0,0.0,
+CC1(C)Cc2noc(N)c2C(C)(C)N1OC(=O)c1ccccc1,0,0.0,
+CC1(C)Cc2noc(N)c2C(C)(C)N1OC(=O)c1ccco1,0,0.0,
+CC1(C)Cc2noc(N)c2C(C)(C)N1OC(=O)c1cccs1,0,0.0,
+CC1(C)Cc2noc(N)c2C(C)(C)N1OC(=O)c1scc2c1OCCO2,0,0.0,
+CC1(C)Cn2c(nnc2-c2cccc(O)c2)S1,0,0.0,
+CC1(C)Cn2c(nnc2-c2ccccc2)S1,0,0.0,
+CC1(C)N(O)C2CCCCC2N1O,0,0.0,
+CC1(C)N(O)CC(c2cccs2)=[N+]1[O-],0,0.0,
+CC1(C)N([O-])C(c2ccccc2)=C[N+](=O)C1(C)C,0,0.0,
+CC1(C)N([O-])C(c2cccs2)=C[N+]1=O,0,0.0,
+CC1(C)N=C(/C=N/O)C=[N+]1[O-],0,0.0,
+CC1(C)N=C(/C=N/O)CN1O,0,0.0,
+CC1(C)N=C(C(=O)c2ccccc2)N(O)C1(C)O,0,0.0,
+CC1(C)N=C(N)N=C(N)N1c1ccc(F)cc1F,0,0.0,
+CC1(C)N=C(c2ccc(Cl)cc2)C(=O)N1,0,0.0,
+CC1(C)N=C(c2ccc(Cl)cc2Cl)C(=O)N1,0,0.0,
+CC1(C)N=C(c2cccc(F)c2)C(=O)N1,0,0.0,
+CC1(C)N=C2C(=[N+]1[O-])CCC/C2=N\O,0,0.0,
+CC1(C)NC(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)CN(Cc2ccccc2)Cc2ccccc2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)CN2C(=O)CCC2=O)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)CN2C(=O)NC(C)(C)C2=O)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)CN2CCCC2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)CN2CCCCC2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)CN2CCOCC2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)CNC23CC4CC(CC(C4)C2)C3)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)COC2CCCCC2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)COc2cc3ccccc3cc2C(=O)N2CCCCC2)C1=O,1,100.0,0.0
+CC1(C)NC(=O)N(CC(O)COc2ccc(-c3ccc(C#N)cc3)cc2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)COc2ccc(-c3ccccc3)cc2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)COc2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)COc2cccc(F)c2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)COc2ccccc2-c2ccccc2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)COc2ccccc2C(=O)N2CCCCC2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)COc2ccccc2C(=O)Nc2ccccc2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CC(O)Cn2nnc3ccccc32)C1=O,0,0.0,
+CC1(C)NC(=O)N(CCCCOc2ccc3c(c2)CCC3)C1=O,0,0.0,
+CC1(C)NC(=O)N(CCCCOc2cccc(C(F)(F)F)c2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CCCOc2ccc(Br)cc2Cl)C1=O,0,0.0,
+CC1(C)NC(=O)N(CCCOc2ccc3c(c2)CCC3)C1=O,0,0.0,
+CC1(C)NC(=O)N(CCCSc2ccc(Cl)cc2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CCOCCOc2cccc(Oc3ccccc3)c2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CCOCCSc2ccccc2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CCOc2ccc3c(c2)CCC3)C1=O,0,0.0,
+CC1(C)NC(=O)N(CCOc2cccc(Cl)c2Cl)C1=O,0,0.0,
+CC1(C)NC(=O)N(CCOc2cccc(Oc3ccccc3)c2)C1=O,0,0.0,
+CC1(C)NC(=O)N(CN2C(=O)NC(C)(C)C2=O)C1=O,0,0.0,
+CC1(C)NC(=O)N(CNc2cc(Cl)ccc2Cl)C1=O,0,0.0,
+CC1(C)NC(=O)N(c2ccccc2Cl)C1(C)NO,0,0.0,
+CC1(C)NC(=O)NC2(C)NC(=O)NC(C)(C)C12,0,0.0,
+CC1(C)NC(C)(C)C(O)(C(N)=O)C1=O,0,0.0,
+CC1(C)NCCN2C(=O)CSC21,0,0.0,
+CC1(C)Nc2ccc(O)cc2-c2c1ssc2=S,0,0.0,
+CC1(C)Nc2ccccc2N(CC(=O)N2CCCCC2)C1=O,1,100.0,0.0
+CC1(C)Nc2ccccc2N(CCC(=O)N2CCOCC2)C1=O,0,0.0,
+CC1(C)OC(=O)C(=C2CCCN2)C(=O)O1,0,0.0,
+CC1(C)OC(=O)C(=CNC(CCC(N)=O)C(=O)O)C(=O)O1,1,100.0,
+CC1(C)OC(=O)C(=CNC(Cc2c[nH]c3ccccc23)C(=O)O)C(=O)O1,0,0.0,
+CC1(C)OC(=O)C(=CNCC(=O)NCC(=O)O)C(=O)O1,0,0.0,
+CC1(C)OC(=O)C(=CNCC(O)c2ccccc2)C(=O)O1,0,0.0,
+CC1(C)OC(=O)C(=CNc2ccc(F)cc2)C(=O)O1,0,0.0,
+CC1(C)OC(=O)C(=CNc2cccc(C(=O)O)c2)C(=O)O1,0,0.0,
+CC1(C)OC(=O)C(=CNc2cccc(O)c2)C(=O)O1,0,0.0,
+CC1(C)OC(=O)C(=CNc2ccccc2)C(=O)O1,0,0.0,
+CC1(C)OC(=O)C(=CNc2ccccc2F)C(=O)O1,0,0.0,
+CC1(C)OC(=O)C(=CNc2ncccn2)C(=O)O1,0,0.0,
+CC1(C)OC(=O)C(=CNn2cnc3ccccc3c2=O)C(=O)O1,0,0.0,
+CC1(C)OC(=O)C(C(c2ccccc2)C(C#N)C(N)=O)=C(O)O1,0,0.0,
+CC1(C)OC(=O)C2(Cc3ccccc3N3CCCCC32)C(=O)O1,0,0.0,
+CC1(C)OC(=O)CC1C(=O)NCc1ccccc1,0,0.0,
+CC1(C)OC(=O)N(Cc2ccco2)C1(C)O,0,0.0,
+CC1(C)OC(=O)N(c2ccccn2)C1(C)O,0,0.0,
+CC1(C)OC(=O)N(c2cccnc2)C1(C)O,0,0.0,
+CC1(C)OC(C(=O)NC2CCCCC2)C(C(=O)NC2CCCCC2)O1,0,0.0,
+CC1(C)OC(C(N)=O)C(C(N)=O)O1,0,0.0,
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,0,0.0,
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,0,0.0,
+CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,0,0.0,
+CC1(C)Oc2ccc(C(=O)N3CCCC3)cc2N(CC(=O)NCc2ccccc2)C1=O,0,0.0,
+CC1(C)Oc2ccc(C(=O)N3CCCCC3)cc2N(CC(=O)NCc2ccccc2)C1=O,0,0.0,
+CC1(C)Oc2ccc(C(=O)N3CCOCC3)cc2N(CC(=O)N2CCOCC2)C1=O,0,0.0,
+CC1(C)Oc2ccc(C(=O)N3CCOCC3)cc2N(CC(=O)Nc2ccccc2)C1=O,0,0.0,
+CC1(C)Oc2ccc(C(=O)N3CCc4ccccc43)cc2N(CC(=O)N2CCCC2)C1=O,0,0.0,
+CC1(C)Oc2ccc(C(=O)NC3CC3)cc2N(CC(=O)N2CCOCC2)C1=O,0,0.0,
+CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)N2CCOCC2)C1=O,0,0.0,
+CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)NC2CCCC2)C1=O,0,0.0,
+CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)NC2CCCCC2)C1=O,0,0.0,
+CC1(C)Oc2ccc(NC(=O)C3COc4ccccc4O3)cc2O1,0,0.0,
+CC1(C)Oc2ccc3ccc(=O)oc3c2-c2cn[nH]c21,0,0.0,
+CC1(C)Oc2ccc3ccc(=O)oc3c2-c2cnoc21,0,0.0,
+CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NCCO)C1=O,0,0.0,
+CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/Nc2ccccn2)C1=O,0,0.0,
+CC1(C)Oc2ccc3ccc(=O)oc3c2C(N2CCCCC2)C1O,0,0.0,
+CC1(C)SC2[C@H](NC(=O)C(NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2C1C(=O)O,0,0.0,
+CC1(C)SC2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCCN1CCOCC1,0,0.0,
+CC1(C)SC2c3ccccc3C(=O)N2[C@@H]1C(=O)NCc1ccco1,0,0.0,
+CC1(C)SCC(C(=O)O)N1C=O,0,0.0,
+CC1(C)SCC2C(=O)N3C(CSC3(C)C)C(=O)N21,0,0.0,
+CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,0,0.0,
+CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,0,0.0,
+CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O,0,0.0,
+CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,0,0.0,
+CC1(C)[N+]([O-])=C2C(=[N+]([O-])C1(C)C)c1ccccc1/C2=N\O,0,0.0,
+CC1(C)c2ccccc2N2CC(=O)N(CC(N)=O)C21C,0,0.0,
+CC1(C)c2ccccc2N2CC(=O)NC21/C=C/c1ccco1,0,0.0,
+CC1(C)c2ccccc2N2CCC(=O)NC21/C=C/c1ccco1,0,0.0,
+CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccco1,0,0.0,
+CC1(C2(O)CC(c3ccccc3)ON2)CCCCC1,0,0.0,
+CC1(CC(=O)O)C(=O)N=C2C=CC=CN21,0,0.0,
+CC1(CC(=O)O)SC(=O)NC1=O,0,0.0,
+CC1(CCC#N)N=C(SCCC#N)N(c2ccccc2)C1=O,0,0.0,
+CC1(CCc2ccc3c(c2)OCO3)NC(=O)c2ccccc2N1,0,0.0,
+CC1(CCc2ccccc2)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O,0,0.0,
+CC1(Cc2ccc3c(c2)OCO3)NC(=O)NC1=O,0,0.0,
+CC1(Cc2cn(CCC#N)c3ccccc23)OCCO1,0,0.0,
+CC1(N2CCCCC2)CC2(O)C(=[N+]1[O-])CCC/C2=N\O,0,0.0,
+CC1(N2CCOCC2)CC2(O)C(=[N+]1[O-])CCc1nonc12,0,0.0,
+CC1(NC(=O)C23CC4CC(CC(C4)C2)C3)CCS(=O)(=O)C1,0,0.0,
+CC1(NC(=O)CCCSc2ccccc2)CCS(=O)(=O)C1,0,0.0,
+CC1(NC(=O)N2CCCCC2)CCS(=O)(=O)C1,0,0.0,
+CC1(O)CC(=O)N(c2ccccc2)O1,0,0.0,
+CC1(O)C[C@]2(C)N(O)C3CCCC[C@@H]3N2O1,0,0.0,
+CC1(O)N(Cc2ccccc2)C(=O)OC12CCCCC2,0,0.0,
+CC1(O)c2ccccc2C(=O)N1CCc1ccccc1F,0,0.0,
+CC1(O)c2ccccc2C(=O)N1Cc1ccccc1,0,0.0,
+CC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCCC2)C1=O,0,0.0,
+CC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O,0,0.0,
+CC1(c2ccc(Cl)cc2Cl)OCC(Cn2ccnc2)O1,0,0.0,
+CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O,0,0.0,
+CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O,0,0.0,
+CC1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O,0,0.0,
+CC1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O,0,0.0,
+CC1(c2ccc3noc(-c4ccc(Cl)cc4)c3c2)OCCO1,0,0.0,
+CC1(c2ccc3noc(-c4ccccc4)c3c2)OCCO1,0,0.0,
+CC1(c2ccccc2)CC(c2ccccc2)=Nc2nonc2N1,0,0.0,
+CC1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O,0,0.0,
+CC1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O,0,0.0,
+CC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O,0,0.0,
+CC1(c2ccccc2)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O,0,0.0,
+CC1(c2ccccc2)NC(=O)N(CCOc2ccccc2)C1=O,0,0.0,
+CC1(c2ccccc2)NCCN2C(=O)CSC21,0,0.0,
+CC1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O,0,0.0,
+CC1(c2ccccn2)Nc2ccccc2-c2nc3ccccc3n21,0,0.0,
+CC1(c2ccco2)NC(=O)NC1=O,0,0.0,
+CC1(c2cccs2)CC(c2cccs2)=C(C#N)C(=O)N1,0,0.0,
+CC1(c2ccncc2)Nc2ccccc2-c2nc3ccccc3n21,0,0.0,
+CC1(c2cnc(Nc3ccccc3)s2)CCC(=O)O1,0,0.0,
+CC1/C(=N/O)C(CN(C)C)C2CC1C2(C)C,0,0.0,
+CC12/C(=N/O)C3C4CC5C3/C(=N/O)C1C5C42,0,0.0,
+CC12C(=O)N(CCC(=O)O)C(=O)C1C1C=CC2C1,0,0.0,
+CC12C(=O)N(Cc3ccccc3)C(=O)C1C1C=CC2C1,0,0.0,
+CC12C(=O)N(c3cccc4cccnc34)C(=O)C1C1C=CC2C1,0,0.0,
+CC12C(=O)N(c3ccccc3C(=O)O)C(=O)C1C1C=CC2C1,0,0.0,
+CC12C(=O)N(c3ccccn3)C(=O)C1C1C=CC2C1,0,0.0,
+CC12C(=O)N(c3nccs3)C(=O)C1C1C=CC2C1,0,0.0,
+CC12C(=O)N(n3cnnc3)C(=O)C1C1C=CC2C1,0,0.0,
+CC12C=CC3(CN(Cc4ccccc4)C(=O)C3C1C(=O)NC1CC1)O2,0,0.0,
+CC12C=CC3(CN(Cc4ccccc4)C(=O)C3C1C(=O)NCc1ccco1)O2,0,0.0,
+CC12C=CC3(O1)C(C(=O)N(c1cccnc1)C3C(=O)NC1CCCCC1)C2C(=O)Nc1ccccc1,0,0.0,
+CC12CC(NC(=O)N1CCc1ccccc1)c1cc(Cl)ccc1O2,0,0.0,
+CC12CC(NC(=O)N1CCc1ccccc1)c1ccccc1O2,0,0.0,
+CC12CC(NC(=O)N1Cc1ccccc1)c1cc(Cl)ccc1O2,0,0.0,
+CC12CC(NC(=O)N1Cc1ccccc1)c1ccccc1O2,0,0.0,
+CC12CC(NC(=O)N1c1ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc1)c1ccccc1O2,0,0.0,
+CC12CC(NC(=O)N1c1ccc(C(=O)N3CCN(c4ccccn4)CC3)cc1)c1ccccc1O2,0,0.0,
+CC12CC(NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccc4)CC3)c1)c1ccccc1O2,0,0.0,
+CC12CC(NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccc4F)CC3)c1)c1ccccc1O2,0,0.0,
+CC12CC(NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccn4)CC3)c1)c1ccccc1O2,0,0.0,
+CC12CC(NC(=O)N1c1cccc(C(=O)NCc3ccc4c(c3)OCO4)c1)c1cc(Cl)ccc1O2,0,0.0,
+CC12CC(NC(=O)N1c1cccc(C(=O)Nc3ncn[nH]3)c1)c1ccccc1O2,0,0.0,
+CC12CC(c3ccccc3O1)C(C(=O)N1CCOCC1)C(=O)N2,0,0.0,
+CC12CC(c3ccccc3O1)C(C(=O)NCc1ccccc1)C(=O)N2,0,0.0,
+CC12CC(c3ccccc3O1)C(C(=O)OCc1ccccc1)C(=O)N2,0,0.0,
+CC12CC(c3ccccc3O1)N(C(=O)c1ccco1)C(=O)N2c1ccccc1,0,0.0,
+CC12CC3CC(C)(C1)CC(C(=O)Nc1nn[nH]n1)(C3)C2,0,0.0,
+CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,0,0.0,
+CC12CCC(=O)N1C(C(=O)Nc1cccc3ccccc13)CS2,0,0.0,
+CC12CCC(=O)N1C(C(=O)O)Cc1c2[nH]c2ccccc12,0,0.0,
+CC12CCC(=O)N1C(C(=O)OCC(=O)Nc1sccc1C#N)CS2,0,0.0,
+CC12CCC(=O)N1c1c(sc3nc(N4CCOCC4)c4c(c13)CCCC4)C(=O)N2,0,0.0,
+CC12CCC(=O)N1c1ccccc1C(=O)N2c1ccccc1,1,100.0,
+CC12CCC(C(=O)N(CCC#N)CCC#N)(CC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)N(c3ccccn3)c3ccccn3)(OC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)N3CCCCC3)(CC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)N3CCCc4ccccc43)(CC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)N3CCN(C(=O)C45CCC(C)(C(=O)O4)C5(C)C)CC3)(OC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)N3CCN(Cc4ccccc4)CC3)(OC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)N3CCN(c4ccccc4)CC3)(CC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)N3CCN(c4ncccn4)CC3)(c3nc4ccccc4nc31)C2(C)C,0,0.0,
+CC12CCC(C(=O)N3CCc4ccccc43)(CC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)NC3CCCC3)(CC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)NCC3CCCO3)(OC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)NCCCN3CCOCC3)(OC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)NCCCn3ccnc3)(OC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)NCCN3CCCCC3)(CC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)NCc3ccc4c(c3)OCO4)(CC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)NCc3ccccc3)(OC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)NCc3ccccn3)(OC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)NCc3cccnc3)(OC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)NCc3ccco3)(OC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)Nc3ccc4c(c3)OCCO4)(OC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)Nc3cccc(NC(=O)C45CCC(C)(C(=O)O4)C5(C)C)n3)(OC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)Nc3ccccc3N3CCOCC3)(CC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)Nc3cccnc3)(CC1=O)C2(C)C,0,0.0,
+CC12CCC(C(=O)O)(c3nc(C#N)c(C#N)nc31)C2(C)C,0,0.0,
+CC12CCC(C(=O)n3c1nc1ccccc13)C2(C)C,0,0.0,
+CC12CCC(C(N)=O)(c3nc4ccccc4nc31)C2(C)C,0,0.0,
+CC12CCC(c3c(C(=O)Nc4nccs4)nn(-c4ccccc4)c31)C2(C)C,0,0.0,
+CC12CCC(c3c(C(=O)O)nn(-c4ccccc4)c31)C2(C)C,0,0.0,
+CC12CCC3(CO)COC(c4ccccc4O1)C2C3,0,0.0,
+CC12CCCCC1(O)[N+](=O)C1=C(CCCC1)N2[O-],0,0.0,
+CC12CCCCC1=NC(c1ccc(Br)cc1)N2O,0,0.0,
+CC12CCCCC1=[N+]([O-])CN2O,0,0.0,
+CC12CCCCC1N(O)CN2O,0,0.0,
+CC12CCCCC1c1ccccc1C(=NCC(=O)O)N2,0,0.0,
+CC12CCCCN1CCCc1c2[nH]c2ccccc12,0,0.0,
+CC12CN(C(=O)c3ccccc3)C3(C#N)CC1CCC23C,0,0.0,
+CC12CN(C(=O)c3ccco3)CC(c3ccccc3)(CN(C(=O)c3ccco3)C1)C2=O,0,0.0,
+CC12CN(Cc3ccccc3)CC(C)(CN(Cc3ccccc3)C1)C2=NO,1,100.0,1.0
+CC12CN3C(O)C(C)(C1)CC(C)(C2)C3O,0,0.0,
+CC12CN3CC(=O)N4CC5(C)CN(CC(C)(C4)C5=O)C(=O)CN(C1)CC(C)(C3)C2=O,0,0.0,
+CC12CN3CC(C)(CN(C1)C31C(=O)N(Cc3ccccc3)c3ccccc31)C2=O,0,0.0,
+CC12CN3CC(C)(CN(C1)C31CCSCC1)C2=O,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1cc(Br)ccc1O)C2=O,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1cc3ccccc3[nH]1)C2=O,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1)C2,1,100.0,1.0
+CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1)C2=O,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1O)C2,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1ccc(Cl)cc1Cl)C2=O,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1ccc(Cl)cc1Cl)C2O,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1ccc3ccccc3c1O)C2=O,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1ccccc1Cl)C2O,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1cccnc1)C2=O,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1ccco1)C2=O,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1cccs1)C2,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1cccs1)C2O,0,0.0,
+CC12CN3CC(C)(CN(C1)C3c1ccncc1)C2=O,0,0.0,
+CC12CN3CC(C)(CN(C1)P3(=O)Oc1ccccc1)C2=O,0,0.0,
+CC12CN3CC(c4ccccc4)(CN(C1)C31CCCCC1)C2=O,0,0.0,
+CC12CN3CCN(CC(C3)C1(O)CN1CCCCC1)C2,0,0.0,
+CC12CN3CCN(CC(C3)C1(O)CN1CCOCC1)C2,0,0.0,
+CC12CN3CCN(CC(C3)C1O)C2,0,0.0,
+CC12CNCC(C)(CNC1)C2O,0,0.0,
+CC12COC3(C(=O)N4CCN(c5ccccn5)CC4)CC1CCC32C,0,0.0,
+CC12COC3(C(=O)Nc4ccc(Cl)cn4)CC1CCC32C,0,0.0,
+CC12COC3(C(=O)Nc4cccnc4)CC1CCC32C,0,0.0,
+CC12CS(=O)(=O)CC1SC(=S)N2c1ccccn1,0,0.0,
+CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,0,0.0,
+CC1=C(C#N)C(=O)N(C)C(=O)C1=Nc1ccc(N(C)C)cc1,0,0.0,
+CC1=C(C#N)C(=O)N(C)C(C)(C)C1,0,0.0,
+CC1=C(C#N)C(=O)N(CCCO)C(=O)C1=Nc1ccc(N(C)C)cc1,0,0.0,
+CC1=C(C#N)C(=O)NC(C)(C)C1,0,0.0,
+CC1=C(C#N)C(=O)OC(C)(C)C1,0,0.0,
+CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)N1,0,0.0,
+CC1=C(C#N)C(C)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CC1=C(C#N)C(NC(=O)C2CC2)(C(F)(F)F)C(=O)N1,0,0.0,
+CC1=C(C#N)C(NC(=O)c2ccco2)(C(F)(F)F)C(=O)N1,0,0.0,
+CC1=C(C#N)C(Nc2cccc(C)n2)(C(F)(F)F)C(=O)N1,0,0.0,
+CC1=C(C#N)C(c2ccc3ncccc3c2)C(C#N)=C(C)N1,0,0.0,
+CC1=C(C#N)C(c2ccoc2)C(C(=O)OCc2ccccc2)=C(N)S1,0,0.0,
+CC1=C(C#N)C(c2cn(-c3ccccc3)nc2-c2cccs2)C(C#N)=C(C)N1,0,0.0,
+CC1=C(C#N)C2C(/C1=N/O)C2(C)C,0,0.0,
+CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccccc1,0,0.0,
+CC1=C(C(=O)N(C)C)C(c2ccc(Cl)c(Cl)c2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)N(C)C)C(c2cccc(Cl)c2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)N(C)CCC#N)C2(CCCCC2)OC1=O,0,0.0,
+CC1=C(C(=O)N(C)Cc2ccccc2)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)N2CCC3(CC2)OCCO3)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)N2CCCCC2)C(c2cccs2)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)N2CCCCC2)C(c2cccs2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)N2CCCCC2)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)N2CCCCCC2)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)N2CCN(C(=O)c3ccco3)CC2)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)N2CCOCC2)C(c2cc(C)cs2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)N2CCOCC2)C(c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CC1=C(C(=O)N2CCOCC2)C(c2ccccc2F)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)N2CCOCC2)C(c2cccs2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)N2CCOCC2)C(c2ccsc2)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)N2CCc3ccccc32)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)NC(C)C)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)NC(C)c2ccc3c(c2)OCCO3)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)NC2CCC(C)CC2)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)NC2CCCC(C)C2C)C2(CCCCC2)OC1=O,0,0.0,
+CC1=C(C(=O)NC2CCCCC2C)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)NCCCOC(C)C)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)NCCN2CCN(C)CC2)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)NCCN2CCOCC2)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)NCc2ccc3c(c2)OCO3)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)NCc2ccccc2)C(c2ccc(C)o2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2OCC(N)=O)NC(=O)N1,0,0.0,
+CC1=C(C(=O)NCc2ccccc2)C(c2cccnc2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)NCc2ccccc2)C(c2cccs2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)NCc2ccccn2)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)NCc2ccco2)C2(CCC(C)CC2)OC1=O,0,0.0,
+CC1=C(C(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)C2(CCCCC2)OC1=O,0,0.0,
+CC1=C(C(=O)Nc2cc(C)ccn2)C(c2ccc(C)cc2)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(N(C)C)cc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccco2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cccs2)n2nnnc2N1,0,0.0,
+CC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CC1=C(C(=O)Nc2ccc(F)cc2)C(c2cccc(C)c2)n2nc(CCCO)nc2N1,0,0.0,
+CC1=C(C(=O)Nc2cccc(C)n2)C(c2ccc3c(c2)OCO3)C2=C(CC(c3ccco3)CC2=O)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)N2C(=O)CSC2=N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)n2c(s/c(=C\c3ccco3)c2=O)=N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccc(N(C)C)cc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)N2C(=O)CSC2=N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccccn2)n2nc(CCCO)nc2N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)n2nc(-c3cccnc3)nc2N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCC(=O)OC(C)C)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCc2ccccc2)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)C(C#N)=C(SCC#N)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)n2nnnc2N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)C(C#N)=C(SCC(=O)NC(C)C)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)C(C#N)=C(SCC(=O)NC2CC2)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)n2nnnc2N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)N2C(=O)CSC2=N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2C)C(c2cccnc2)n2nc(CCCO)nc2N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2C)C2(CCCC2)C(C(N)=O)C(=O)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccc2Cl)C(c2ccc(N(C)C)cc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)Nc2ccccn2)C(c2ccc(Br)cc2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)Nc2ccccn2)C(c2ccc(F)cc2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)Nc2ccccn2)C(c2ccc(N(C)C)cc2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)Nc2ccccn2)C(c2cccnc2)n2nnnc2N1,0,0.0,
+CC1=C(C(=O)Nc2cccnc2)C(c2ccc(C(C)C)cc2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)Nc2cccnc2)C(c2ccccn2)n2nnnc2N1,0,0.0,
+CC1=C(C(=O)Nc2cccnc2)C(c2cccnc2)n2nc(-c3cccs3)nc2N1,0,0.0,
+CC1=C(C(=O)Nc2cccnc2)C(c2ccncc2)n2nnnc2N1,0,0.0,
+CC1=C(C(=O)OC(C)(C)C)C(c2ccco2)C(C#N)=C(N)O1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(/C=C/c2ccccc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(C)C(C(=O)OC(C)C)=C(C)N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(C)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(C2CC=CCC2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2c(O)ccc3ccccc23)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2c[nH]c3ccccc23)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2ccc(Br)s2)NC(=O)N1C,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2ccc(F)cc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2cccc(F)c2)N2C(=O)C(C)SC2=N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2cccc(F)c2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2ccccc2Cl)CC(=O)N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2ccccn2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2cccnc2)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2cccnc2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2cccs2)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2cccs2)N2C(=O)C(C)SC2=N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2cccs2)N2C(=O)CCSC2=N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2cccs2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)OC(C)C)C(c2ccncc2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)OC(C)C)[C@]2(C(=O)N(CC(N)=O)c3ccccc32)C(C#N)=C(N)O1,0,0.0,
+CC1=C(C(=O)OC2CCCC2)C(c2ccc(C)o2)C2=C(CC(c3cccs3)CC2=O)N1,0,0.0,
+CC1=C(C(=O)OC2CCCCC2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CC1=C(C(=O)OC2CCCCC2)C(c2ccc(C)o2)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)OC2CCCCC2)C(c2cccnc2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)OC2CCCCC2)C(c2cccnc2)n2nnnc2N1,0,0.0,
+CC1=C(C(=O)OC2CCCCC2)C(c2ccco2)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CC1=C(C(=O)OC2CCCCC2)C(c2ccco2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)OC2CCCCCC2)C(c2ccc(C)o2)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)OC2CCCCCCC2)C(c2ccc(O)cc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OC2CCCCCCC2)C(c2cccc(O)c2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OCC(C)C)C(c2cc3c(cc2Br)OCO3)NC(=O)N1C,0,0.0,
+CC1=C(C(=O)OCC(C)C)C(c2ccc(F)cc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OCC(C)C)C(c2cccc(F)c2)N2C(=O)C(C)SC2=N1,0,0.0,
+CC1=C(C(=O)OCC(C)C)C(c2ccccc2Cl)NC(=O)N1C,0,0.0,
+CC1=C(C(=O)OCC(C)C)C23C(=O)c4ccccc4C2(O1)OC(N)=C3C#N,0,0.0,
+CC1=C(C(=O)OCC2CCCO2)C(c2ccc(C)o2)C2=C(CC(c3ccc(F)cc3)CC2=O)N1,0,0.0,
+CC1=C(C(=O)OCC2CCCO2)C(c2ccc(C)o2)C2=C(CC(c3ccc(N(C)C)cc3)CC2=O)N1,0,0.0,
+CC1=C(C(=O)OCC2CCCO2)C(c2ccc(O)cc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OCC2CCCO2)C(c2cccc(O)c2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OCC2CCCO2)C(c2ccccc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OCC2CCCO2)C(c2ccccc2OC(C)C)C2=C(CC(c3ccco3)CC2=O)N1,0,0.0,
+CC1=C(C(=O)OCC2CCCO2)C(c2ccncc2)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CC1=C(C(=O)OCC2CCCO2)C(c2ccncc2)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)OCCOC(C)C)C(c2cc3c(cc2Br)OCO3)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)OCCOC(C)C)C(c2cccnc2)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)OCCOc2ccccc2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccc(Cl)cc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccc(F)cc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccccc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OCc2ccccc2)C(c2ccc(C)o2)C2=C(CCCC2=O)N1,0,0.0,
+CC1=C(C(=O)OCc2ccccc2)C(c2ccc(N3CCOCC3)cc2)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2OC(F)F)NC(=O)N1,0,0.0,
+CC1=C(C(=O)OCc2ccccc2)C(c2ccccn2)c2c(n(C)c(=O)n(C)c2=O)N1,0,0.0,
+CC1=C(C(=O)OCc2ccccc2)C(c2cccnc2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)OCc2ccccc2)C(c2ccco2)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CC1=C(C(=O)OCc2ccccc2)C(c2ccco2)n2ncnc2N1,0,0.0,
+CC1=C(C(=O)OCc2ccccc2)C(c2ccoc2)C(C#N)=C(N)O1,0,0.0,
+CC1=C(C(N)=O)C(c2ccc(C)o2)C(C(N)=O)=C(C)N1,0,0.0,
+CC1=C(C(N)=O)C(c2ccc(Cl)cc2)NC(=O)N1,0,0.0,
+CC1=C(C(N)=O)C(c2ccc(Cl)cc2Cl)n2ncnc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)n2nc(-c3cccc(C)c3)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2cccc(O)c2)n2nc(CCCO)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2cccc(OCc3ccccc3)c2)n2nnnc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2ccccc2)n2nc(-c3cccc(C)c3)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2ccccc2)n2nc(-c3cccs3)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2ccccc2)n2nc(-c3ccncc3)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2ccccn2)n2nc(-c3ccccc3Cl)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2ccccn2)n2nc(SCc3ccccc3)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2ccccn2)n2nc(SCc3ccccc3Cl)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2cccnc2)n2nc(-c3cccc(C)c3)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2cccnc2)n2nc(-c3cccc(Cl)c3)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2cccnc2)n2nc(SCc3ccccc3Cl)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2ccco2)C(C(N)=O)=C(C)N1,0,0.0,
+CC1=C(C(N)=O)C(c2cccs2)n2nc(-c3cccc(C)c3)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2cccs2)n2nc(-c3cccc(Cl)c3)nc2N1,0,0.0,
+CC1=C(C(N)=O)C(c2ccncc2)n2nc(-c3ccccc3Cl)nc2N1,0,0.0,
+CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O,0,0.0,
+CC1=C(C)C(=O)N(CCC(=O)O)C1=O,0,0.0,
+CC1=C(C)C(=O)N(c2ccc(C(=O)O)cc2)C1=O,0,0.0,
+CC1=C(C)C(=O)N(c2ccccn2)C1=O,0,0.0,
+CC1=C(C)C(=O)NC(Nc2nc(C)c3cc(C)cc(C)c3n2)N1,0,0.0,
+CC1=C(C)CC(C(=O)N2CCN(Cc3ccccc3)CC2)C(C(=O)O)C1,0,0.0,
+CC1=C(C)CC2C(=O)N(c3cccc4ccccc34)C(=O)C2C1,0,0.0,
+CC1=C(C)C[S+]([O-])N(S(=O)(=O)c2ccc(Cl)cc2)C1,0,0.0,
+CC1=C(C)C[S+]([O-])N(c2ccc(S(N)(=O)=O)cc2)C1,0,0.0,
+CC1=C(C)NC(=S)SC1,0,0.0,
+CC1=C(C)SC(=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)S1,0,0.0,
+CC1=C(C)[N+](=O)C2CCCCC2N1[O-],0,0.0,
+CC1=C(NCCc2ccccc2)CCC1=O,0,0.0,
+CC1=C(SCCC#N)S/C(=C2\SC(C)=C(SCCC#N)S2)S1,0,0.0,
+CC1=C(Sc2ccccn2)C(=O)NC(C)(C)C1,0,0.0,
+CC1=C(Sc2nc3ccccc3[nH]2)C(=O)NC(C)(C)C1,0,0.0,
+CC1=C(c2ccc(C)cc2)S(=O)(=O)N(CC(=O)O)C1=O,0,0.0,
+CC1=C(c2ccc(Cl)cc2)[N+](=O)C(C)(C)N1[O-],0,0.0,
+CC1=C(c2ccccc2)[N+](=O)C2(CCCC2)N1[O-],0,0.0,
+CC1=C(n2nnc3ccccc32)C(c2ccccc2)C(C#N)=C(N)O1,0,0.0,
+CC1=C/C(=C/N(C)c2ccccc2)C(=O)S1,0,0.0,
+CC1=C/C(=C\c2ccc3c(c2)OCO3)C(=O)S1,0,0.0,
+CC1=C2C(=O)OC(c3ccoc3)C2(C)CCC1,0,0.0,
+CC1=C2C(CCS2(=O)=O)CC2(C1)C(=O)OC(C)(C)OC2=O,0,0.0,
+CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1Cc1ccco1,0,0.0,
+CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1C,0,0.0,
+CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1Cc1ccco1,0,0.0,
+CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)O1,1,100.0,0.0
+CC1=CC(=C2N=C(c3ccccc3)OC2=O)C=C(C)O1,0,0.0,
+CC1=CC(=O)C2=C(C)CC(O)C3C(C)C(=O)OC3C12,0,0.0,
+CC1=CC(=O)NP(=O)(Oc2ccc3ccccc3c2)N1,0,0.0,
+CC1=CC(=O)OC1Cc1ccncc1,0,0.0,
+CC1=CC(C#N)(C#N)C(C#N)(C#N)C(c2ccccc2)N1,0,0.0,
+CC1=CC(C)(C)C(C(=O)O)C(C(=O)O)C1,0,0.0,
+CC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc21,0,0.0,
+CC1=CC(C)(C)N(C(=O)CSc2nccn2C)c2cc(C)ccc21,0,0.0,
+CC1=CC(C)(C)N(C(=O)CSc2nnc(-c3ccccc3)o2)c2ccc(C)cc21,0,0.0,
+CC1=CC(C)(C)N(C(=O)c2ccc(F)cc2)c2cc3c(cc21)OCO3,0,0.0,
+CC1=CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21,0,0.0,
+CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cccc1c32,0,0.0,
+CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3c(C)c(C)cc1c32,0,0.0,
+CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)Oc4cc(C)oc(=O)c43)c3cccc1c32,0,0.0,
+CC1=CC(C)(C)N2C(=O)C3(N=C(N)NC(Nc4ccccc4)=N3)c3cc(C)cc1c32,0,0.0,
+CC1=CC(C)(C)N2C(=O)C3(SCC(=O)N3c3ccc(O)cc3)c3cc(C)cc1c32,0,0.0,
+CC1=CC(C)(C)N=C(Nc2ccc(C)cc2)S1,1,100.0,1.0
+CC1=CC(C)(C)Nc2cc(C)c(C)cc21,0,0.0,
+CC1=CC(C)(C)Nc2ccc(C)cc21,0,0.0,
+CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc21,0,0.0,
+CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccnc3)cc21,0,0.0,
+CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccco3)cc21,0,0.0,
+CC1=CC(C)(C)Nc2ccccc21,0,0.0,
+CC1=CC(C)=Nc2ccc(C)cc2N1,0,0.0,
+CC1=CC(C)C(/C=N/n2cnnc2)C(C)C1,0,0.0,
+CC1=CC(C)C(C(=O)O)C(C(=O)O)C1,0,0.0,
+CC1=CC(C)C(COC(N)=O)(COC(N)=O)C(C)C1,0,0.0,
+CC1=CC(C)C2C(=O)N(CCCN(C)C)C(=O)C2C1,0,0.0,
+CC1=CC(C)C2C(=O)N(CCC[N+](C)(C)C)C(=O)C2C1,0,0.0,
+CC1=CC(c2ccccc2)n2nc(N3C(=O)C4CC=CCC4C3=O)nc2N1,0,0.0,
+CC1=CC(c2ccccc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1,0,0.0,
+CC1=CC(c2ccccc2)n2nc(NS(=O)(=O)c3ccc(C)cc3)nc2N1,0,0.0,
+CC1=CC2(C#N)C3(N=C(N)C2(C#N)C(c2ccccc2)N1)OCCO3,0,0.0,
+CC1=CC2=C(OC1N(C)C)c1cccc3cccc(c13)C2=O,0,0.0,
+CC1=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC(C)(C)C)C3CCCC3)N2C=C1,0,0.0,
+CC1=CC=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC(C)C)C3CCCC3)N12,0,0.0,
+CC1=CC=CN2CC(O)CN=C12,0,0.0,
+CC1=CCC(C(=O)O)C(C(=O)O)C1,0,0.0,
+CC1=CCC(C(C)(C)NC(=O)c2ccccc2)C/C1=N\O,0,0.0,
+CC1=CCC(COC(=O)Nc2ccccc2)CC1,0,0.0,
+CC1=CCC(Cc2nc3ccccc3o2)C1(C)C,0,0.0,
+CC1=CCC2C(=O)N(c3ccc(Br)cc3C)C(=O)C2C1,0,0.0,
+CC1=CCC2C(=O)N(c3ccc(C)c(Br)c3)C(=O)C2C1,0,0.0,
+CC1=CCC2C(=O)N(c3ccc4ccccc4n3)C(=O)C2C1,0,0.0,
+CC1=CCC2C(=O)N(c3cccc(C(=O)N(C)C4CCCCC4)c3)C(=O)C2C1,0,0.0,
+CC1=CCC2C(=O)N(c3nc(C)cc(C)n3)C(=O)C2C1,0,0.0,
+CC1=CCC2C(=O)N(c3nc4ccccc4n3C)C(=O)C2C1,0,0.0,
+CC1=CCP(=O)(c2ccccc2)C1,0,0.0,
+CC1=CS/C(=C(/C#N)C(=O)N2CCCCC2)N1c1ccccc1,0,0.0,
+CC1=CS/C(=C(/C#N)C(=O)N2CCOCC2)N1c1ccccc1,0,0.0,
+CC1=CS/C(=C(/C#N)C(=O)NCc2ccco2)N1c1ccccc1,0,0.0,
+CC1=NC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(C)N1,0,0.0,
+CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1Cc1ccco1,0,0.0,
+CC1=NC(C)Cc2ccccc21,0,0.0,
+CC1=NC(Nc2nc(C)c3ccccc3n2)=NC(C)(C)C1,1,100.0,1.0
+CC1=NC2(CCCc3c2no[n+]3[O-])N(O)C1(C)C,0,0.0,
+CC1=NCCN1S(=O)(=O)c1cc(Cl)ccc1Cl,0,0.0,
+CC1=NCCN1S(=O)(=O)c1ccc(Br)c(C)c1,0,0.0,
+CC1=NN(c2ccccc2)C(=O)C1,0,0.0,
+CC1=NOC2(C)Nc3ncnn3C(c3ccccc3)C12,0,0.0,
+CC1=NOC2(C1)/C(=N/O)CCC/C2=N\O,0,0.0,
+CC1=NOC2(C1)N(C)c1ccccc1C2(C)C,0,0.0,
+CC1=NS(=O)(=O)c2cc(Cl)ccc2N1,0,0.0,
+CC1=Nc2ccc(C)cc2N(Cc2ccccc2)C(=O)C1,0,0.0,
+CC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2-c2ccccc2)C1c1ccccc1,0,0.0,
+CC1=Nc2ccccc2NC(=O)C1Sc1nnc(C)s1,0,0.0,
+CC1=Nc2ncnn2C(c2ccccc2)/C1=N\O,0,0.0,
+CC1=Nn2c(nc(-c3ccccc3)c2-c2ccccc2)N(CC(N)=O)C(=O)C1,0,0.0,
+CC1=Nn2c(nnc2-c2cc(-c3ccccc3)n[nH]2)SC1,0,0.0,
+CC1=Nn2c(nnc2-c2cc(C)[nH]n2)SC1,0,0.0,
+CC1=Nn2c(nnc2-c2ccc(F)cc2)SC1,0,0.0,
+CC1=Nn2c(nnc2-c2ccccc2)SC1,1,100.0,0.0
+CC1=Nn2c(nnc2-c2ccccc2Cl)SC1,0,0.0,
+CC1=Nn2c(nnc2-c2ccccc2F)SC1,0,0.0,
+CC1=Nn2c(nnc2-c2ccccn2)SC1,0,0.0,
+CC1=Nn2c(nnc2-c2ccco2)SC1,0,0.0,
+CC1=Nn2c(nnc2-c2n[nH]c3c2CCC3)SC1,0,0.0,
+CC1=Nn2c(nnc2C2CCCCC2)SC1,0,0.0,
+CC1=[N+]([O-])C(C)(C)C(C)N(O)C1=O,0,0.0,
+CC1=[N+]([O-])C(C)(C)CC(C)(C)c2ccccc21,0,0.0,
+CC1=[N+]([O-])C(N2CCOCC2)C(O)(c2ccccc2)C1,0,0.0,
+CC1C(=NO)C(C)C(c2ccc(N(C)C)cc2)NC1c1ccc(N(C)C)cc1,0,0.0,
+CC1C(=O)C(C)C(c2ccc3c(c2)OCO3)NC1c1ccc2c(c1)OCO2,0,0.0,
+CC1C(=O)C(C)C(c2ccco2)NC1c1ccco1,0,0.0,
+CC1C(=O)C(C)C(c2cccs2)NC1c1cccs1,0,0.0,
+CC1C(=O)C(C)C2N(C(=O)C3C(C(=O)O)C4C=CC32O4)C1c1ccco1,0,0.0,
+CC1C(=O)CC(c2ccccc2)N(C)C1c1ccccc1,0,0.0,
+CC1C(=O)CC(c2ccco2)N2C(=O)C3C(C(=O)O)C4C=CC3(O4)C12,0,0.0,
+CC1C(=O)CCC1(C(=O)O)c1ccccc1,0,0.0,
+CC1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,0,0.0,
+CC1C(C#N)=C(N)OC2=C1C(=O)CCC2,0,0.0,
+CC1C(O)=C(c2nc3ccccc3[nH]2)C(=N)N1c1ccccc1,0,0.0,
+CC1C(c2ccccc2)=[N+]([O-])C2(CCCC2)N1O,0,0.0,
+CC1C(c2ccccc2)N(C)CCC12NC(=O)NC2=O,0,0.0,
+CC1C/C=C/C=C/C=C/C=C/C(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC2OC(O)(CC(O)CC3OC3/C=C/C(=O)O1)CC(O)C2C(=O)O,0,0.0,
+CC1C2C(C)N(C)C(=O)N(C)C2N(C)C(=O)N1C,0,0.0,
+CC1C2C(c3ccccc3)N(C)C(=O)N(C)C2N(C)C(=O)N1C,0,0.0,
+CC1C2CC(C(CN(C)C)/C2=N/O)C1(C)C,0,0.0,
+CC1C2CC(C(S(=O)(=O)N3CCOCC3)C2=O)C1(C)C,0,0.0,
+CC1C2CC(CC1(C)C)N(C(=O)Nc1ccc3nccnc3c1)C2,0,0.0,
+CC1C=CC(C)C(C(=O)O)C1C(=O)O,0,0.0,
+CC1C=CCC2C(=O)N(c3cccc(C(=O)N4CCCCCC4)c3)C(=O)C12,0,0.0,
+CC1C=CCC2C(=O)N(c3cccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3)C(=O)C12,0,0.0,
+CC1C=Cc2ccccc2N1C(=O)c1ccccc1,0,0.0,
+CC1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)C2c1ccco1,0,0.0,
+CC1CC(=O)C2=C(C1)Nc1ncnn1C2c1ccccc1,0,0.0,
+CC1CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1coc2ccccc2c1=O,0,0.0,
+CC1CC(=O)C=C(O)C1C(=O)OC(C)(C)C,0,0.0,
+CC1CC(=O)N(CC(=O)N2CCCC2)c2ccccc2S1,0,0.0,
+CC1CC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2S1,0,0.0,
+CC1CC(=O)N(CC(=O)NCc2ccco2)c2ccccc2S1,0,0.0,
+CC1CC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2S1,0,0.0,
+CC1CC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2S1,0,0.0,
+CC1CC(=O)Nc2ccccc2S1(=O)=O,0,0.0,
+CC1CC(=O)c2cnc(NCC3CCCO3)nc2C1,0,0.0,
+CC1CC(=O)c2cnc(NCc3ccco3)nc2C1,0,0.0,
+CC1CC(=O)c2cnc(Nc3cccc(C(F)(F)F)c3)nc2C1,0,0.0,
+CC1CC(C(F)(F)C(F)(F)F)n2nc(C(=O)O)cc2N1,0,0.0,
+CC1CC(C(F)(F)F)n2ncc(C(=O)O)c2N1,0,0.0,
+CC1CC(C(F)(F)F)n2ncnc2N1,0,0.0,
+CC1CC(C(O)c2ccccn2)C(=O)C(C(O)c2ccccn2)C1,0,0.0,
+CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)NCC(c1ccco1)N1CCCCC1)C2=O,0,0.0,
+CC1CC(C)(C)NC(=O)O1,0,0.0,
+CC1CC(C)(C)NC(=S)S1,0,0.0,
+CC1CC(C)(C)NC(C)c2ccccc21,0,0.0,
+CC1CC(C)(C)NCCNC(C)CC(C)(C)NCCN1,0,0.0,
+CC1CC(C)(C)NCc2ccccc21,0,0.0,
+CC1CC(C)(C)Nc2ccc(OC(=O)c3ccco3)cc21,0,0.0,
+CC1CC(C)CN(C(=O)C(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)C1,0,0.0,
+CC1CC(C)CN(C(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)C1,0,0.0,
+CC1CC(C)CN(C(=O)CCCn2c(=S)[nH]c3ccccc3c2=O)C1,0,0.0,
+CC1CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)C1,0,0.0,
+CC1CC(C)CN(C(=O)COC(=O)c2cc3ccccc3cc2O)C1,0,0.0,
+CC1CC(C)CN(C(=O)COc2ccc(-c3nnco3)cc2)C1,0,0.0,
+CC1CC(C)CN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)C1,0,0.0,
+CC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1,0,0.0,
+CC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)C1,0,0.0,
+CC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)C1,0,0.0,
+CC1CC(C)CN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)C1,0,0.0,
+CC1CC(C)CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1,0,0.0,
+CC1CC(C)CN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1,0,0.0,
+CC1CC(C)CN(CC(C)(C)NS(=O)(=O)c2ccccc2)C1,1,100.0,0.0
+CC1CC(C)CN(CCCNC(=O)C2CCC(=O)N2C2CCCC2)C1,0,0.0,
+CC1CC(C)CN(CCCNC(=O)C2CCCN(c3nnc(N4CCCC4=O)s3)C2)C1,0,0.0,
+CC1CC(C)CN(CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)C1,0,0.0,
+CC1CC(C)CN(CCCNC(=O)CC2Oc3ccccc3NC2=O)C1,0,0.0,
+CC1CC(C)CN(CCCNC(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1,0,0.0,
+CC1CC(C)CN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)C1,0,0.0,
+CC1CC(C)CN(CCCNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)C1,0,0.0,
+CC1CC(C)CN(CCCNC(=O)Cn2ncc3c(=O)oc4ccccc4c32)C1,0,0.0,
+CC1CC(C)CN(CCCNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)C1,0,0.0,
+CC1CC(C)CN(CCCNC(=O)c2ccc3c(c2)NC(=O)C(N2CCCCC2)S3)C1,0,0.0,
+CC1CC(C)CN(CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)C1,0,0.0,
+CC1CC(C)CN(CCCn2c(=S)[nH]c3ccccc3c2=O)C1,0,0.0,
+CC1CC(C)CN(Cc2nc(N)nc(Nc3ccc4ccccc4c3)n2)C1,0,0.0,
+CC1CC(C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)C1,0,0.0,
+CC1CC(C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C1,0,0.0,
+CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C1,0,0.0,
+CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NCCCn3ccnc3)cc2)C1,0,0.0,
+CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C1,0,0.0,
+CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)C1,0,0.0,
+CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCOCC2)C1,0,0.0,
+CC1CC(C)CN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+CC1CC(C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2nc3ccccc3s2)C1,0,0.0,
+CC1CC(C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)C1,0,0.0,
+CC1CC(C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C)C1,0,0.0,
+CC1CC(C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3o2)C1,0,0.0,
+CC1CC(C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)C1,0,0.0,
+CC1CC(C)CN(c2ncc3c(n2)CC(c2ccc(Cl)cc2)CC3=O)C1,0,0.0,
+CC1CC(C)CN(c2ncc3c(n2)CC(c2ccccc2)CC3=O)C1,0,0.0,
+CC1CC(C)CN(c2ncc3c(n2)CC(c2ccccc2Cl)CC3=O)C1,0,0.0,
+CC1CC(C)CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1,0,0.0,
+CC1CC(C)CN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)C1,0,0.0,
+CC1CC(C)CN(c2oc(-c3ccccc3Cl)nc2C#N)C1,0,0.0,
+CC1CC(C)CN(c2oc(-c3ccco3)nc2C#N)C1,0,0.0,
+CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)C1CC1,0,0.0,
+CC1CC(N(C(=O)c2ccco2)c2ccccc2)c2ccccc2N1,0,0.0,
+CC1CC(NC(=O)CCn2c(=O)oc3ccccc32)CC(C)(C)C1,0,0.0,
+CC1CC(NC(=O)c2cnc3n(c2=O)CCS3)CC(C)(C)C1,0,0.0,
+CC1CC(c2ccccc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1,0,0.0,
+CC1CC(c2ccccc2)n2nc(NC(=O)CCc3ccccc3)nc2N1,0,0.0,
+CC1CC(c2ccccc2)n2nc(NC(=O)c3ccco3)nc2N1,0,0.0,
+CC1CC(c2ccccc2)n2nc(NC(=O)c3cccs3)nc2N1,0,0.0,
+CC1CC1C(=O)OCC(=O)NCc1ccccc1Cl,0,0.0,
+CC1CC1C(=O)OCc1cc(=O)n2cc(Br)ccc2n1,0,0.0,
+CC1CC2(C)Oc3ccccc3C3OCC1(CO)C(C)C32,0,0.0,
+CC1CC2(CC(C)(C(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)OC2=O)C(=O)O1,0,0.0,
+CC1CC2(CC(C)(C(=O)CSc3nc4ccccc4s3)OC2=O)C(=O)O1,0,0.0,
+CC1CC2(O)c3no[n+]([O-])c3CCC2N1O,0,0.0,
+CC1CC2(O)c3nonc3CCC2N1O,0,0.0,
+CC1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccs3)C2C1,0,0.0,
+CC1CCC(C(=O)NC(C(=O)N2CCC(N3CCCCC3)CC2)C(C)C)CC1,0,0.0,
+CC1CCC(C(=O)NC(C(=O)N2CCC3(CC2)OCCO3)C(C)C)CC1,0,0.0,
+CC1CCC(C(=O)NC(C(=O)N2CCN(c3ccccn3)CC2)C(C)C)CC1,0,0.0,
+CC1CCC(C(=O)NC(C(=O)NCCCN2CCOCC2)C(C)C)CC1,0,0.0,
+CC1CCC(C(=O)NC(C(=O)NCCN2CCC(C)CC2)C(C)C)CC1,0,0.0,
+CC1CCC(C(C)C)C(OC(=O)COC(=O)c2ccc(=O)[nH]c2)C1,0,0.0,
+CC1CCC(C(C)C)C(OC(=O)COC(=O)c2cccn2C)C1,0,0.0,
+CC1CCC(C(C)C)C(OC(=O)CSc2n[nH]c(=O)[nH]c2=O)C1,0,0.0,
+CC1CCC(C(C)C)C(OP(N)(=O)c2ccccc2)C1,0,0.0,
+CC1CCC(N2CCN(S(C)(=O)=O)CC2)CC1,0,0.0,
+CC1CCC(N2CCN(c3ncccn3)CC2)CC1,0,0.0,
+CC1CCC(NC(=O)C2(C)CCC(=O)N2Cc2cccnc2)CC1,0,0.0,
+CC1CCC(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)CC1,0,0.0,
+CC1CCC(NC(=O)C2CCN(c3cnccn3)CC2)CC1,0,0.0,
+CC1CCC(NC(=O)C2c3ccccc3C(=O)N2CCCN2CCOCC2)CC1,0,0.0,
+CC1CCC(NC(=O)CC2Oc3ccccc3NC2=O)CC1,0,0.0,
+CC1CCC(NC(=O)CN2C(=O)C3CCCN3c3ncc(Cl)cc32)CC1,0,0.0,
+CC1CCC(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)CC1,0,0.0,
+CC1CCC(NC(=O)CN2CCCN(Cc3ccc(F)cc3Cl)C2=O)CC1,0,0.0,
+CC1CCC(NC(=O)Cn2c(=O)[nH]c3ccsc3c2=O)CC1,0,0.0,
+CC1CCC(NC(=O)Cn2cc3c(n2)CCCC3)CC1,0,0.0,
+CC1CCC(NC(=O)Cn2ncc3ccccc32)CC1,0,0.0,
+CC1CCC(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,0,0.0,
+CC1CCC(NC(=O)c2cc3c(s2)CS(=O)(=O)C3)CC1,0,0.0,
+CC1CCC(NC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)CC1,0,0.0,
+CC1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1,0,0.0,
+CC1CCC(NCCc2ccc3c(c2)OCO3)CC1,1,100.0,1.0
+CC1CCC(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)CC1,0,0.0,
+CC1CCC(n2c(=S)[nH]c3ccccc3c2=O)CC1,0,0.0,
+CC1CCC/C(=C\Nc2ccc(O)cc2)C1=O,0,0.0,
+CC1CCC/C(=C\Nc2ccc3c(c2)OCO3)C1=O,0,0.0,
+CC1CCC/C(=C\Nc2ccccc2C(=O)O)C1=O,0,0.0,
+CC1CCC2(CC1)NC(=O)N(CC(=O)NC(=O)NC1CCCC1)C2=O,0,0.0,
+CC1CCC2(CC1)NC(=O)N(Cc1nc(-c3ccccc3)no1)C2=O,0,0.0,
+CC1CCC2(CC1)NC(=O)c1ccccc1O2,0,0.0,
+CC1CCC2C(C1)c1sc(=O)[nH]c1SC2(C)C,0,0.0,
+CC1CCCC(C(=O)O)N1C(=O)CCSC(=O)c1ccccc1,0,0.0,
+CC1CCCC(C(=O)OCc2ccccc2)N1,0,0.0,
+CC1CCCC(C)N1C(=O)C1CC(c2ccc(F)cc2)=NO1,0,0.0,
+CC1CCCC(C)N1C(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCC3)cc21,0,0.0,
+CC1CCCC(C)N1C(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21,0,0.0,
+CC1CCCC(C)N1C(=O)CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1,0,0.0,
+CC1CCCC(C)N1C(=O)COC(=O)c1ccc2c(c1)OCO2,0,0.0,
+CC1CCCC(C)N1C(=O)COC(=O)c1ccc[nH]c1=O,0,0.0,
+CC1CCCC(C)N1C(=O)COc1ccc(-c2nnco2)cc1,0,0.0,
+CC1CCCC(C)N1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1,0,0.0,
+CC1CCCC(C)N1C(=O)CSc1nnc(-c2cccs2)o1,0,0.0,
+CC1CCCC(C)N1C(=O)CSc1nnc(C2CCCCC2)o1,0,0.0,
+CC1CCCC(C)N1C(=O)CSc1nnc(CSc2ncccn2)n1C,0,0.0,
+CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)Cc2cccs2)s1,0,0.0,
+CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1,0,0.0,
+CC1CCCC(C)N1C(=O)CSc1nnnn1Cc1ccccc1,0,0.0,
+CC1CCCC(C)N1C(=O)Cn1c(=O)sc2ccccc21,0,0.0,
+CC1CCCC(C)N1C(=O)Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21,0,0.0,
+CC1CCCC(C)N1C(=O)Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21,0,0.0,
+CC1CCCC(C)N1C(=O)Nc1cccc(Cl)c1,0,0.0,
+CC1CCCC(C)N1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,0,0.0,
+CC1CCCC(C)N1C(=O)c1cc(-c2cccs2)on1,0,0.0,
+CC1CCCC(C)N1C(=O)c1cc(F)c(F)cc1Cl,0,0.0,
+CC1CCCC(C)N1CC(O)COc1ccc(Cl)cc1,1,100.0,1.0
+CC1CCCC(C)N1CCCNC(=O)Cn1cc2c(n1)CCCC2,0,0.0,
+CC1CCCC(C)N1CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,1,100.0,0.0
+CC1CCCC(C)N1CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+CC1CCCC(C)N1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CC1CCCC(C)N1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CC1CCCC(C)N1Cc1cn2ccccc2n1,0,0.0,
+CC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)CNCC2CCCO2)cc1,0,0.0,
+CC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CCOCC2)cc1,0,0.0,
+CC1CCCC(C)N1c1nnc(N)s1,0,0.0,
+CC1CCCC(C)N1c1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1,0,0.0,
+CC1CCCC(C2(O)C(=O)Nc3ccccc32)C1=O,0,0.0,
+CC1CCCC(N2C(=O)NC(NC(=O)c3ccco3)(C(F)(F)F)C2=O)C1C,0,0.0,
+CC1CCCC(N2CCN(C(=O)c3ccc(F)cc3)CC2)C1,0,0.0,
+CC1CCCC(NC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)C1C,0,0.0,
+CC1CCCC(NC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1C,0,0.0,
+CC1CCCC(NC(=O)CC2Nc3ccccc3NC2=O)C1C,0,0.0,
+CC1CCCC(NC(=O)CCn2c(=O)oc3ccccc32)C1C,0,0.0,
+CC1CCCC(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)C1C,0,0.0,
+CC1CCCC(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)C1C,0,0.0,
+CC1CCCC(NC(=O)COC(=O)Cc2cn3ccsc3n2)C1C,0,0.0,
+CC1CCCC(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1C,0,0.0,
+CC1CCCC(NC(=O)CSc2ncccc2C(=O)O)C1C,0,0.0,
+CC1CCCC(NC(=O)CSc2nccn2C)C1C,0,0.0,
+CC1CCCC(NC(=O)CSc2nnc(N)s2)C1C,0,0.0,
+CC1CCCC(NC(=O)CSc2nnnn2C)C1C,0,0.0,
+CC1CCCC(NC(=O)Cn2cc3c(n2)CCCCC3)C1C,0,0.0,
+CC1CCCC(NC(=O)c2ccc(CNc3c(N4CCCC4)c(=O)c3=O)cc2)C1C,0,0.0,
+CC1CCCC(NC(=O)c2ccc3c(=O)n(CC4CCCO4)c(=O)[nH]c3c2)C1C,0,0.0,
+CC1CCCC(NC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)C[S+]3[O-])C1C,0,0.0,
+CC1CCCC(NC(=O)c2n[nH]c(=O)c3ccccc23)C1C,0,0.0,
+CC1CCCC(NC2CCCCNC2=O)C1,0,0.0,
+CC1CCCC(NS(=O)(=O)c2ccc3c(c2)OCCO3)C1C,0,0.0,
+CC1CCCCC12NC(=O)N(CC(=O)NCCc1ccccn1)C2=O,0,0.0,
+CC1CCCCC12NC(=O)N(CC(=O)c1ccc[nH]1)C2=O,0,0.0,
+CC1CCCCC12NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O,0,0.0,
+CC1CCCCC1N1CCN(C(=O)c2cccc(F)c2)CC1,0,0.0,
+CC1CCCCC1N=CC1=C(O)CC(C)(C)CC1=O,0,0.0,
+CC1CCCCC1NC(=O)C1CCN(C(=O)NC2CCCCC2)CC1,0,0.0,
+CC1CCCCC1NC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1,0,0.0,
+CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1,0,0.0,
+CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1,0,0.0,
+CC1CCCCC1NC(=O)C1Cc2ccccc2CN1S(C)(=O)=O,0,0.0,
+CC1CCCCC1NC(=O)CC1Oc2ccccc2NC1=O,0,0.0,
+CC1CCCCC1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CC1CCCCC1NC(=O)CCS(=O)(=O)c1cccc2nonc12,0,0.0,
+CC1CCCCC1NC(=O)CCn1c(=O)oc2ccccc21,0,0.0,
+CC1CCCCC1NC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CC1CCCCC1NC(=O)CN1C(=O)NC(C)(c2ccc(OC(F)F)cc2)C1=O,0,0.0,
+CC1CCCCC1NC(=O)CN1CCC(O)(c2ccc(F)cc2)CC1,0,0.0,
+CC1CCCCC1NC(=O)CN1CCN(Cc2ccccc2Cl)C1=O,0,0.0,
+CC1CCCCC1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CC1CCCCC1NC(=O)COc1ccc(-n2cnnn2)cc1,0,0.0,
+CC1CCCCC1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1,0,0.0,
+CC1CCCCC1NC(=O)CSc1nnc(-c2ccccc2)n1N,0,0.0,
+CC1CCCCC1NC(=O)CSc1nnc(CN2CCOCC2)n1C,0,0.0,
+CC1CCCCC1NC(=O)CSc1nnc(COc2ccccc2Cl)o1,0,0.0,
+CC1CCCCC1NC(=O)CSc1nnc(N)s1,0,0.0,
+CC1CCCCC1NC(=O)CSc1nncs1,0,0.0,
+CC1CCCCC1NC(=O)CSc1nnnn1-c1ccccc1,0,0.0,
+CC1CCCCC1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O,0,0.0,
+CC1CCCCC1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O,0,0.0,
+CC1CCCCC1NC(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+CC1CCCCC1NC(=O)Cn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CC1CCCCC1NC(=O)Cn1ncc2ccccc21,0,0.0,
+CC1CCCCC1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1,0,0.0,
+CC1CCCCC1NC(=O)c1cc2c(s1)CS(=O)(=O)C2,0,0.0,
+CC1CCCCC1NC(=O)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1,0,0.0,
+CC1CCCCC1NC(=O)c1ccc(N2CCCC2=O)cc1,0,0.0,
+CC1CCCCC1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0.0,
+CC1CCCCC1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1,0,0.0,
+CC1CCCCC1NC(=O)c1cncc(Br)c1,0,0.0,
+CC1CCCCC1NC(=O)c1nn(C)c(=O)c2ccccc12,0,0.0,
+CC1CCCCC1NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1,0,0.0,
+CC1CCCCC1NS(=O)(=O)c1ccc(-n2cnnn2)cc1,0,0.0,
+CC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+CC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,0,0.0,
+CC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1,0,0.0,
+CC1CCCCC1n1c(=S)[nH]c2ccccc2c1=O,0,0.0,
+CC1CCCCN1C(=O)C12CCC(C)(/C(=N/O)C1)C2(C)C,0,0.0,
+CC1CCCCN1C(=O)C12CCC(C)(C(=O)C1)C2(C)C,0,0.0,
+CC1CCCCN1C(=O)C1CC(c2ccc(F)cc2)=NO1,0,0.0,
+CC1CCCCN1C(=O)CN1C(=O)CN(C)C(=O)c2ccccc21,0,0.0,
+CC1CCCCN1C(=O)COc1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+CC1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2cccs2)cs1,0,0.0,
+CC1CCCCN1C(=O)CSc1ccc(-c2ccc(F)cc2)nn1,0,0.0,
+CC1CCCCN1C(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1,0,0.0,
+CC1CCCCN1C(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1,0,0.0,
+CC1CCCCN1C(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc2c(c1)OCO2)OCO3,0,0.0,
+CC1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCc2ccccc21,0,0.0,
+CC1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccn1,0,0.0,
+CC1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1,0,0.0,
+CC1CCCCN1C(=O)CSc1nnc(-c2ccco2)n1CC1CCCO1,0,0.0,
+CC1CCCCN1C(=O)Cc1ccc(Cl)cc1,0,0.0,
+CC1CCCCN1C(=O)Cc1ccc(F)cc1,0,0.0,
+CC1CCCCN1C(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2sccc21,0,0.0,
+CC1CCCCN1C(=O)Cn1c(=O)oc2ccccc21,0,0.0,
+CC1CCCCN1C(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21,0,0.0,
+CC1CCCCN1C(=O)Cn1nnc(-c2cccnc2)n1,0,0.0,
+CC1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,0,0.0,
+CC1CCCCN1C(=O)Nc1cccc(Cl)c1,1,100.0,
+CC1CCCCN1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,0,0.0,
+CC1CCCCN1C(=O)c1cc(F)c(F)cc1Cl,0,0.0,
+CC1CCCCN1C(=O)c1ccc(C(=O)N2CCCCC2C)cc1,0,0.0,
+CC1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1,0,0.0,
+CC1CCCCN1C(=O)c1ccccc1NC(=O)c1ccco1,0,0.0,
+CC1CCCCN1C(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,0,0.0,
+CC1CCCCN1CC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CC1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCC2,0,0.0,
+CC1CCCCN1CC(=O)c1ccc2cc[nH]c2c1,0,0.0,
+CC1CCCCN1CCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1,1,100.0,1.0
+CC1CCCCN1CCCn1c(=S)[nH]c2ccccc2c1=O,0,0.0,
+CC1CCCCN1CCNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,1,100.0,0.0
+CC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+CC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+CC1CCCCN1CCNC(=O)CC1Oc2ccccc2NC1=O,0,0.0,
+CC1CCCCN1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CC1CCCCN1CCNC(=O)CN1C(=O)COc2ccccc21,0,0.0,
+CC1CCCCN1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CC1CCCCN1CCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1,1,100.0,1.0
+CC1CCCCN1CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,1,100.0,1.0
+CC1CCCCN1CCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1,0,0.0,
+CC1CCCCN1CCNC(=O)c1cnn2ccccc12,0,0.0,
+CC1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+CC1CCCCN1CCNc1nc(=S)[nH]c2ccccc12,0,0.0,
+CC1CCCCN1CCn1c(=S)[nH]c2ncccc2c1=O,0,0.0,
+CC1CCCCN1CCn1cnc2c([nH]c3ccccc32)c1=O,1,100.0,1.0
+CC1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1,0,0.0,
+CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl,0,0.0,
+CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12,0,0.0,
+CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1,0,0.0,
+CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,0,0.0,
+CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1,0,0.0,
+CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,0,0.0,
+CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1,0,0.0,
+CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,0,0.0,
+CC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1,0,0.0,
+CC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O,0,0.0,
+CC1CCCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)O,0,0.0,
+CC1CCCCN1S(=O)(=O)c1cccc2cccnc12,0,0.0,
+CC1CCCCN1S(=O)(=O)c1coc(C(N)=O)c1,0,0.0,
+CC1CCCCN1c1nc(-c2ccncc2)nc2ccccc12,0,0.0,
+CC1CCCCN1c1nnc(N)s1,0,0.0,
+CC1CCCCN1c1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1,0,0.0,
+CC1CCCN(C(=O)C(Cc2ccccc2)n2cccc2)C1,0,0.0,
+CC1CCCN(C(=O)C23CCC(C)(C(=O)C2)C3(C)C)C1,0,0.0,
+CC1CCCN(C(=O)C2CCN(CC3CC=CCC3)CC2)C1,0,0.0,
+CC1CCCN(C(=O)C2CCN(CCCc3ccccc3)CC2)C1,0,0.0,
+CC1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)C1,0,0.0,
+CC1CCCN(C(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)C1,0,0.0,
+CC1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1,0,0.0,
+CC1CCCN(C(=O)CN2CCN(C(=O)c3ccco3)CC2)C1,0,0.0,
+CC1CCCN(C(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1,0,0.0,
+CC1CCCN(C(=O)COC(=O)c2n[nH]c3ccccc23)C1,1,100.0,0.0
+CC1CCCN(C(=O)CSCC(=O)N=c2sc3ccccc3n2C)C1,0,0.0,
+CC1CCCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)C1,0,0.0,
+CC1CCCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C1,0,0.0,
+CC1CCCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)C1,0,0.0,
+CC1CCCN(C(=O)CSc2nnc(-c3cccnc3)n2C2CCCCC2)C1,0,0.0,
+CC1CCCN(C(=O)CSc2nnc3n(C4CCCC4)c(=O)c4ccccc4n23)C1,0,0.0,
+CC1CCCN(C(=O)Cc2ccc(F)cc2)C1,0,0.0,
+CC1CCCN(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)C1,0,0.0,
+CC1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1,0,0.0,
+CC1CCCN(C(=O)Cn2nnc(-c3cccnc3)n2)C1,0,0.0,
+CC1CCCN(C(=O)Nc2cccc(NC(=O)N3CCCC(C)C3C)c2)C1C,0,0.0,
+CC1CCCN(C(=O)c2cc(F)c(F)cc2Cl)C1,0,0.0,
+CC1CCCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)C1,0,0.0,
+CC1CCCN(C(=O)c2ccc3c(c2)C(=O)N(CCC2=CCCCC2)C3=O)C1,0,0.0,
+CC1CCCN(C(=O)c2ccc3nc[nH]c3c2)C1,0,0.0,
+CC1CCCN(C(=O)c2ccncc2)C1,0,0.0,
+CC1CCCN(C(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1,0,0.0,
+CC1CCCN(C(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)C1,1,100.0,1.0
+CC1CCCN(C(c2ccccc2)c2sc3ncnn3c2O)C1,0,0.0,
+CC1CCCN(C/C(O)=C(\C#N)c2nc3ccccc3[nH]2)C1,1,100.0,
+CC1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1,1,100.0,1.0
+CC1CCCN(CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1,0,0.0,
+CC1CCCN(CC(O)COc2ccc(Cl)cc2)C1,0,0.0,
+CC1CCCN(CCC(=O)c2ccc(Br)cc2)C1,1,100.0,0.0
+CC1CCCN(CCCNC(=O)C2CC(=O)N(c3ccc(F)c(Cl)c3)C2)C1,0,0.0,
+CC1CCCN(CCCNC(=O)CCn2nc(-c3ccccc3)ccc2=O)C1,0,0.0,
+CC1CCCN(CCCNC(=O)c2coc3nc4ccccc4nc23)C1,1,100.0,1.0
+CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)c2ccccc2)C1,0,0.0,
+CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C1,0,0.0,
+CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)C1,0,0.0,
+CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)C1,0,0.0,
+CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1,1,100.0,0.0
+CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)C1,0,0.0,
+CC1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1,0,0.0,
+CC1CCCN(S(=O)(=O)c2ccc(Br)s2)C1,0,0.0,
+CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccc4Cl)o3)cc2)C1,0,0.0,
+CC1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(C)CC3)cc2)C1,0,0.0,
+CC1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4F)n3)cc2)C1,0,0.0,
+CC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)C1,0,0.0,
+CC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCN(Cc4ccccc4)C3)cc2)C1,0,0.0,
+CC1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)C1,0,0.0,
+CC1CCCN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)C1,0,0.0,
+CC1CCCN(S(=O)(=O)c2coc(C(N)=O)c2)C1,0,0.0,
+CC1CCCN(c2ccc(C(=O)NCC3CCCO3)cn2)C1,0,0.0,
+CC1CCCN(c2ccc(C(=O)NCCc3ccccc3)cn2)C1,0,0.0,
+CC1CCCN(c2ccc(C(=O)NCc3cccs3)cn2)C1,0,0.0,
+CC1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)C1,0,0.0,
+CC1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)C1,0,0.0,
+CC1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2ncccn2)C1,0,0.0,
+CC1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)C1,0,0.0,
+CC1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3o2)C1,0,0.0,
+CC1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3s2)C1,0,0.0,
+CC1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)C1,0,0.0,
+CC1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)C1,0,0.0,
+CC1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccccc2)C1,0,0.0,
+CC1CCCN(c2nc3ccsc3c(=O)s2)C1,1,100.0,1.0
+CC1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1,0,0.0,
+CC1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1,0,0.0,
+CC1CCCN(c2oc(-c3cccc4ccccc34)nc2C#N)C1,0,0.0,
+CC1CCCc2sc3nc(N4CCN(CCO)CC4)n4ncnc4c3c21,0,0.0,
+CC1CCCc2sc3nc(NCc4ccco4)n4ncnc4c3c21,0,0.0,
+CC1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1,0,0.0,
+CC1CCN(C(=O)C(Cc2ccccc2)n2cccc2)CC1,0,0.0,
+CC1CCN(C(=O)C(NS(=O)(=O)c2cccc3nsnc23)c2ccccc2)CC1,0,0.0,
+CC1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,0,0.0,
+CC1CCN(C(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)CC1,0,0.0,
+CC1CCN(C(=O)C2CCCN(S(C)(=O)=O)C2)CC1,0,0.0,
+CC1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3Cc3ccc(F)cc3)CC2)CC1,0,0.0,
+CC1CCN(C(=O)C2CCN(CCCc3ccccc3)CC2)CC1,0,0.0,
+CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1,0,0.0,
+CC1CCN(C(=O)C2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CC1CCN(C(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)CC1,0,0.0,
+CC1CCN(C(=O)CCCOc2cc(=O)n(C)c3ccccc23)CC1,0,0.0,
+CC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1,0,0.0,
+CC1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1,0,0.0,
+CC1CCN(C(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+CC1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1,0,0.0,
+CC1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1,0,0.0,
+CC1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1,0,0.0,
+CC1CCN(C(=O)CN2C(=O)C(=O)c3ccccc32)CC1,0,0.0,
+CC1CCN(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC4CCCC4)cc32)CC1,0,0.0,
+CC1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1,0,0.0,
+CC1CCN(C(=O)CNC(=O)Cn2ccc3ccccc3c2=O)CC1,0,0.0,
+CC1CCN(C(=O)COC(=O)c2cc3ccccc3cc2O)CC1,0,0.0,
+CC1CCN(C(=O)COC(=O)c2n[nH]c3ccccc23)CC1,0,0.0,
+CC1CCN(C(=O)COc2ccccc2F)CC1,0,0.0,
+CC1CCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2ccc(-c3ccc(F)cc3)nn2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nc(N)c3c4c(sc3n2)CN(C)CC4)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nc(N)cc(N)n2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nc3cccnc3n2C)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2Cc2ccco2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(-c3cccnc3)n2C2CCCCC2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(-c3ccco3)o2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(CNC(=O)c3ccco3)o2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(CSc3ncccn3)n2C)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccc(Cl)cc2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(Cc3ccccc3)o2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)CC1,0,0.0,
+CC1CCN(C(=O)CSc2nncn2-c2ccccn2)CC1,0,0.0,
+CC1CCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)CC1,0,0.0,
+CC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1,0,0.0,
+CC1CCN(C(=O)Cn2c(SCC(=O)Nc3nccs3)nc3ccccc32)CC1,0,0.0,
+CC1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1,0,0.0,
+CC1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1,0,0.0,
+CC1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CC1,0,0.0,
+CC1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1,0,0.0,
+CC1CCN(C(=O)Nc2cccc(NC(=O)N3CCC(C)CC3)c2)CC1,0,0.0,
+CC1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)CC1,0,0.0,
+CC1CCN(C(=O)c2cc(-c3ccccc3O)on2)CC1,0,0.0,
+CC1CCN(C(=O)c2cc3ccccc3o2)CC1,0,0.0,
+CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1,0,0.0,
+CC1CCN(C(=O)c2ccc(COc3ccccc3Cl)o2)CC1,0,0.0,
+CC1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1,0,0.0,
+CC1CCN(C(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1,0,0.0,
+CC1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1,0,0.0,
+CC1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1,0,0.0,
+CC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1,0,0.0,
+CC1CCN(C(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1,0,0.0,
+CC1CCN(C(=O)c2scc3c2OCCO3)CC1,0,0.0,
+CC1CCN(C(=S)c2ccccc2O)CC1,0,0.0,
+CC1CCN(C(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)CC1,0,0.0,
+CC1CCN(C(c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2CC2CCCO2)CC1,0,0.0,
+CC1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2C(C)(C)C)CC1,0,0.0,
+CC1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2Cc2ccc(F)cc2)CC1,0,0.0,
+CC1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2Cc2ccccc2)CC1,0,0.0,
+CC1CCN(C(c2ccccc2)c2nnnn2C(C)(C)C)CC1,0,0.0,
+CC1CCN(C2CC(=O)N(c3ccc(Br)cc3Br)C2=O)CC1,0,0.0,
+CC1CCN(CC(=O)NCc2ccccc2)CC1,0,0.0,
+CC1CCN(CC(=O)Nc2ccccc2C#N)CC1,0,0.0,
+CC1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1,0,0.0,
+CC1CCN(CC(C)OC(=O)c2ccc3c(c2)OCCO3)CC1,1,100.0,1.0
+CC1CCN(CC(O)COC2CCC(C(C)(C)C)CC2)CC1,1,100.0,0.0
+CC1CCN(CC(O)COc2ccc(F)cc2)CC1,0,0.0,
+CC1CCN(CC(O)COc2cccc(F)c2)CC1,0,0.0,
+CC1CCN(CCC(=O)N2CCCc3c2c(=O)oc2ccc(O)cc32)CC1,0,0.0,
+CC1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1,0,0.0,
+CC1CCN(CCCNC(=O)C2CC(=O)N(C3CCCCCC3)C2)CC1,0,0.0,
+CC1CCN(CCCNC(=O)C2CCC(=O)N2C2CCCC2)CC1,0,0.0,
+CC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1,0,0.0,
+CC1CCN(CCCNC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)CC1,0,0.0,
+CC1CCN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)CC1,0,0.0,
+CC1CCN(CCCNC(=O)Cc2c(C(=O)O)n(C)c3ccccc23)CC1,0,0.0,
+CC1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,0,0.0,
+CC1CCN(CCCNC(=O)c2cc3sccc3n2C)CC1,0,0.0,
+CC1CCN(CCCNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)CC1,0,0.0,
+CC1CCN(CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)CC1,0,0.0,
+CC1CCN(CCCNC(=O)c2coc3nc4ccccc4nc23)CC1,1,100.0,1.0
+CC1CCN(CCCNC(=O)c2n[nH]c(=O)c3ccccc23)CC1,0,0.0,
+CC1CCN(CCCn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)CC1,0,0.0,
+CC1CCN(CCCn2c(=S)[nH]c3ccccc3c2=O)CC1,0,0.0,
+CC1CCN(CCNC(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)CC1,0,0.0,
+CC1CCN(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)CC1,0,0.0,
+CC1CCN(CCNC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+CC1CCN(CCNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1,0,0.0,
+CC1CCN(CCNC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)CC1,0,0.0,
+CC1CCN(CCc2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)CC1,1,100.0,1.0
+CC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)CC1,1,100.0,1.0
+CC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3n2C)CC1,1,100.0,1.0
+CC1CCN(CCn2c(=S)[nH]c3ncccc3c2=O)CC1,0,0.0,
+CC1CCN(Cc2c(C#N)c3ccccc3n2C)CC1,0,0.0,
+CC1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1,0,0.0,
+CC1CCN(Cc2ccc(NC(=O)C3CCN(c4nnc(-n5cccc5)s4)CC3)cc2)CC1,1,100.0,1.0
+CC1CCN(Cc2ccc(NC(=O)CC3Oc4ccccc4NC3=O)cc2)CC1,1,100.0,1.0
+CC1CCN(Cc2nc(-c3ccccc3)no2)CC1,0,0.0,
+CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1,0,0.0,
+CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)CC1,0,0.0,
+CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1,0,0.0,
+CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1,0,0.0,
+CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,0,0.0,
+CC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1,0,0.0,
+CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCC(N(C)CC4CCCO4)CC3)CC2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)N2CCC(C(=O)NCc3cccs3)CC2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)NC3=NCCS3)c2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(-c3nnc(SCc4cccnc4)o3)cc2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(C)CC3)cc2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(c4ccccc4)CC3)cc2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ncccc3C(=O)O)cc2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)cc2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN4CCCC4C3)cc2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(=O)C(C)(C)C)cc2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC3COCCO3)cc2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)O)c3c2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCN4CCOCC4)c(=O)c3c2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)N2CCCCC2)cn3C)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)NC2CCCC2)cn3C)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2c3ccccc3CC2C)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)NCc2ccc3c(c2)OCO3)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N(C)Cc4ccccc4)c(=O)c3c2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2cccc(-c3nnc(-c4cccnc4)o3)c2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2cccc(C(=O)N(C)C3CCS(=O)(=O)C3)c2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1,0,0.0,
+CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCN(C)CC3)c(=O)c3ccccc23)CC1,0,0.0,
+CC1CCN(c2[nH]c(=S)c(C#N)c3c2CCCC3)CC1,0,0.0,
+CC1CCN(c2c(NCc3ccc(C(=O)N4c5ccccc5CC4C)cc3)c(=O)c2=O)CC1,0,0.0,
+CC1CCN(c2c(NCc3ccc(C(=O)NCC4COc5ccccc5O4)cc3)c(=O)c2=O)CC1,0,0.0,
+CC1CCN(c2c(NCc3ccc(C(=O)NCc4cccnc4)cc3)c(=O)c2=O)CC1,0,0.0,
+CC1CCN(c2ccc(C(=O)NCCc3ccccc3)cn2)CC1,0,0.0,
+CC1CCN(c2ccc(C(=O)NCc3cccs3)cn2)CC1,0,0.0,
+CC1CCN(c2ccc(C(=O)O)cc2)CC1,0,0.0,
+CC1CCN(c2ccc(C(=O)O)cc2N)CC1,0,0.0,
+CC1CCN(c2ccc(NC(=O)c3cccnc3)cc2)CC1,0,0.0,
+CC1CCN(c2ccccc2N)CC1,0,0.0,
+CC1CCN(c2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)CC1,0,0.0,
+CC1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1,0,0.0,
+CC1CCN(c2nc(-c3ccco3)c3c(c2C#N)CC(C)(C)OC3)CC1,0,0.0,
+CC1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1,0,0.0,
+CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1,0,0.0,
+CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)CC1,0,0.0,
+CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2ncccn2)CC1,0,0.0,
+CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)CC1,0,0.0,
+CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1,0,0.0,
+CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3o2)CC1,0,0.0,
+CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1,0,0.0,
+CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)CC1,0,0.0,
+CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1,0,0.0,
+CC1CCN(c2nc3ccc(C(=O)O)cc3s2)CC1,0,0.0,
+CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC1,0,0.0,
+CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1,1,100.0,
+CC1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CC1CCN(c2ncccc2C(=O)O)CC1,0,0.0,
+CC1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,0,0.0,
+CC1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1,0,0.0,
+CC1CCN(c2nnc(N)s2)CC1,0,0.0,
+CC1CCN(c2nnc(N3CCC(C)CC3)c3ccccc23)CC1,0,0.0,
+CC1CCN(c2nncc3ccccc23)CC1,0,0.0,
+CC1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1,0,0.0,
+CC1CCN(c2oc(-c3ccccc3Cl)nc2C#N)CC1,0,0.0,
+CC1CCN(c2oc(-c3ccccc3F)nc2C#N)CC1,0,0.0,
+CC1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1,0,0.0,
+CC1CCN2c3nc4ccccn4c(=O)c3CC3(C(=O)N(C)C(=O)N(C)C3=O)C2C1,0,0.0,
+CC1CCOC2(O1)C(=O)N(CN1CCN(c3ccccc3F)CC1)c1ccccc12,0,0.0,
+CC1CCc2[nH]nc(C(=O)O)c2C1,0,0.0,
+CC1CCc2c(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)csc2C1,0,0.0,
+CC1CCc2c(C(=O)NCC3CCCO3)csc2C1,0,0.0,
+CC1CCc2c(C(=O)NCCCN3CCOCC3)csc2C1,0,0.0,
+CC1CCc2c(C(=O)NCCN3CCOCC3)csc2C1,0,0.0,
+CC1CCc2c(C(=O)Oc3cccc(-n4cnnn4)c3)csc2C1,0,0.0,
+CC1CCc2c(nc3ncnn3c2N2CC(C)OC(C)C2)C1,0,0.0,
+CC1CCc2c(nc3ncnn3c2N2CCN(c3ccccc3)CC2)C1,0,0.0,
+CC1CCc2c(nc3ncnn3c2N2CCN(c3ccccc3F)CC2)C1,0,0.0,
+CC1CCc2c(sc(N)c2C(N)=O)C1,0,0.0,
+CC1CCc2c(sc(NC(=O)c3ccc(Cn4cc(Br)cn4)o3)c2C(N)=O)C1,0,0.0,
+CC1CCc2c(sc(NC(=O)c3noc4c3CCCC4)c2C(N)=O)C1,0,0.0,
+CC1CCc2c(sc3c2C2=NS(=O)(=O)CCN2C=N3)C1,0,0.0,
+CC1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCc4ccco4)c23)C1,0,0.0,
+CC1CCc2c(sc3nc(SCC(=O)NCc4ccco4)nc(N)c23)C1,0,0.0,
+CC1CCc2c(sc3nc(SCc4nc(-c5ccccc5)no4)n(C)c(=O)c23)C1,0,0.0,
+CC1CCc2c(sc3ncn4c(SCC(=O)NCc5ccco5)nnc4c23)C1,0,0.0,
+CC1CCc2c(sc3ncnc(N4CCOCC4)c23)C1,0,0.0,
+CC1CCc2c(sc3ncnc(NCCN4CCOCC4)c23)C1,0,0.0,
+CC1CCc2c(sc3ncnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)c23)C1,0,0.0,
+CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23,0,0.0,
+CC1CCc2cc(F)cc3c(O)c(C(=O)NCC4CCCO4)c(=O)n1c23,0,0.0,
+CC1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccco4)c(=O)n1c23,0,0.0,
+CC1CCc2cc(F)cc3c(O)c(C(=O)Nc4cnccn4)c(=O)n1c23,0,0.0,
+CC1CCc2cc(F)ccc2N1C(=O)CCC(=O)O,0,0.0,
+CC1CCc2cc(F)ccc2N1C(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+CC1CCc2cc(F)ccc2N1C(=O)CSc1nnc(-c2cccs2)n1C,1,100.0,0.0
+CC1CCc2cc(F)ccc2N1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,0,0.0,
+CC1CCc2cc(F)ccc2N1C(=O)c1ccc2c(c1)OCO2,0,0.0,
+CC1CCc2ccc(F)cc2N1S(=O)(=O)c1cccs1,0,0.0,
+CC1CCc2cccc3c2N1c1cc(C#N)c(C#N)cc1O3,0,0.0,
+CC1CCc2ccccc2N1C(=O)c1cccs1,0,0.0,
+CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1,0,0.0,
+CC1CCc2nc(NC(=O)C3CCCO3)sc2C1,0,0.0,
+CC1CCc2nc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)sc2C1,0,0.0,
+CC1CCc2nc(NC(=O)CN3CCN(c4ccccc4)CC3)sc2C1,0,0.0,
+CC1CCc2nc(NC(=O)CN3CCOCC3)sc2C1,1,100.0,0.0
+CC1CCc2nc(NC(=O)CSc3nc4ccccc4o3)sc2C1,0,0.0,
+CC1CCc2nc(NC(=O)Cc3cccs3)sc2C1,0,0.0,
+CC1CCc2nc(NC(=O)c3cc(C(C)(C)C)nn3C)sc2C1,0,0.0,
+CC1CCc2nc(NC(=O)c3ccco3)sc2C1,0,0.0,
+CC1CCc2nc(NCCO)nc(C(F)(F)F)c2C1,0,0.0,
+CC1CCc2nc(S(C)(=O)=O)nc(C(F)(F)F)c2C1,0,0.0,
+CC1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NC5CCCC5)CC4)cc3c(C(=O)O)c2C1,0,0.0,
+CC1CCc2nn(CC(=O)N3CCCCCC3)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)NC3CCCC(C)C3C)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)NC3CCCC3)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)NCCC3=CCCCC3)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)NCCCN3CCCC3=O)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)NCCCN3CCCCC3)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)NCCCN3CCOCC3)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)NCCN3CCCCC3C)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)NCCN3CCOCC3)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)NCc3ccc(F)cc3)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)NCc3ccc4c(c3)OCO4)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)NCc3ccco3)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)Nc3c(F)cc(F)cc3Br)cc2C1,0,0.0,
+CC1CCc2nn(CC(=O)Nc3ccc(F)cc3F)cc2C1,0,0.0,
+CC1CCc2sc3c(c2C1)c1ncnn1c(=O)n3CC(=O)c1ccc(Br)cc1,0,0.0,
+CC1CCc2sc3nc(N4CCN(CCO)CC4)n4ncnc4c3c2C1,0,0.0,
+CC1CCc2sc3nc(NCc4ccco4)n4ncnc4c3c2C1,0,0.0,
+CC1CCc2sc3ncnc(N4CCOCC4)c3c2C1,0,0.0,
+CC1CN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC(C)O1,0,0.0,
+CC1CN(C(=O)C(C)Sc2nc3ccccc3s2)CC(C)O1,0,0.0,
+CC1CN(C(=O)C2CCCCC2)C(C)CN1C(=O)C1CCCCC1,0,0.0,
+CC1CN(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC(C)O1,0,0.0,
+CC1CN(C(=O)CCn2c(=O)oc3ccccc32)CC(C)O1,0,0.0,
+CC1CN(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)CC(C)O1,0,0.0,
+CC1CN(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)CC(C)O1,0,0.0,
+CC1CN(C(=O)CN2C(=O)c3ccccc3C2=O)CC(C)O1,0,0.0,
+CC1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC(C)O1,0,0.0,
+CC1CN(C(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)CC(C)O1,0,0.0,
+CC1CN(C(=O)COC(=O)c2cccs2)CC(C)O1,0,0.0,
+CC1CN(C(=O)CSc2nc3cc(Cl)ccc3o2)CC(C)O1,0,0.0,
+CC1CN(C(=O)CSc2ncnc3sccc23)CC(C)O1,0,0.0,
+CC1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)CC(C)O1,0,0.0,
+CC1CN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)CC(C)O1,0,0.0,
+CC1CN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC(C)O1,0,0.0,
+CC1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC(C)O1,0,0.0,
+CC1CN(C(=O)N(C)C)CCN1C(=O)N(C)C,0,0.0,
+CC1CN(C(=O)N2c3ccccc3Sc3ccccc32)C(C)CC1=O,0,0.0,
+CC1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC(C)O1,0,0.0,
+CC1CN(C(=O)Nc2ccc3snnc3c2)c2ccccc21,0,0.0,
+CC1CN(C(=O)c2cc(F)c(F)cc2Cl)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2cc3c(s2)CCC3)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2cc3ccccc3oc2=O)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2ccc(COCC(F)(F)F)o2)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2ccc3c(c2)OCO3)OC(c2ccccc2)O1,0,0.0,
+CC1CN(C(=O)c2cccc(C(=O)N3CC(C)OC(C)C3)c2)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2ccccc2)OC(c2ccc3c(c2)OCO3)O1,0,0.0,
+CC1CN(C(=O)c2ccccc2C(=O)c2ncc[nH]2)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2cccs2)CCN1C(=O)c1cccs1,0,0.0,
+CC1CN(C(=O)c2ccncc2)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2cn3ccccc3n2)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)CC(C)O1,0,0.0,
+CC1CN(C(=O)c2scc3c2OCCO3)CC(C)O1,0,0.0,
+CC1CN(C(c2ccco2)c2sc3ncnn3c2O)CC(C)O1,0,0.0,
+CC1CN(C(c2cccs2)c2sc3ncnn3c2O)CC(C)O1,0,0.0,
+CC1CN(C)C(C)CC1NCc1ccc2c(c1)OCO2,0,0.0,
+CC1CN(C2CC(C)(C)NC(C)(C)C2)CCC1=O,0,0.0,
+CC1CN(C2CCCCC2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1,0,0.0,
+CC1CN(C2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1,0,0.0,
+CC1CN(C2CCN(C(=O)COc3ccccc3)CC2)CC(C)O1,0,0.0,
+CC1CN(C2CCN(C(=O)c3ccccc3)CC2)CC(C)O1,0,0.0,
+CC1CN(C2CCN(C(=O)c3ccccc3Cl)CC2)CC(C)O1,0,0.0,
+CC1CN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC(C)O1,0,0.0,
+CC1CN(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC(C)O1,0,0.0,
+CC1CN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC(C)O1,0,0.0,
+CC1CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC(C)O1,0,0.0,
+CC1CN(CC(O)COc2ccc(C(=O)c3ccccc3)cc2)CC(C)O1,0,0.0,
+CC1CN(CC(O)COc2ccc(C(C)C)cc2)CC(C)O1,0,0.0,
+CC1CN(CC(O)COc2ccccc2C(C)(C)C)CC(C)O1,0,0.0,
+CC1CN(CCC(=O)Nc2ccc3c(c2)CCC3)CC(C)O1,0,0.0,
+CC1CN(CCC(=O)Nc2ccc3c(c2)OCO3)CC(C)O1,0,0.0,
+CC1CN(CCc2ccccc2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1,0,0.0,
+CC1CN(Cc2cc(=O)n3ccsc3n2)CC(C)O1,0,0.0,
+CC1CN(Cc2ccc(C#N)cc2Cl)CC(C)O1,0,0.0,
+CC1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(N)=O)CC(C)O1,0,0.0,
+CC1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC(C)O1,0,0.0,
+CC1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCN2CCOCC2)CC(C)O1,0,0.0,
+CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)c2ccccc2)CC(C)O1,0,0.0,
+CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(O)CO)CC(C)O1,0,0.0,
+CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCO)CC(C)O1,0,0.0,
+CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC(C)O1,0,0.0,
+CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)CC(C)O1,0,0.0,
+CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC(C)O1,0,0.0,
+CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)CC(C)O1,0,0.0,
+CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)CC(C)O1,0,0.0,
+CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC(C)O1,0,0.0,
+CC1CN(O)C2CCc3nonc3C12O,0,0.0,
+CC1CN(S(=O)(=O)Cc2ccccc2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)cc2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc5c(c4)CCCC5)o3)cc2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(C)C4)cc2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4O)n[nH]3)cc2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2cccc(-c3cn4ccccc4n3)c2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2cccc(C(=O)OCc3cc(=O)oc4cc(O)ccc34)c2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2ccccc2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2cccs2)CC(C)O1,0,0.0,
+CC1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC(C)O1,0,0.0,
+CC1CN(c2c3c(nc4ncnn24)CCCC3)CC(C)O1,0,0.0,
+CC1CN(c2cc(=O)n(-c3cccc(Br)c3)c(=O)[nH]2)CC(C)O1,0,0.0,
+CC1CN(c2cc(=O)n(-c3ccccc3)c(=O)[nH]2)CC(C)O1,0,0.0,
+CC1CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC(C)O1,0,0.0,
+CC1CN(c2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1,0,0.0,
+CC1CN(c2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1,0,0.0,
+CC1CN(c2ccccc2)C(=O)CS1,0,0.0,
+CC1CN(c2nc(-c3ccccc3)nc3ccccc23)CC(C)O1,0,0.0,
+CC1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC(C)O1,0,0.0,
+CC1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(Cl)cccc2Cl)CC(C)O1,1,100.0,
+CC1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)CC(C)O1,0,0.0,
+CC1CN(c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)CC(C)O1,0,0.0,
+CC1CN(c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)CC(C)O1,0,0.0,
+CC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC(C)O1,0,0.0,
+CC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc3c(c2)OCO3)CC(C)O1,0,0.0,
+CC1CN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC(C)O1,0,0.0,
+CC1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)CC(C)O1,0,0.0,
+CC1CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC(C)O1,0,0.0,
+CC1CN(c2ncnc3c2oc2ccccc23)CC(C)O1,0,0.0,
+CC1CN(c2nn3c(=O)c4ccccc4nc3c3ccccc23)CC(C)O1,0,0.0,
+CC1CN(c2nnnn2-c2ccccc2)CC(C)O1,0,0.0,
+CC1CN(c2oc(-c3ccccc3Cl)nc2C#N)CC(C)O1,0,0.0,
+CC1CN(c2oc(-c3ccco3)nc2C#N)CC(C)O1,0,0.0,
+CC1CN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC(C)O1,0,0.0,
+CC1CN(c2oc(-c3cccs3)nc2C#N)CC(C)O1,0,0.0,
+CC1CN(c2oc(COc3ccc(Cl)cc3Cl)nc2C#N)CC(C)O1,0,0.0,
+CC1CN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC(C)O1,0,0.0,
+CC1CN=C(N(C(=O)Nc2ccccc2)c2ccc(S(=O)(=O)N3CCOCC3)cc2)S1,0,0.0,
+CC1CN=C(NC2CCCCC2C)S1,0,0.0,
+CC1CN=C(NCc2ccncc2)S1,0,0.0,
+CC1CN=C(Nc2ccc(N(C)C)cc2)S1,1,100.0,0.0
+CC1CN=C(Nc2cccc3ccccc23)S1,0,0.0,
+CC1CN=C(Nc2ccccc2)S1,0,0.0,
+CC1CN=C(c2cccn2Cc2ccc(F)cc2Cl)O1,0,0.0,
+CC1CNCCN1S(=O)(=O)c1cccc2cnccc12,0,0.0,
+CC1COC(c2cccn2Cc2ccccc2Cl)=N1,0,0.0,
+CC1COC2C(O1)N(S(C)(=O)=O)CCN2S(C)(=O)=O,0,0.0,
+CC1CSc2nnc(CCc3ccccc3)n21,0,0.0,
+CC1C[C@@]2(NC(=O)NC2=O)C(C)CN1C,0,0.0,
+CC1Cc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc2N1S(C)(=O)=O,0,0.0,
+CC1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CC4CCCO4)C3c3ccco3)ccc2O1,0,0.0,
+CC1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCN(C)C)C3c3ccncc3)ccc2O1,0,0.0,
+CC1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)C3c3ccco3)ccc2O1,0,0.0,
+CC1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)C3c3cccc(Cl)c3)ccc2O1,0,0.0,
+CC1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCN4CCOCC4)C3c3cccc(O)c3)ccc2O1,0,0.0,
+CC1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4ccco4)C3c3cccs3)ccc2O1,0,0.0,
+CC1Cc2cc(/C(O)=C3\C(=O)C(=O)N(CCN(C)C)C3c3ccccc3F)ccc2O1,0,0.0,
+CC1Cc2cc(/C(O)=C3\C(=O)C(=O)N(CCN4CCOCC4)C3c3ccccc3F)ccc2O1,0,0.0,
+CC1Cc2cc(C(=O)O)ccc2O1,0,0.0,
+CC1Cc2cc(C3(O)C(=O)c4ccccc4C3=O)ccc2N1,0,0.0,
+CC1Cc2ccccc2C(=O)N1,0,0.0,
+CC1Cc2ccccc2N1C(=O)C12CCC(C)(C(=O)C1)C2(C)C,0,0.0,
+CC1Cc2ccccc2N1C(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+CC1Cc2ccccc2N1C(=O)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,0,0.0,
+CC1Cc2ccccc2N1C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CC1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+CC1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+CC1Cc2ccccc2N1C(=O)CCN1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+CC1Cc2ccccc2N1C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,0,0.0,
+CC1Cc2ccccc2N1C(=O)CCNS(=O)(=O)c1cccc2nsnc12,0,0.0,
+CC1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1cccc2nonc12,0,0.0,
+CC1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1cccs1,0,0.0,
+CC1Cc2ccccc2N1C(=O)CCn1c(=O)sc2ccccc21,0,0.0,
+CC1Cc2ccccc2N1C(=O)CN1C(=O)CN(C)C(=O)c2ccccc21,0,0.0,
+CC1Cc2ccccc2N1C(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O,0,0.0,
+CC1Cc2ccccc2N1C(=O)CN1CCc2ccccc2C1,0,0.0,
+CC1Cc2ccccc2N1C(=O)COC(=O)C1=COCCO1,0,0.0,
+CC1Cc2ccccc2N1C(=O)COC(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+CC1Cc2ccccc2N1C(=O)COC(=O)Cn1nnc(-c2ccccc2)n1,0,0.0,
+CC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+CC1Cc2ccccc2N1C(=O)COc1cccc(-n2cnnn2)c1,0,0.0,
+CC1Cc2ccccc2N1C(=O)COc1nc2ccccc2nc1N1CCOCC1,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSC1=NCCS1,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSCC(=O)O,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCOCC1,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nc2ccccc2o1,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1ncccc1C(=O)O,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nnc(CNc2ccccc2)o1,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nnc(CSc2ncccn2)n1C,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nnc(Cn2nnc3ccccc32)n1C,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)Cc2cccs2)s1,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nnc2c(n1)[nH]c1ccccc12,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nnc2sc3ccccc3n12,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2,0,0.0,
+CC1Cc2ccccc2N1C(=O)CSc1nnnn1Cc1ccccc1,0,0.0,
+CC1Cc2ccccc2N1C(=O)Cc1cccs1,0,0.0,
+CC1Cc2ccccc2N1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+CC1Cc2ccccc2N1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCC3)ccc21,0,0.0,
+CC1Cc2ccccc2N1C(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+CC1Cc2ccccc2N1C(=O)Cn1nc(C(=O)O)c2ccccc2c1=O,0,0.0,
+CC1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2NC(=O)C2CCC2)n1,0,0.0,
+CC1Cc2ccccc2N1C(=O)c1cc2c(=O)n3ccccc3nc2n1C,0,0.0,
+CC1Cc2ccccc2N1C(=O)c1ccc2c(c1)nnn2C,0,0.0,
+CC1Cc2ccccc2N1C(=O)c1ccc2snnc2c1,0,0.0,
+CC1Cc2ccccc2N1C(=O)c1cccnc1,0,0.0,
+CC1Cc2ccccc2N1C(=O)c1ccnc(C(C)(C)C)c1,0,0.0,
+CC1Cc2ccccc2N1C(=O)c1cnc2ccccn2c1=O,0,0.0,
+CC1Cc2ccccc2N1C(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+CC1Cc2ccccc2N1C(=O)c1cnsn1,0,0.0,
+CC1Cc2ccccc2N1C1=NS(=O)(=O)c2ccccc21,0,0.0,
+CC1Cc2ccccc2N1CC(=O)NC(=O)NCc1ccco1,1,100.0,0.0
+CC1Cc2ccccc2N1Cc1cc(=O)n2ccsc2n1,0,0.0,
+CC1Cc2ccccc2N1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1,0,0.0,
+CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,0,0.0,
+CC1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,0,0.0,
+CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NC2CC2)c1,0,0.0,
+CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCO)c1,0,0.0,
+CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCS(=O)(=O)C2)c1,0,0.0,
+CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)c2nccn2C)c1,0,0.0,
+CC1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CC1Cc2ccccc2N1S(=O)(=O)c1cccs1,0,0.0,
+CC1Cc2ccccc2N1S(=O)(=O)c1cnc[nH]1,0,0.0,
+CC1Cc2ccccc2N1c1ncnc2c1nnn2Cc1ccccc1,0,0.0,
+CC1Cc2ccccc2N1c1ncnc2nc[nH]c12,0,0.0,
+CC1Cc2nc(SCC(=O)N3CCCC3)n(C)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)N3CCCc4ccccc43)n(C)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)N3CCc4ccccc43)n(C)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)NC3CCCCC3)n(C)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)NCC3CCCO3)n(Cc3ccccc3)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)NCCc3ccccc3)n(C)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)NCc3ccco3)n(Cc3ccccc3)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)Nc3ccc(F)cc3)n(C)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)Nc3ccc(F)cc3F)n(C)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(C)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(-c3ccc(F)cc3)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(CCc3ccccc3)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(Cc3ccccc3)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)Nc3ccccc3F)n(C)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)Nc3nccs3)n(C)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)Nc3nccs3)n(Cc3ccccc3)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(=O)OCc3ccccc3)n(C)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(N)=O)n(C)c(=O)c2S1,0,0.0,
+CC1Cc2nc(SCC(N)=O)n(Cc3ccccc3)c(=O)c2S1,0,0.0,
+CC1Cn2c(CCc3ccccc3)nnc2S1,0,0.0,
+CC1Cn2c(COc3ccccc3)nnc2S1,0,0.0,
+CC1Cn2c(nc3c2c(=O)[nH]c(=O)n3C)O1,0,0.0,
+CC1Cn2c(nc3sc4c(c3c2=O)CCC4)N1CCO,0,0.0,
+CC1Cn2c(nnc2-c2cc3ccccc3cc2O)S1,0,0.0,
+CC1Cn2c(nnc2-c2ccc(F)cc2)S1,0,0.0,
+CC1Cn2c(nnc2-c2cccc(Cl)c2)S1,0,0.0,
+CC1Cn2c(nnc2-c2cccc(N)c2)S1,0,0.0,
+CC1Cn2c(nnc2-c2ccccc2O)S1,0,0.0,
+CC1Cn2c(nnc2C(=O)c2ccccc2)S1,0,0.0,
+CC1Cn2c(nnc2C23CC4CC(CC(C4)C2)C3)S1,0,0.0,
+CC1N(C)c2cc(NC(=O)c3ccco3)ccc2C1(C)C,0,0.0,
+CC1N(O)C(c2ccc(Cl)cc2Cl)N(O)C1(C)C,0,0.0,
+CC1N(O)C2CCCCCC2N1O,0,0.0,
+CC1N/C(=C\C(=O)c2ccccc2)N(O)C1(C)C,0,0.0,
+CC1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O,0,0.0,
+CC1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O,0,0.0,
+CC1NC(=O)N(C)C2NC(=O)N(C)C(c3ccccc3)C12,0,0.0,
+CC1NC(=O)NC1CCCCC(=O)O,0,0.0,
+CC1NC(=O)NC1CCCCCC(=O)NCCc1ccccc1,0,0.0,
+CC1NC2(C(=O)N(Cc3ccccc3)c3ccccc32)C2C(=O)N(c3ccccc3)C(=O)C12,0,0.0,
+CC1OC(NCCc2ccccc2)C(O)C(O)C1O,0,0.0,
+CC1OC(Nc2ccc(OC(F)(F)F)cc2)C(O)C(O)C1O,0,0.0,
+CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O,0,0.0,
+CC1OC2C(OC1C)N(S(C)(=O)=O)CCN2S(C)(=O)=O,0,0.0,
+CC1Oc2ccccc2C=C1C1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCCN(C)C,0,0.0,
+CC1Oc2ccccc2N(CC(=O)N(Cc2ccccc2)Cc2ccccn2)C1=O,0,0.0,
+CC1Oc2ccccc2N(CC(=O)N2CCCc3ccccc32)C1=O,0,0.0,
+CC1Oc2ccccc2N(CC(=O)N2CCc3ccccc32)C1=O,0,0.0,
+CC1Oc2ccccc2N(CC(=O)NCC2CCCO2)C1=O,0,0.0,
+CC1Oc2ccccc2N(CC(=O)NCCc2ccccc2)C1=O,0,0.0,
+CC1Oc2ccccc2N(CC(=O)NCc2cccs2)C1=O,0,0.0,
+CC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O,0,0.0,
+CC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O,0,0.0,
+CC1Oc2ccccc2N(CC(=O)c2cccc(Cl)c2)C1=O,0,0.0,
+CC1Oc2ccccc2N(CC(=O)c2ccccc2)C1=O,0,0.0,
+CC1Oc2ccccc2N(Cc2ccccc2Cl)C1=O,0,0.0,
+CC1Oc2ccccc2N(Cc2ccccc2F)C1=O,0,0.0,
+CC1Oc2ccccc2N(Cc2cccnc2)C1=O,0,0.0,
+CC1S/C(=C(\C#N)C(=O)NCc2ccco2)N(Cc2ccco2)C1=O,0,0.0,
+CC1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O,0,0.0,
+CC1S/C(=C(\C#N)C(N)=O)N(c2ccc(F)cc2)C1=O,0,0.0,
+CC1SC(=NC(=O)c2ccco2)NC1=O,0,0.0,
+CC1SC2(CN3CCC2CC3)NC1=O,0,0.0,
+CC1c2[nH]c3ccccc3c2CCN1C(=O)Nc1ccccc1,0,0.0,
+CC1c2[nH]c3ccccc3c2CCN1S(C)(=O)=O,0,0.0,
+CC1c2cccn2CCN1CC(O)COCC1=CCC2CC1C2(C)C,0,0.0,
+CC1c2cccn2CCN1CC(O)COCc1ccccc1,0,0.0,
+CC1c2nc3ccccc3n2C(CC(=O)NCc2ccccn2)C(=O)N1Cc1ccccc1,0,0.0,
+CCC(=NC(C)c1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CCC(=NC(CC)CO)C1=C(O)CC(C)(C)CC1=O,0,0.0,
+CCC(=NC1CC(C)(C)NC(C)(C)C1)C1=C(O)CC(C)(C)CC1=O,0,0.0,
+CCC(=NC1CC1)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NC1CC1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NC1CCN(Cc2ccccc2)CC1)c1c(O)[nH]c(=O)[nH]c1=O,0,0.0,
+CCC(=NCC1CCCO1)c1c(O)[nH]c(=O)[nH]c1=O,0,0.0,
+CCC(=NCC1CCCO1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCC1CCCO1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCC1CCCO1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCCC1=CCCCC1)c1c(O)[nH]c(=O)[nH]c1=O,0,0.0,
+CCC(=NCCCN(C)C)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCCCN(CC)CC)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCCCN(CC)CC)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCCCN1CCOCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCCCO)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCCN1CCCCC1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CCC(=NCCN1CCNCC1)C1=C(O)CC(C)(C)CC1=O,0,0.0,
+CCC(=NCCN1CCOCC1)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCCO)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCCO)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCCO)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCCOc1ccc(Cl)cc1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CCC(=NCCc1ccccc1)C1=C(O)CCC1=O,0,0.0,
+CCC(=NCc1ccc(F)cc1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CCC(=NCc1ccc2c(c1)OCO2)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CCC(=NCc1ccc2c(c1)OCO2)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCc1ccccc1)C1=C(O)C(C(=O)OC)C(C)(C)CC1=O,0,0.0,
+CCC(=NCc1cccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCc1cccnc1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCc1ccco1)c1c(O)[nH]c(=O)[nH]c1=O,0,0.0,
+CCC(=NCc1ccco1)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCc1ccco1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCC(=NCc1ccco1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCC(=Nc1ccc(Cc2ccncc2)cc1)c1c(O)n(C)c(=O)n(C)c1=O,1,100.0,1.0
+CCC(=Nc1ccc(N)cc1)C1=C(O)C(C(=O)OC)C(C)(C)CC1=O,0,0.0,
+CCC(=Nc1ccc(OC)cc1OC)c1c(O)[nH]c(=O)[nH]c1=O,0,0.0,
+CCC(=Nc1ccc(OC)cc1OC)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CCC(=Nc1ccc(OC)cc1OC)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCC(=Nc1ccc2c(c1)CCC2)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CCC(=Nc1ccc2c(c1)CCC2)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCC(=Nc1ccccc1NC(C)=O)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CCC(=O)/C=C1\Sc2ccc(OC)cc2N1CC,0,0.0,
+CCC(=O)/C=C1\Sc2ccc(OC)cc2N1CCO,0,0.0,
+CCC(=O)N(CC)c1nc(-c2ccc(OC)cc2)cs1,0,0.0,
+CCC(=O)N(CCCN(C)C)c1nc(-c2cc(OC)ccc2OC)cs1,0,0.0,
+CCC(=O)N(CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O,0,0.0,
+CCC(=O)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0.0,
+CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)C1CCCCC1,0,0.0,
+CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1,0,0.0,
+CCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1,0,0.0,
+CCC(=O)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCCC1,0,0.0,
+CCC(=O)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1,0,0.0,
+CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1cc(C)ccc1C,0,0.0,
+CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1C,0,0.0,
+CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1cccc(C)c1,0,0.0,
+CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccccc1C,0,0.0,
+CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1OC,0,0.0,
+CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)C,0,0.0,
+CCC(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O,0,0.0,
+CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O,0,0.0,
+CCC(=O)N(Cc1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1,0,0.0,
+CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1,0,0.0,
+CCC(=O)N(Cc1cccs1)C1CCOC(C)(C)C1,0,0.0,
+CCC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+CCC(=O)N/C(N)=N/c1nc(C)c2cc(OC)ccc2n1,0,0.0,
+CCC(=O)N/C=C/n1cnc2cc(C(F)(F)F)ccc21,0,0.0,
+CCC(=O)N1C(=O)CCN(C(C)=O)c2ccccc21,0,0.0,
+CCC(=O)N1C(C(=O)N2CCCC2)CSC1c1ccc(OC)cc1,0,0.0,
+CCC(=O)N1C(C(=O)O)CSC1c1ccc(OC)cc1,0,0.0,
+CCC(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c1ccc(F)cc1,0,0.0,
+CCC(=O)N1CC(=O)Nc2ccc(F)cc2C1c1ccccc1,0,0.0,
+CCC(=O)N1CC(C)C(=O)Nc2ccccc21,0,0.0,
+CCC(=O)N1CC2(C)CN(C(=O)CC)CC(C)(C1)C2,0,0.0,
+CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21,0,0.0,
+CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21,0,0.0,
+CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)ccc21,0,0.0,
+CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc21,0,0.0,
+CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,0,0.0,
+CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ncccn4)CC3)ccc21,0,0.0,
+CCC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccs3)ccc21,0,0.0,
+CCC(=O)N1CCN(C(=O)CC)C1c1ccccc1,0,0.0,
+CCC(=O)N1CCN(C(C)=O)C1c1ccccc1,0,0.0,
+CCC(=O)N1CCN(CCN=CC2=C(O)CC(C)(C)CC2=O)CC1,0,0.0,
+CCC(=O)N1CCN(CCN=CC2=C(O)CC(c3cccs3)CC2=O)CC1,0,0.0,
+CCC(=O)N1CCN(CCN=Cc2c(O)n(C)c(=O)n(C)c2=O)CC1,0,0.0,
+CCC(=O)N1CCN(CCN=Cc2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)CC1,0,0.0,
+CCC(=O)N1CCN(c2cc(C)ccc2C)CC1,0,0.0,
+CCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1,0,0.0,
+CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2)CC1,0,0.0,
+CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Br)o2)CC1,0,0.0,
+CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3c(c2)OCCO3)CC1,0,0.0,
+CCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1,1,100.0,
+CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1,0,0.0,
+CCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1,0,0.0,
+CCC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)ccc2C(C)C)CC1,0,0.0,
+CCC(=O)N1CCN(c2ccccc2NC(=O)COc2cccc(C)c2)CC1,0,0.0,
+CCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2Cl)CC1,0,0.0,
+CCC(=O)N1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1,0,0.0,
+CCC(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1,0,0.0,
+CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(C)c2)CC1,0,0.0,
+CCC(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCCC3)CC1,0,0.0,
+CCC(=O)N1CCN(c2nc(C)nc3sc(C)c(C)c23)CC1,0,0.0,
+CCC(=O)N1CCN=C1SCc1ccc(Cl)cc1,0,0.0,
+CCC(=O)N1CCN=C1SCc1ccc(F)cc1,0,0.0,
+CCC(=O)N1CCN=C1SCc1ccccc1,0,0.0,
+CCC(=O)N1CCN=C1SCc1ccccc1Cl,0,0.0,
+CCC(=O)N1CCNC(=O)C1CC(=O)Nc1ccc(C)c(Cl)c1,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)C3(C(=O)OC)CC3)c21,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CC(=O)OC)c21,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCC3CCCO3)c21,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCc3ccco3)c21,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCCC3)c21,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c21,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)c21,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCC3CCCN3CC)c21,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCC3CCCO3)c21,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCCC3C)c21,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCCC3CC)c21,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCOCC3)c21,0,0.0,
+CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccco3)c21,0,0.0,
+CCC(=O)N1CCc2cc(OC)c(OC)cc2C1COc1ccc(C(=O)OC)cc1,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCc3ccc(OC)c(OC)c3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc4c(c3)OCO4)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3cccs3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(F)c3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(CC)cc3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(F)c3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(F)c3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3nc(C)cs3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)O)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)N(CC)c3cccc(C)c3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)N3CCc4ccccc4C3)C(C)C)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NC(C)c3ccccc3)C(C)C)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(C)cc3)C(C)C)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(F)cc3)C(C)C)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccccc3)C(C)C)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3cccc(C)n3)C(C)C)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCC3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CC=C(c4ccccc4)CC3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(Cc4ccccc4)CC3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCc4ccccc4C3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCCc4ccccc43)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cc(C)cc(C)c3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccccc3C)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN(CC)Cc3ccccc3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCN(Cc4ccccc4)CC3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NCCCOC)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCC(C)CC3)ccc21,0,0.0,
+CCC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCCCC3CC)ccc21,0,0.0,
+CCC(=O)N1CN(S(=O)(=O)c2ccc(C)cc2)CC1C,0,0.0,
+CCC(=O)N1Cc2ccccc2-c2ccccc2C1=O,0,0.0,
+CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N3CCC4(CC3)OCCO4)cc2CC1C,0,0.0,
+CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N3CCN(c4ccccc4)CC3)cc2CC1C,0,0.0,
+CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N3CCn4c3nc3ccccc34)cc2CC1C,1,100.0,0.0
+CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NC3CCCC3)cc2CC1C,0,0.0,
+CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)cc2CC1C,0,0.0,
+CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc4c(c3)OCO4)cc2CC1C,0,0.0,
+CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3nccs3)cc2CC1C,0,0.0,
+CCC(=O)N1c2ccc(S(=O)(=O)N(CCO)Cc3ccccc3)cc2CC1C,0,0.0,
+CCC(=O)N1c2ccccc2-c2nnc(SC)nc2OC1c1ccc(N(C)C)cc1,0,0.0,
+CCC(=O)N1c2ccccc2-c2nnc(SC)nc2OC1c1ccc(OC)c(OC)c1,0,0.0,
+CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(c3ccco3)C2)C1c1ccco1,0,0.0,
+CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1,0,0.0,
+CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1cccnc1,0,0.0,
+CCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C,0,0.0,
+CCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1cccc(OC)c1,0,0.0,
+CCC(=O)N=c1sc2c(C)cc(C)cc2n1CC(=O)OC,0,0.0,
+CCC(=O)N=c1sc2c(OC)ccc(OC)c2n1C,0,0.0,
+CCC(=O)N=c1sc2cc(F)cc(F)c2n1C,0,0.0,
+CCC(=O)NC(=Nc1nc2ccccc2s1)NC(=O)CC,0,0.0,
+CCC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+CCC(=O)NC(C)C(c1cccs1)N1CCOCC1,0,0.0,
+CCC(=O)NC(C)c1nc2ccccc2n1C,0,0.0,
+CCC(=O)NC(Nc1cccc(C)n1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1,0,0.0,
+CCC(=O)NC1(C(F)(F)F)C(=O)NC(C)=C1C#N,0,0.0,
+CCC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1,0,0.0,
+CCC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21,0,0.0,
+CCC(=O)NCC(c1cccs1)N1CCOCC1,0,0.0,
+CCC(=O)NCCC(c1ccco1)c1ccccc1OC,0,0.0,
+CCC(=O)NCCCCNC(=O)CC,0,0.0,
+CCC(=O)NCCCOc1ccccc1,0,0.0,
+CCC(=O)NCCN1CCN(C(=O)CC)CC1,0,0.0,
+CCC(=O)NCCNC(=O)c1c(SC)nsc1SC,0,0.0,
+CCC(=O)NCCSc1c[nH]c2ccccc12,0,0.0,
+CCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O,0,0.0,
+CCC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O,0,0.0,
+CCC(=O)NCCc1cc2ccc(C)cc2[nH]c1=O,0,0.0,
+CCC(=O)NCCn1c(C)cc2ccccc21,0,0.0,
+CCC(=O)NCc1nc2ccccc2n1C(C)C,0,0.0,
+CCC(=O)NCc1nc2ccccc2n1CC,0,0.0,
+CCC(=O)NCc1nc2ccccc2n1Cc1ccccc1F,0,0.0,
+CCC(=O)N[C@@H]1CC(C(C)(C)NC(=O)CC)CC=C1C,0,0.0,
+CCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1C,0,0.0,
+CCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C,0,0.0,
+CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccc(C)cc1,0,0.0,
+CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1C,0,0.0,
+CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1C1CCCCC1,0,0.0,
+CCC(=O)Nc1c(C(=O)N2CCCCCC2)cnn1-c1ccc(C)c(C)c1,0,0.0,
+CCC(=O)Nc1c(C(=O)Nc2cccc(OC)c2)oc2ccccc12,0,0.0,
+CCC(=O)Nc1c(C)c(CC)nc2ccccc12,0,0.0,
+CCC(=O)Nc1c(C)cc(C)cc1Cl,0,0.0,
+CCC(=O)Nc1c(C)ccc2nsnc12,0,0.0,
+CCC(=O)Nc1c(C)nn(C(=O)CC)c1C,0,0.0,
+CCC(=O)Nc1c(OC(=O)CC)ccc2c(C)cc(=O)oc12,0,0.0,
+CCC(=O)Nc1c2c(nc3c1CCC3)CCCC2,0,0.0,
+CCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2,0,0.0,
+CCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S+]([O-])C2,0,0.0,
+CCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S+]([O-])C2,0,0.0,
+CCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2,0,0.0,
+CCC(=O)Nc1c2c(nn1-c1ccccc1C)CSC2,0,0.0,
+CCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1N1CCCCC1,0,0.0,
+CCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC,0,0.0,
+CCC(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C,0,0.0,
+CCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCOCC1,0,0.0,
+CCC(=O)Nc1cc(=O)[nH]c2ncnn12,0,0.0,
+CCC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CCC(=O)Nc1cc(C(=O)NCC2CCCN2CC)c(OC)cc1N(C)C,0,0.0,
+CCC(=O)Nc1cc(C(C)C)c(O)cc1C,0,0.0,
+CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+CCC(=O)Nc1cc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1,0,0.0,
+CCC(=O)Nc1cc(C)c(NC(=O)CCc2ccccc2)cn1,0,0.0,
+CCC(=O)Nc1cc(C)c(NC(=O)c2ccccc2OC)cn1,0,0.0,
+CCC(=O)Nc1cc(C)c(NC(=O)c2ccco2)cn1,0,0.0,
+CCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1,1,100.0,0.0
+CCC(=O)Nc1cc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)ccc1C,0,0.0,
+CCC(=O)Nc1cc(NC(=O)CSc2nnc(C(C)C)n2CC)ccc1C,0,0.0,
+CCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC,0,0.0,
+CCC(=O)Nc1cc2c(cc1C(=O)CC)OCCO2,0,0.0,
+CCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2,0,0.0,
+CCC(=O)Nc1cc2c(cc1C(C)=O)OCCO2,0,0.0,
+CCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C,0,0.0,
+CCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl,0,0.0,
+CCC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1,0,0.0,
+CCC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1C,0,0.0,
+CCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1,0,0.0,
+CCC(=O)Nc1ccc(-c2nnc(SCC(=O)NCC3CCCO3)n2C)cc1,0,0.0,
+CCC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2C)cc1,0,0.0,
+CCC(=O)Nc1ccc(Br)c(Cl)c1,0,0.0,
+CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccnc3)o2)cc1,0,0.0,
+CCC(=O)Nc1ccc(C(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)cc1OC,0,0.0,
+CCC(=O)Nc1ccc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)cc1,0,0.0,
+CCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)cc1,0,0.0,
+CCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+CCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1,0,0.0,
+CCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1,0,0.0,
+CCC(=O)Nc1ccc(C(=O)n2ccc(C)n2)cc1,0,0.0,
+CCC(=O)Nc1ccc(C(=O)n2nc(C)cc2C)cc1,0,0.0,
+CCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)C)c1,0,0.0,
+CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)o2)c1,0,0.0,
+CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1,0,0.0,
+CCC(=O)Nc1ccc(F)c(Cl)c1,0,0.0,
+CCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1,0,0.0,
+CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1,1,100.0,0.0
+CCC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1,0,0.0,
+CCC(=O)Nc1ccc(NC(=O)CN2CCCC(C)C2)c(Cl)c1,1,100.0,0.0
+CCC(=O)Nc1ccc(NC(=O)CSc2nnc(C(C)C)n2C)cc1,0,0.0,
+CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2C(C)C)cc1,0,0.0,
+CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2CC)cc1C,0,0.0,
+CCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cn1,0,0.0,
+CCC(=O)Nc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1,0,0.0,
+CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,0,0.0,
+CCC(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)nc1,0,0.0,
+CCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1,0,0.0,
+CCC(=O)Nc1ccc(NC(=O)c2ccccn2)cn1,0,0.0,
+CCC(=O)Nc1ccc(NC(=O)c2ccco2)c(OC)c1,0,0.0,
+CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+CCC(=O)Nc1ccc(Nc2ccccc2)cc1,0,0.0,
+CCC(=O)Nc1ccc(OC)cc1OC,0,0.0,
+CCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1,0,0.0,
+CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1,0,0.0,
+CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC,0,0.0,
+CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1,0,0.0,
+CCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CC)cc2)cc1,0,0.0,
+CCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,0,0.0,
+CCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(C)CC1)n2C,0,0.0,
+CCC(=O)Nc1ccc2c(c1)nc1n2CCSC1,0,0.0,
+CCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1OC,0,0.0,
+CCC(=O)Nc1ccc2nc(C)n(CC(=O)Nc3ccccc3)c(=O)c2c1,0,0.0,
+CCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1,0,0.0,
+CCC(=O)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1,0,0.0,
+CCC(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1,0,0.0,
+CCC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1,0,0.0,
+CCC(=O)Nc1cccc(-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)c1,0,0.0,
+CCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1,0,0.0,
+CCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1,0,0.0,
+CCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1,0,0.0,
+CCC(=O)Nc1cccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)c1,0,0.0,
+CCC(=O)Nc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2C)c1,0,0.0,
+CCC(=O)Nc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1,0,0.0,
+CCC(=O)Nc1cccc(Br)c1,0,0.0,
+CCC(=O)Nc1cccc(C(=O)c2ccccc2)c1,0,0.0,
+CCC(=O)Nc1cccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1,0,0.0,
+CCC(=O)Nc1cccc(NC(=O)COc2ccc(OC)cc2)c1,0,0.0,
+CCC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2C)c1,0,0.0,
+CCC(=O)Nc1cccc(NC(=O)CSc2nnc(C(C)C)n2CC)c1,0,0.0,
+CCC(=O)Nc1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1,0,0.0,
+CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1,0,0.0,
+CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2C2CCCC2)c1,0,0.0,
+CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1,0,0.0,
+CCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1,0,0.0,
+CCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1,1,100.0,0.0
+CCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1,0,0.0,
+CCC(=O)Nc1cccc(NC(=O)c2cccnc2)c1,0,0.0,
+CCC(=O)Nc1ccccc1-c1nnn(CC(=O)N2c3ccccc3CC2C)n1,0,0.0,
+CCC(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+CCC(=O)Nc1ccccc1C(=O)N1CCOCC1,0,0.0,
+CCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CCC(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1,0,0.0,
+CCC(=O)Nc1ccccc1Oc1ccccc1,0,0.0,
+CCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C,0,0.0,
+CCC(=O)Nc1nc(C)c(C(=O)N2CCCCC2)s1,0,0.0,
+CCC(=O)Nc1nc(C)c(Oc2ccccc2)c(=O)[nH]1,0,0.0,
+CCC(=O)Nc1nc(C)cc(SCC(=O)OC)n1,0,0.0,
+CCC(=O)Nc1nc(C)nc(C)c1C(C)=O,0,0.0,
+CCC(=O)Nc1nc(CC(=O)Nc2ccccc2)cs1,0,0.0,
+CCC(=O)Nc1nc(OC)cc(OC)n1,0,0.0,
+CCC(=O)Nc1nc2c(OC)ccc(C)c2s1,0,0.0,
+CCC(=O)Nc1nc2c(OC)ccc(OC)c2s1,0,0.0,
+CCC(=O)Nc1nc2cc(OC)ccc2s1,0,0.0,
+CCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1,0,0.0,
+CCC(=O)Nc1nc2ccc3nc(C)sc3c2s1,0,0.0,
+CCC(=O)Nc1nc2ccccc2n1CCN(C)C,0,0.0,
+CCC(=O)Nc1nc2ccccc2n1CCN(CC)CC,0,0.0,
+CCC(=O)Nc1nc2ccccc2n1CCN1CCOCC1,0,0.0,
+CCC(=O)Nc1nc2ccccc2n1Cc1ccc(C)cc1,0,0.0,
+CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1,0,0.0,
+CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1C,0,0.0,
+CCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12,0,0.0,
+CCC(=O)Nc1nnc(-c2ccc(OC)cc2)o1,0,0.0,
+CCC(=O)Nc1nnc(-c2ccco2)o1,0,0.0,
+CCC(=O)Nc1nnc(CSCc2ccccc2)s1,0,0.0,
+CCC(=O)Nc1nnc(Cc2ccccc2)s1,0,0.0,
+CCC(=O)Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1,0,0.0,
+CCC(=O)Nc1nnc(Sc2ccc(N(C)C)cc2)s1,0,0.0,
+CCC(=O)Nc1nonc1-c1nc2ccccc2n1CC(C)C,0,0.0,
+CCC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C,0,0.0,
+CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1,0,0.0,
+CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1,0,0.0,
+CCC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(=O)CC)C(=O)CC,0,0.0,
+CCC(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N,0,0.0,
+CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC,0,0.0,
+CCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C,0,0.0,
+CCC(=O)Nc1sc2c(c1C(N)=O)CCC2,0,0.0,
+CCC(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2,0,0.0,
+CCC(=O)Nc1sccc1C(=O)OC,0,0.0,
+CCC(=O)Nn1c(C)nnc1C,0,0.0,
+CCC(=O)OC1(C#CCOc2ccc(OC)cc2)CCN(C)CC1,0,0.0,
+CCC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccccc2)c2ccccc21,0,0.0,
+CCC(=O)OC1CSc2nc3ccccc3n2C1,0,0.0,
+CCC(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O,0,0.0,
+CCC(=O)OCCn1c(=O)c2cc3c(=O)n(CCOC(=O)CC)c(=O)c3cc2c1=O,0,0.0,
+CCC(=O)OCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCC(=O)OCc1cc2cccc(C)c2[nH]c1=O,0,0.0,
+CCC(=O)O[C@@H]1CC(=O)O[C@H](C)CC=CC=C[C@@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H]1OC,0,0.0,
+CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,0,0.0,
+CCC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1C(C)(C)C,0,0.0,
+CCC(=O)Oc1ccc(/C(CC)=C(\CC)c2ccc(OC(=O)CC)cc2)cc1,0,0.0,
+CCC(=O)Oc1ccc(C(CC)C(CC)c2ccc(OC(=O)CC)cc2)cc1,0,0.0,
+CCC(=O)Oc1ccc(C/C(=N\O)c2ccc(O)cc2O)o1,0,0.0,
+CCC(=O)Oc1ccc(C2N(C(=O)CC)CCN2S(=O)(=O)c2ccc(C)cc2)cc1OC,0,0.0,
+CCC(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,0,0.0,
+CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1C,0,0.0,
+CCC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1,0,0.0,
+CCC(=O)Oc1oc(-c2ccccc2)nc1C=Nc1ccccc1OC,0,0.0,
+CCC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCC(=O)c1cc(-c2nc3ccccc3n2C)n(C)c1,0,0.0,
+CCC(=O)c1cc(F)c(N2CCN(C(=O)Cc3ccccc3)CC2)cc1C,1,100.0,
+CCC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C,0,0.0,
+CCC(=O)c1cc(F)c(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C,0,0.0,
+CCC(=O)c1cc(F)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C,0,0.0,
+CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O,0,0.0,
+CCC(=O)c1cc2c(cc1NC(=O)C(C)C)OCCO2,0,0.0,
+CCC(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2,0,0.0,
+CCC(=O)c1ccc(C(C)CCC(=O)O)cc1,0,0.0,
+CCC(=O)c1ccc(CCCCCC(=O)O)s1,0,0.0,
+CCC(=O)c1ccc(N2CCCCCC2)c(F)c1,0,0.0,
+CCC(=O)c1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(F)c1,0,0.0,
+CCC(=O)c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)c(F)c1,0,0.0,
+CCC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1,0,0.0,
+CCC(=O)c1ccc(O)cc1,0,0.0,
+CCC(=O)c1ccc(OC(=O)c2ccc(Br)o2)cc1,0,0.0,
+CCC(=O)c1ccc(OCC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1,0,0.0,
+CCC(=O)c1ccc(OCC(=O)Nc2nn3cnnc3s2)cc1,0,0.0,
+CCC(=O)c1ccc(OCC(=O)O)cc1,0,0.0,
+CCC(=O)c1ccc(OCC(O)CN(C)C2CCCCC2)cc1,1,100.0,1.0
+CCC(=O)c1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1,1,100.0,
+CCC(=O)c1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1,0,0.0,
+CCC(=O)c1ccc(OCC(O)CN2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1,0,0.0,
+CCC(=O)c1ccc(OCC(O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,1,100.0,0.0
+CCC(=O)c1ccc(OCC(O)CN2CCOCC2)cc1,0,0.0,
+CCC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1,0,0.0,
+CCC(=O)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1,0,0.0,
+CCC(=O)c1ccc(OCCN2CCOCC2)cc1,0,0.0,
+CCC(=O)c1ccc(OCCSc2ncccn2)cc1,0,0.0,
+CCC(=O)c1ccc(OCCn2cncn2)cc1,0,0.0,
+CCC(=O)c1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1,0,0.0,
+CCC(=O)c1cccc2c1N=CC1=C(CC(C)(C)CC1=O)N2,0,0.0,
+CCC(=O)c1ccccc1OCCCN1C(=O)NC(C)(C)C1=O,0,0.0,
+CCC(=O)c1ccccc1OCCCn1cncn1,0,0.0,
+CCC(=O)c1ccccc1OCCN1C(=O)NC(C)(C)C1=O,0,0.0,
+CCC(=O)c1ccccc1OCCSc1nc(C)cc(=O)[nH]1,0,0.0,
+CCC(=O)c1cn(CC(=O)NCC2CCCO2)c2ccccc12,0,0.0,
+CCC(=O)c1cn(CC(=O)NCc2cccnc2)c2ccccc12,0,0.0,
+CCC(=O)c1cn(Cc2ccccc2C#N)c2ccccc12,0,0.0,
+CCC(=O)n1nc(-c2ccc(OC)cc2)nc1N,0,0.0,
+CCC(=O)n1nc(-c2ccccc2)nc1NCc1ccccc1,0,0.0,
+CCC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(OC)cc1,0,0.0,
+CCC(=O)n1nc(-c2ccco2)nc1N,0,0.0,
+CCC(=O)n1nc(-c2ccco2)nc1SCc1ccccc1,0,0.0,
+CCC(=O)n1nc(NCc2ccc(OC)c(OC)c2)nc1NCc1ccc(OC)c(OC)c1,0,0.0,
+CCC(=O)n1nc(NCc2ccccc2OC)nc1NCc1ccccc1OC,0,0.0,
+CCC(C#CCN1CCCCC1)(CC)OCCC#N,0,0.0,
+CCC(C#CCN1CCOCC1)(CC)OCCC#N,0,0.0,
+CCC(C(=O)N1CC2(C)CC1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O,0,0.0,
+CCC(C(=O)N1CCC2(CC1)OCCO2)c1ccccc1,0,0.0,
+CCC(C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1,0,0.0,
+CCC(C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1,0,0.0,
+CCC(C(=O)N1CCN(c2ccccn2)CC1)n1nc(C)n2c(cc3occc32)c1=O,0,0.0,
+CCC(C(=O)N1CCOCC1)n1c(C(=O)OC)cc2occc21,0,0.0,
+CCC(C(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1,0,0.0,
+CCC(C(=O)N1CCc2ccccc2C1)n1nc(C)n2c(cc3occc32)c1=O,0,0.0,
+CCC(C(=O)NC(C)CCc1ccccc1)n1nc(C)n2c(cc3occc32)c1=O,0,0.0,
+CCC(C(=O)NC(C)CCc1ccco1)n1nc(C)n2c(cc3occc32)c1=O,0,0.0,
+CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C)(C)C,0,0.0,
+CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cnc2ccccc2c1,0,0.0,
+CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)C1CCCCC1,0,0.0,
+CCC(C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2,0,0.0,
+CCC(C(=O)NC1CCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1,0,0.0,
+CCC(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1,0,0.0,
+CCC(C(=O)NCCN1CCN(C)CC1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C,0,0.0,
+CCC(C(=O)NCc1ccc(F)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CCC(C(=O)NCc1cccnc1)n1nc(C)n2c(cc3sccc32)c1=O,1,100.0,
+CCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1OC,0,0.0,
+CCC(C(=O)NCc1ccco1)n1nc(-c2ccc(OC)cc2)ccc1=O,0,0.0,
+CCC(C(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)c1ccccc1,0,0.0,
+CCC(C(=O)Nc1ccccc1C(=O)N1CCCC1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CCC(C(=O)Nc1ccccc1OC)n1c(C(=O)OC)cc2ccsc21,0,0.0,
+CCC(C(=O)Nc1cnccn1)c1ccccc1,0,0.0,
+CCC(C(=O)Nc1nc(C)cs1)c1ccccc1,0,0.0,
+CCC(C(=O)Nc1ncccn1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(C(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(C(=O)Nc1ncn[nH]1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(C(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1,0,0.0,
+CCC(C(=O)O)n1c(C(F)(F)F)nc2ccccc21,0,0.0,
+CCC(C(=O)O)n1nnc(-c2ccc(-c3ccc(OC)cc3)cc2)n1,0,0.0,
+CCC(C(=O)OC)n1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,0,0.0,
+CCC(C(=O)OC)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O,0,0.0,
+CCC(C(=O)OC)n1cnc2c(nnn2-c2cccc(Cl)c2)c1=O,0,0.0,
+CCC(C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1,0,0.0,
+CCC(C(=O)OCCN(CC)CC)c1ccccc1,1,100.0,1.0
+CCC(C(=O)c1ccc(O)cc1)c1ccccc1,0,0.0,
+CCC(C)(C(=O)NC1CCCC1)N(C(=O)CNC(C)=O)c1ccc(C)cc1,0,0.0,
+CCC(C)(C(=O)NC1CCCC1)N(C(=O)CNC(C)=O)c1ccccc1,0,0.0,
+CCC(C)(C(=O)NC1CCCC1)N(C(=O)c1ccccn1)c1ccccc1,0,0.0,
+CCC(C)(C(=O)NC1CCCC1)N(C(=O)c1cnccn1)c1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+CCC(C)(C(=O)NC1CCCC1)N(C(=O)c1cnccn1)c1ccccc1,0,0.0,
+CCC(C)(C(=O)NC1CCCC1)N(CC1CCCO1)C(=O)CNC(=O)c1ccccc1,0,0.0,
+CCC(C)(C(=O)NC1CCCC1)N(CC1CCCO1)C(=O)c1ccc2c(c1)OCO2,0,0.0,
+CCC(C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1ccc2c(c1)OCO2,0,0.0,
+CCC(C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1ccccn1,0,0.0,
+CCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1,0,0.0,
+CCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(C)=O,0,0.0,
+CCC(C)(C(=O)NC1CCCCC1)N(C(=O)C1CCC(=O)N1)c1ccc(C)cc1,0,0.0,
+CCC(C)(C(=O)NC1CCCCC1)N(C(=O)c1cnccn1)c1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+CCC(C)(C(=O)NC1CCCCC1)N(C)C(=O)c1ccccn1,0,0.0,
+CCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)c1ccccn1,0,0.0,
+CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CC1NC(=O)NC1=O,0,0.0,
+CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1ccccc1,0,0.0,
+CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1ccc2c(c1)OCO2,0,0.0,
+CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1,0,0.0,
+CCC(C)(C(=O)Nc1ccc2c(c1)OCCO2)N(C(C)=O)c1ccc(C(N)=O)cc1,0,0.0,
+CCC(C)(C)C(=O)NCc1ccccc1Cl,0,0.0,
+CCC(C)(C)N1CC(=O)N(Cc2ccccc2)C(c2ccc(OC)cc2)C1=O,0,0.0,
+CCC(C)(C)NC(=O)C(OC(=O)c1cc2sccc2n1C)c1ccc(OC)cc1,0,0.0,
+CCC(C)(C)NC(=O)C(OC(=O)c1ccco1)c1ccccc1OC,0,0.0,
+CCC(C)(C)NC(=O)C(c1ccc(C)o1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,0,0.0,
+CCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1,0,0.0,
+CCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1cnccn1,0,0.0,
+CCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CCC(C)(C)NC(=O)C(c1cccc(OC)c1)N(C(=O)c1ccn[nH]1)c1cccc(OC)c1,0,0.0,
+CCC(C)(C)NC(=O)C(c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21,0,0.0,
+CCC(C)(C)NC(=O)C(c1ccccc1F)N(Cc1ccco1)C(=O)c1csnn1,0,0.0,
+CCC(C)(C)NC(=O)C(c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1,0,0.0,
+CCC(C)(C)NC(=O)C(c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1,0,0.0,
+CCC(C)(C)NC(=O)C(c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC,0,0.0,
+CCC(C)(C)NC(=O)C(c1cccn1C)N(Cc1ccc(C)cc1)C(=O)Cn1nnc2ccccc21,0,0.0,
+CCC(C)(C)NC(=O)C(c1cccn1C)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21,0,0.0,
+CCC(C)(C)NC(=O)C(c1cccnc1)N(CCOC)C(=O)Cn1nnc2ccccc21,0,0.0,
+CCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2,0,0.0,
+CCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1csnn1)c1cccc(F)c1,0,0.0,
+CCC(C)(C)NC(=O)C(c1cccs1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,0,0.0,
+CCC(C)(C)NC(=O)C(c1ccncc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,0,0.0,
+CCC(C)(C)NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1,0,0.0,
+CCC(C)(C)NC(=O)CC(c1ccc(OC)cc1)n1cccc1,0,0.0,
+CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1cc(C)ccn1)c1ccc2c(c1)OCO2,0,0.0,
+CCC(C)(C)NC(=O)CN(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2,0,0.0,
+CCC(C)(C)NC(=O)CN(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1,0,0.0,
+CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2,0,0.0,
+CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2,0,0.0,
+CCC(C)(C)NC(=O)CN(CC1CCCO1)C(=O)CCC(=O)Nc1nccs1,0,0.0,
+CCC(C)(C)NC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1ccccn1,0,0.0,
+CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)OC)C(=O)C(C)(C)O2,0,0.0,
+CCC(C)(C)n1c(=O)[nH]c2c(c1=O)CCC2,0,0.0,
+CCC(C)(C)n1nnnc1C(C(C)C)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O,0,0.0,
+CCC(C)(C)n1nnnc1C(C(C)C)N1CCC(C(N)=O)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(C(C)C)N1CCN(C)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(C(C)C)N1CCSCC1,0,0.0,
+CCC(C)(C)n1nnnc1C(CC(C)C)N1CCC(C(N)=O)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cc(OC)c(OC)c(OC)c1)N1CCN(c2ccccc2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCCC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCCC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCc2ccccc21,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N1CCc2ccccc21,1,100.0,0.0
+CCC(C)(C)n1nnnc1C(c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(C)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cc2ccc(C)cc2[nH]c1=O)N(Cc1cccnc1)Cc1ccco1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(C2CCCCC2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc21,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc2C1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cc2cccc(C)c2[nH]c1=O)N1CCCC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cc2cccc(C)c2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCCC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCN(Cc2cccnc2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccc(Cl)cc1)N1CCN(C)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccc(N(C)C)cc1)N1CCN(C2CCCCC2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccc(O)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccc(OC)c(OC)c1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccc(OC)c(OC)c1)N1CCN(c2ccc(OC)cc2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccc(OC)c(OC)c1)N1CCN(c2ccccc2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccc2ncccc2c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccc2ncccc2c1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccc2ncccc2c1)N1CCN2CCCC2C1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCN(c2cc(C)ccc2C)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCN(c2cccc(C)c2C)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccccc1F)N1CCC(C(N)=O)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccccc1OC)N1CCSCC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccccn1)N1CCOCC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cccnc1)N1CCCc2ccccc21,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cccs1)N1CC=C(c2ccc(F)cc2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cccs1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1cccs1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1C(c1ccncc1)N1CCN(c2cccc(OC)c2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1,0,0.0,
+CCC(C)(C)n1nnnc1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1,0,0.0,
+CCC(C)(C)n1nnnc1CN(Cc1ccc(Cl)cc1)Cc1ccco1,0,0.0,
+CCC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0.0,
+CCC(C)(C)n1nnnc1CN(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O,0,0.0,
+CCC(C)(C)n1nnnc1CN1CCC(c2nc3ccc(C)cc3[nH]2)CC1,0,0.0,
+CCC(C)(C)n1nnnc1CN1CCN(c2nc3cc(OC)ccc3cc2C#N)CC1,0,0.0,
+CCC(C)(C)n1nnnc1CN1CCSCC1,0,0.0,
+CCC(C)(CC(=O)N(C)CCC#N)c1ccccc1,0,0.0,
+CCC(C)(NC(=O)CNC(C)=O)C(=O)NC1CCCCC1,0,0.0,
+CCC(C)(NC(=O)c1ccc(=O)[nH]c1)C(=O)NC1CCCC1,0,0.0,
+CCC(C)(NC(=O)c1ccccn1)C(=O)NC1CCCCC1,1,100.0,0.0
+CCC(C)(c1ccc(C(=O)OC)s1)c1ccc(C(=O)OC)s1,0,0.0,
+CCC(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21,0,0.0,
+CCC(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2,0,0.0,
+CCC(C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1,0,0.0,
+CCC(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)O,0,0.0,
+CCC(C)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2,0,0.0,
+CCC(C)C(=O)Nc1nnc(-c2cccs2)s1,0,0.0,
+CCC(C)C(N)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O,0,0.0,
+CCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NC(C(=O)OC)C(C)C,0,0.0,
+CCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NCc1cccnc1,0,0.0,
+CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)N1CCCC1C(N)=O)C(C)CC,0,0.0,
+CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(N)=O,0,0.0,
+CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCc1ccco1,0,0.0,
+CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)O,0,0.0,
+CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1ccco1,0,0.0,
+CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1,0,0.0,
+CCC(C)C(NCc1cccc(C)c1)C(=O)O,0,0.0,
+CCC(C)C1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,0,0.0,
+CCC(C)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21,0,0.0,
+CCC(C)C1C(C#N)=C(N)Oc2n[nH]c(C)c21,0,0.0,
+CCC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1,0,0.0,
+CCC(C)COC(=O)c1ccc(C(=O)O)cc1,0,0.0,
+CCC(C)Cn1c(C)nc2ccccc21,0,0.0,
+CCC(C)Cn1c(S(=O)(=O)O)nc2ccccc21,0,0.0,
+CCC(C)N(C(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12)C1CCS(=O)(=O)C1,1,100.0,0.0
+CCC(C)N(C(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C)C1CCS(=O)(=O)C1,0,0.0,
+CCC(C)N(C(=O)COC(=O)c1cn(CC)c2nc(C)ccc2c1=O)C1CCS(=O)(=O)C1,0,0.0,
+CCC(C)N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1cccc(OC)c1,0,0.0,
+CCC(C)N(C(=O)c1csnn1)C(C(=O)NCc1ccc(F)cc1)c1ccco1,0,0.0,
+CCC(C)N(C)Cc1cccc(C2(O)CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1,1,100.0,1.0
+CCC(C)N(CC(=O)NCc1ccc(OC)cc1)C(=O)c1csnn1,0,0.0,
+CCC(C)N(CCNC(=O)CC1Oc2ccc(C)cc2NC1=O)C1CCCCC1,1,100.0,1.0
+CCC(C)N(CCNC(=O)CC1Oc2ccccc2NC1=O)C1CCCCC1,1,100.0,1.0
+CCC(C)N1C(=O)C2C(C(=O)Nc3cccc(OC)c3)C3C=CC2(O3)C1C(=O)NC1CCCCC1C,0,0.0,
+CCC(C)N1C(=O)CCC1C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CCC(C)N1C(=O)NC(=O)C2(Cc3c(ccc4ccccc34)N(C)C2)C1=O,0,0.0,
+CCC(C)N1C(=O)NC(=O)C2(Cc3cc(C)ccc3N(C)C2)C1=O,0,0.0,
+CCC(C)N1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1,0,0.0,
+CCC(C)N1CC(C(=O)NC2CCCCC2)CC1=O,0,0.0,
+CCC(C)N1CC(O)=C(c2nc3ccccc3[nH]2)C1=N,0,0.0,
+CCC(C)N1CC23C=CC(O2)C(C(=O)OC)C3C1=O,0,0.0,
+CCC(C)N1CC23C=CC(O2)C(C(=O)OCc2ccccc2)C3C1=O,0,0.0,
+CCC(C)N=C1SCC(C)(/C=N/O)S1,0,0.0,
+CCC(C)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12,0,0.0,
+CCC(C)NC(=O)C(Cc1ccccc1)n1cccc1,0,0.0,
+CCC(C)NC(=O)C(NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1,0,0.0,
+CCC(C)NC(=O)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,0,0.0,
+CCC(C)NC(=O)C1(C)CCC(=O)N1CCc1ccc(OC)c(OC)c1,0,0.0,
+CCC(C)NC(=O)C1(C)CCC(=O)N1Cc1ccccc1OC,0,0.0,
+CCC(C)NC(=O)C1=C(C)C(=O)OC12CCC(C)CC2,0,0.0,
+CCC(C)NC(=O)C1CC(c2ccc(OC)cc2)=NO1,0,0.0,
+CCC(C)NC(=O)C1CC(c2cccc(OC)c2)=NO1,0,0.0,
+CCC(C)NC(=O)C1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1,0,0.0,
+CCC(C)NC(=O)C1CCC(=O)N(c2ccc3c(c2)OCO3)C1c1ccc(OC)cc1,0,0.0,
+CCC(C)NC(=O)C1CCC(=O)N1Cc1ccc(C)cc1,0,0.0,
+CCC(C)NC(=O)C1CCCN(C(=O)Nc2ccc(F)cc2)C1,0,0.0,
+CCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1,0,0.0,
+CCC(C)NC(=O)C1CCN(C(=O)N(C)C)CC1,0,0.0,
+CCC(C)NC(=O)C1CCN(C(=O)c2ccccc2)CC1,0,0.0,
+CCC(C)NC(=O)C1CCN(S(=O)(=O)CC)CC1,0,0.0,
+CCC(C)NC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1,0,0.0,
+CCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+CCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1,0,0.0,
+CCC(C)NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1,0,0.0,
+CCC(C)NC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1ccc(OC)cc1,0,0.0,
+CCC(C)NC(=O)C1c2ccccc2C(=O)N1Cc1cc(OC)ccc1OC,0,0.0,
+CCC(C)NC(=O)C1c2ccccc2C(=O)N1Cc1ccccc1OC,0,0.0,
+CCC(C)NC(=O)CC(c1ccc(OC)cc1)n1cccc1,0,0.0,
+CCC(C)NC(=O)CC1Oc2ccc(C)cc2NC1=O,0,0.0,
+CCC(C)NC(=O)CC1Oc2ccc(Cl)cc2NC1=O,0,0.0,
+CCC(C)NC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1,0,0.0,
+CCC(C)NC(=O)CCCCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCC(C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1,0,0.0,
+CCC(C)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+CCC(C)NC(=O)CCS(=O)(=O)c1ccc(Br)s1,0,0.0,
+CCC(C)NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,0,0.0,
+CCC(C)NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O,0,0.0,
+CCC(C)NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1c(C)n[nH]c1C,0,0.0,
+CCC(C)NC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21,0,0.0,
+CCC(C)NC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O,0,0.0,
+CCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CCC(C)NC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C,0,0.0,
+CCC(C)NC(=O)C[S+]([O-])Cc1nc(-c2cccc(C)c2)oc1C,0,0.0,
+CCC(C)NC(=O)C[S+]([O-])Cc1nc(-c2cccc(OC)c2)oc1C,0,0.0,
+CCC(C)NC(=O)C[S+]([O-])Cc1nc(-c2ccccc2C)oc1C,0,0.0,
+CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N12,0,0.0,
+CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N12,0,0.0,
+CCC(C)NC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1,0,0.0,
+CCC(C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCC1CCCO1,0,0.0,
+CCC(C)NC(=O)CSc1nc2n[nH]c(C)c2c(=N)n1-c1ccc(OC)cc1,0,0.0,
+CCC(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C,0,0.0,
+CCC(C)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1,0,0.0,
+CCC(C)NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2ccc(C(=O)NCc3ccco3)cc21,0,0.0,
+CCC(C)NC(=O)Cn1c(=O)n(CCCCC(=O)NCc2ccco2)c(=O)c2ccccc21,0,0.0,
+CCC(C)NC(=O)Cn1cc2c(n1)CCC(C)C2,0,0.0,
+CCC(C)NC(=O)Cn1cccc1C(=O)c1ccccc1,0,0.0,
+CCC(C)NC(=O)Cn1cnc2sc(C)cc2c1=O,0,0.0,
+CCC(C)NC(=O)NC1C(NC(=O)NC(C)CC)N(C)C(=O)N1C,0,0.0,
+CCC(C)NC(=O)N[C@@H](CCSC)C(=O)O,0,0.0,
+CCC(C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)O,0,0.0,
+CCC(C)NC(=O)c1c(-c2cc(Cl)c(OC)c(Cl)c2)noc1C,0,0.0,
+CCC(C)NC(=O)c1c(C)cc(=O)oc1C,0,0.0,
+CCC(C)NC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12,0,0.0,
+CCC(C)NC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12,0,0.0,
+CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12,0,0.0,
+CCC(C)NC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12,0,0.0,
+CCC(C)NC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12,0,0.0,
+CCC(C)NC(=O)c1cc(-c2ccc(OC)cc2)on1,0,0.0,
+CCC(C)NC(=O)c1cc(-c2ccccc2O)on1,0,0.0,
+CCC(C)NC(=O)c1cc(CC(C)C)on1,0,0.0,
+CCC(C)NC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCC(C)NC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,0,0.0,
+CCC(C)NC(=O)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+CCC(C)NC(=O)c1ccccc1C(=O)NC(C)CC,0,0.0,
+CCC(C)NC(=O)c1ccccc1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O,0,0.0,
+CCC(C)NC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,0,0.0,
+CCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1,0,0.0,
+CCC(C)NC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,0,0.0,
+CCC(C)NC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O,0,0.0,
+CCC(C)NC(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+CCC(C)NC(=O)c1cnn2c(C)c3c(nc12)CCCC3,0,0.0,
+CCC(C)NC(=O)c1cnn2c1NC(c1ccc3c(c1)OCO3)CC2C(F)(F)F,0,0.0,
+CCC(C)NC(=O)c1n[nH]c(=O)c2ccccc12,0,0.0,
+CCC(C)NCC(=O)Nc1ccc(-c2nc3cc(NC(=O)CNC(C)CC)ccc3o2)cc1,0,0.0,
+CCC(C)NCC(O)COCc1ccc(Cl)cc1,0,0.0,
+CCC(C)NS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1,0,0.0,
+CCC(C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1,0,0.0,
+CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1,0,0.0,
+CCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1,0,0.0,
+CCC(C)NS(=O)(=O)c1cccs1,1,100.0,0.0
+CCC(C)Nc1nc(-c2cccc(OC)c2O)nc2ccccc12,0,0.0,
+CCC(C)Nc1nc(OC)nc(N(C)C#N)n1,0,0.0,
+CCC(C)Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0,0.0,
+CCC(C)Nc1nc(SC(C(C)=O)C(C)=O)nc(N(C)C)n1,0,0.0,
+CCC(C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,0,0.0,
+CCC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,0,0.0,
+CCC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1,0,0.0,
+CCC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1,1,100.0,
+CCC(C)Nc1ncnc2c1cnn2Cc1ccc(Cl)cc1,0,0.0,
+CCC(C)OC(=O)C1=C(C)NC(=O)CC1c1ccccc1OC,0,0.0,
+CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccc(F)cc1,0,0.0,
+CCC(C)OC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(N(C)C)cc1,0,0.0,
+CCC(C)OC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2,0,0.0,
+CCC(C)OC(=O)n1ccc(C(=O)Nc2nccs2)n1,0,0.0,
+CCC(C)Oc1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1,0,0.0,
+CCC(C)Oc1cccc(OCCCCN2C(=O)NC(C)(C)C2=O)c1,0,0.0,
+CCC(C)Oc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2,0,0.0,
+CCC(C)SCc1nc2ccccc2[nH]1,0,0.0,
+CCC(C)Sc1nc(C)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCC(C)Sc1nc(O)cc(=O)[nH]1,0,0.0,
+CCC(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C,0,0.0,
+CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C,0,0.0,
+CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1cccc2ccccc12,0,0.0,
+CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1,0,0.0,
+CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl,0,0.0,
+CCC(C)Sc1nc2c(c(=O)n1C)SC(C)C2,0,0.0,
+CCC(C)Sc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1,0,0.0,
+CCC(C)Sc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1,0,0.0,
+CCC(C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1,0,0.0,
+CCC(C)Sc1nnc(-c2c[nH]c3ccccc23)n1CCOC,0,0.0,
+CCC(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1,0,0.0,
+CCC(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OC)cc1,0,0.0,
+CCC(C)[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O,0,0.0,
+CCC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O,0,0.0,
+CCC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(C)c2)o1,0,0.0,
+CCC(C)[C@H](N)c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1,0,0.0,
+CCC(C)[C@H](N)c1nnc(SCc2cccc(F)c2)o1,0,0.0,
+CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)O,0,0.0,
+CCC(C)[C@H](NC(=O)NC1CC1)C(=O)O,0,0.0,
+CCC(C)[C@H](NC(=O)NC1CCCc2ccccc21)C(=O)O,0,0.0,
+CCC(C)[C@H](NC(=O)NCC1CCCO1)C(=O)OC,0,0.0,
+CCC(C)[C@H](NC(=O)NCCCN1CCOCC1)C(=O)OC,0,0.0,
+CCC(C)[C@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)OC,0,0.0,
+CCC(C)[C@H](NC(=O)NCc1cccc(OC)c1)C(=O)O,0,0.0,
+CCC(C)[C@H](NC(=O)NCc1cccc(OC)c1)C(=O)OC,0,0.0,
+CCC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)O,0,0.0,
+CCC(C)[C@H](NC(=O)NCc1ccccc1Cl)C(=O)O,0,0.0,
+CCC(C)[C@H](NC(=O)NCc1ccccc1Cl)C(=O)OC,0,0.0,
+CCC(C)[C@H](NC(=O)NCc1ccco1)C(=O)O,0,0.0,
+CCC(C)[C@H](NC(=O)NCc1cccs1)C(=O)O,0,0.0,
+CCC(C)[C@H](NC(=O)NCc1cccs1)C(=O)OC,0,0.0,
+CCC(C)[C@H](NC(=O)Nc1ccc(C(C)=O)cc1)C(=O)OC,0,0.0,
+CCC(C)[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O,0,0.0,
+CCC(C)[C@H](NC(=O)Nc1cccc(OC)c1)C(=O)OC,0,0.0,
+CCC(C)c1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O,0,0.0,
+CCC(C)c1c(O)nc(SCC(=O)c2ccccc2)[nH]c1=O,0,0.0,
+CCC(C)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC,0,0.0,
+CCC(C)c1ccc(NC(=O)C2CC2)cc1,0,0.0,
+CCC(C)c1ccc(NC(=O)C2CCCN(c3ncccn3)C2)cc1,0,0.0,
+CCC(C)c1ccc(NC(=O)CC(C)=O)cc1,0,0.0,
+CCC(C)c1ccc(NC(=O)c2cccnc2)cc1,0,0.0,
+CCC(C)c1ccc(O)c(N)c1,0,0.0,
+CCC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1,0,0.0,
+CCC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1,0,0.0,
+CCC(C)c1ccc(O)c(NC(=O)c2ncn[nH]2)c1,0,0.0,
+CCC(C)c1ccc(OCC(=O)O)cc1,0,0.0,
+CCC(C)c1ccc2oc(-c3ccc(NC(=O)Cn4cnc5c(=O)n(C)c(=O)n(C)c54)cc3)nc2c1,0,0.0,
+CCC(C)c1ccc2oc(-c3ccc(NC(=O)c4ncn[nH]4)cc3)nc2c1,0,0.0,
+CCC(C)c1ccccc1NC(=O)c1cccnc1,0,0.0,
+CCC(C)n1[nH]c(=O)c2c(C)cc(C)nc21,0,0.0,
+CCC(C)n1[nH]c(=O)cc1N,0,0.0,
+CCC(C)n1c(-c2cccs2)nc2nc3ccccc3nc21,0,0.0,
+CCC(C)n1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21,0,0.0,
+CCC(C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2,0,0.0,
+CCC(C)n1c(SC(C)C#N)nc2ccccc2c1=O,0,0.0,
+CCC(C)n1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O,0,0.0,
+CCC(C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2,0,0.0,
+CCC(C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2,0,0.0,
+CCC(C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1OC,0,0.0,
+CCC(C)n1nccc1NC(=O)C(C)OC(=O)c1cc2ccccc2[nH]1,0,0.0,
+CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O,0,0.0,
+CCC(CC)C(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+CCC(CC)C(=O)N1c2ccc(F)cc2CCC1C,0,0.0,
+CCC(CC)C(=O)NCCNC(=O)C(CC)CC,0,0.0,
+CCC(CC)C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O,0,0.0,
+CCC(CC)C(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O,0,0.0,
+CCC(CC)C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O,0,0.0,
+CCC(CC)C(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O,0,0.0,
+CCC(CC)C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O,0,0.0,
+CCC(CC)C(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O,0,0.0,
+CCC(CC)C(=O)NCCc1ccc(OC)c(OC)c1,0,0.0,
+CCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CCC(CC)C(=O)NCc1ccc2c(c1)cc(C)n2C,0,0.0,
+CCC(CC)C(=O)NCc1ccccc1Cl,0,0.0,
+CCC(CC)C(=O)NCc1ccccc1OC,0,0.0,
+CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)(=O)C2,0,0.0,
+CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S+]([O-])C2,1,100.0,0.0
+CCC(CC)C(=O)Nc1c2cnn(-c3ccccc3)c2nc(=O)n1-c1ccccc1,0,0.0,
+CCC(CC)C(=O)Nc1cc(=O)n(C)c(=O)n1C,0,0.0,
+CCC(CC)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1,0,0.0,
+CCC(CC)C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,0,0.0,
+CCC(CC)C(=O)Nc1cc(C)cc(C)c1,1,100.0,
+CCC(CC)C(=O)Nc1cc(NC(=O)C(CC)CC)cc(C(=O)O)c1,0,0.0,
+CCC(CC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)O,0,0.0,
+CCC(CC)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1,0,0.0,
+CCC(CC)C(=O)Nc1cccc(C(=O)N2CCCC2)c1,0,0.0,
+CCC(CC)C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1,0,0.0,
+CCC(CC)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1,0,0.0,
+CCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccco2)c1,0,0.0,
+CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1,0,0.0,
+CCC(CC)C(=O)Nc1ccccc1NC(C)=O,0,0.0,
+CCC(CC)C(=O)Nc1nnc(-c2cccs2)s1,0,0.0,
+CCC(CC)C(=O)Nc1nnc(SCC(=O)N2CCN(c3ccccc3OC)CC2)s1,0,0.0,
+CCC(CC)C1C(C#N)=C(N)Oc2n[nH]c(C)c21,0,0.0,
+CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1,0,0.0,
+CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1,0,0.0,
+CCC(CC)NC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCC(CC)NC(=O)c1n[nH]c(=O)c2ccccc12,0,0.0,
+CCC(CC)NCc1ccc(OC)cc1OC,0,0.0,
+CCC(CC)c1nc(NCCC(=O)O)c2ccccc2n1,0,0.0,
+CCC(CC)c1nc2cc(OC)c(OC)cc2c(=O)o1,0,0.0,
+CCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1,0,0.0,
+CCC(CC)c1nnc(NS(=O)(=O)Cc2ccccc2)s1,0,0.0,
+CCC(CC)n1[nH]c(=O)c2c(C)cc(C)nc21,0,0.0,
+CCC(CC)n1[nH]c(=O)cc1N,0,0.0,
+CCC(CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)O,0,0.0,
+CCC(CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)O,0,0.0,
+CCC(CO)(C(=O)OC1CN2CCC1CC2)c1ccccc1,1,100.0,1.0
+CCC(CO)N=CC1=C(O)C(C(=O)c2ccccc2)CCC1=O,0,0.0,
+CCC(CO)N=CC1=C(O)CC(C)(C)CC1=O,0,0.0,
+CCC(CO)NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1,0,0.0,
+CCC(CO)NCCNC(CC)CO,0,0.0,
+CCC(CO)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1,0,0.0,
+CCC(CO)Nc1ncnc2c1cnn2-c1ccc(OC)cc1,0,0.0,
+CCC(CO)n1cnnc1-c1ccncc1,0,0.0,
+CCC(COC(=O)Nc1cccc(C)c1)NC(=O)OCC(C)C,0,0.0,
+CCC(COC(=O)Nc1cccc(C)c1C)NC(=O)OCC(C)C,0,0.0,
+CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,0,0.0,
+CCC(Cc1ccccc1)NC(=O)CN1C(=O)CSc2ncccc21,0,0.0,
+CCC(NC(=O)Cn1cnc2c(=O)n(C)c(=O)n(C)c21)c1ccccc1,0,0.0,
+CCC(NC(=O)NC1=NCCS1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(NC(=O)NCCCn1ccnc1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(NC(=O)NCc1ccc2c(c1)OCO2)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(NC(=O)NCc1cccnc1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(NC(=O)Nc1cc(OC)c(OC)c(OC)c1)(C(F)(F)F)C(F)(F)F,1,100.0,
+CCC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(NC(=O)Nc1ncccc1C)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(NC(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(NC(=O)Nn1cnnc1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3,0,0.0,
+CCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O,0,0.0,
+CCC(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1,0,0.0,
+CCC(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)O,0,0.0,
+CCC(NC(=O)c1ccccc1O)c1ccccc1,0,0.0,
+CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,1,100.0,0.0
+CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12,0,0.0,
+CCC(NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC2(O)CCCCC2C1,0,0.0,
+CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(NC(C)=O)cc1,0,0.0,
+CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O,0,0.0,
+CCC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O,0,0.0,
+CCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)O,0,0.0,
+CCC(O)(CCN1CCCCC1)c1ccccc1,1,100.0,1.0
+CCC(O)CNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3,0,0.0,
+CCC(O)CNc1nc(SC)nc2sc3c(c12)CCN(C)C3,1,100.0,1.0
+CCC(O)c1cc2c(cc1NC(=O)c1ccc(C)cc1)OCCO2,0,0.0,
+CCC(O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2,0,0.0,
+CCC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1,0,0.0,
+CCC(OC(=O)CC1Sc2ccccc2NC1=O)C(=O)NCC1CCCO1,0,0.0,
+CCC(OC(=O)CCc1nc2ccccc2[nH]c1=O)C(=O)c1ccccc1,0,0.0,
+CCC(OC(=O)c1cc2sccc2n1C)C(=O)NCC1CCCO1,0,0.0,
+CCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1,0,0.0,
+CCC(OC(=O)c1ccco1)C(=O)NCc1ccc(C)cc1,0,0.0,
+CCC(OC(=O)c1ccco1)C(=O)NCc1ccco1,0,0.0,
+CCC(OC(=O)c1cccs1)C(=O)NC1CCCCC1,0,0.0,
+CCC(OC(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CCC(OC(=O)c1cccs1)C(=O)NCc1ccco1,0,0.0,
+CCC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1,0,0.0,
+CCC(Oc1ccc(C)c(C)c1)C(=O)O,0,0.0,
+CCC(Oc1ccc2c(c1)C(=O)CC(C)(C)O2)C(=O)NCCN1CCCCCC1,0,0.0,
+CCC(Oc1ccc2ccccc2c1)C(=O)O,0,0.0,
+CCC(Oc1ccccc1)C(=O)N1CC(C)CC(C)C1,0,0.0,
+CCC(Oc1ccccc1)C(=O)N1CCC(C(N)=O)CC1,0,0.0,
+CCC(Oc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+CCC(Oc1ccccc1)C(=O)NCc1cccnc1,0,0.0,
+CCC(Oc1ccccc1)C(=O)Nc1cc(C)on1,0,0.0,
+CCC(Oc1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+CCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+CCC(Oc1ccccc1)C(=O)Nc1ccccc1OC,0,0.0,
+CCC(Oc1ccccc1)C(=O)Nc1ccccn1,0,0.0,
+CCC(Oc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1,0,0.0,
+CCC(Oc1ccccc1)C(=O)Nc1nnc(C)s1,0,0.0,
+CCC(SCC(=O)OC)C(=O)Nc1nnc(C(C)C)s1,0,0.0,
+CCC(Sc1ccc(C(=O)O)cc1)C(=O)O,0,0.0,
+CCC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)O,0,0.0,
+CCC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)OC,0,0.0,
+CCC(Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1)C(=O)O,0,0.0,
+CCC(Sc1ccc2nnc(-c3cccnc3)n2n1)C(=O)O,0,0.0,
+CCC(Sc1ccccn1)C(=O)Nc1nnc(C)s1,0,0.0,
+CCC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1cc(C)on1,0,0.0,
+CCC(Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)O,0,0.0,
+CCC(Sc1nc(=O)cc(N)n1-c1cccc(C)c1)C(=O)Nc1cc(C)on1,0,0.0,
+CCC(Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1cc(C)on1,0,0.0,
+CCC(Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1,0,0.0,
+CCC(Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1cc(C)on1,0,0.0,
+CCC(Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccccc1C#N,0,0.0,
+CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccc(Cl)cn1,0,0.0,
+CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1nc2c(s1)CCCC2,0,0.0,
+CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1nnc(C)s1,1,100.0,0.0
+CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1sc2c(c1C#N)CCCC2,0,0.0,
+CCC(Sc1nc(C)cc(C)n1)C(=O)O,0,0.0,
+CCC(Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[nH]1)C(=O)OC,0,0.0,
+CCC(Sc1nc(N)cc(=O)[nH]1)C(=O)NC(C(=O)OC)c1ccccc1,0,0.0,
+CCC(Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)Nc1cccc(OC)c1,0,0.0,
+CCC(Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)C(=O)OC,0,0.0,
+CCC(Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)OC,1,100.0,0.0
+CCC(Sc1nc2cc(OC)c(OC)cc2c2nc(C)nn12)C(=O)NCc1ccco1,0,0.0,
+CCC(Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)C(=O)Nc1cccc(OC)c1,0,0.0,
+CCC(Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)C(=O)Nc1ccccc1OC,0,0.0,
+CCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(C)on1,0,0.0,
+CCC(Sc1nc2ccccc2c(=O)n1CC1CCCO1)C(=O)NCc1cccnc1,0,0.0,
+CCC(Sc1nc2ccccc2c(=O)n1CCN1CCOCC1)C(=O)NCc1cccnc1,0,0.0,
+CCC(Sc1nc2ccccc2s1)C(=O)Nc1nnc(C)s1,0,0.0,
+CCC(Sc1nc2n[nH]c(C)c2c(=N)n1-c1cc(Cl)ccc1C)C(=O)N1CCOCC1,0,0.0,
+CCC(Sc1nc2n[nH]c(C)c2c(=N)n1-c1ccc(C)c(Cl)c1)C(=O)N1CCOCC1,0,0.0,
+CCC(Sc1nc2n[nH]c(C)c2c(=N)n1-c1cccc(Cl)c1)C(=O)NCCOC,0,0.0,
+CCC(Sc1nc2n[nH]c(C)c2c(=N)n1-c1cccc(Cl)c1C)C(=O)N(CC)CC,0,0.0,
+CCC(Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N)C(=O)NCC1CCCO1,0,0.0,
+CCC(Sc1ncccc1C(=O)O)C(=O)N1CCCC1,0,0.0,
+CCC(Sc1ncccc1C(=O)O)C(=O)N1CCOCC1,0,0.0,
+CCC(Sc1ncccc1C(=O)OCCN1CCCC1=O)C(=O)NCc1ccco1,0,0.0,
+CCC(Sc1nccn1C)C(=O)Nc1nnc(C)s1,0,0.0,
+CCC(Sc1ncnc2c1nnn2-c1ccc(F)cc1)C(=O)OC,1,100.0,0.0
+CCC(Sc1nnc(-c2ccc(C)c(Cl)c2)n1CC)C(=O)Nc1nccs1,0,0.0,
+CCC(Sc1nnc(C)s1)C(=O)Nc1nccs1,0,0.0,
+CCC(Sc1nncn1C)C(=O)Nc1ccccc1OC,0,0.0,
+CCC(Sc1nncn1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1,0,0.0,
+CCC(Sc1nncn1C)C(=O)Nc1nnc(-c2ccccc2Cl)s1,0,0.0,
+CCC(Sc1nnnn1-c1ccccc1)C(=O)NC(C)c1ccccc1,0,0.0,
+CCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1nc2ccccc2s1,0,0.0,
+CCC(Sc1nnnn1C)C(=O)Nc1ccc(C(C)=O)cc1,0,0.0,
+CCC(Sc1nnnn1C)C(=O)Nc1nccs1,0,0.0,
+CCC(c1c(C)[nH]oc1=O)c1c(C)[nH]oc1=O,0,0.0,
+CCC(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+CCC(c1ccccc1)c1nc(-c2ccccn2)no1,1,100.0,0.0
+CCC(c1nc2ccccc2c(=O)n1-c1cccnc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CCC(c1nc2ccccc2c(=O)n1CCCn1ccnc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CCC(c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1Cc1ccccc1)N(C)C,0,0.0,
+CCC(c1nnc(SCC(=O)N2CC3(C)CC2CC(C)(C)C3)o1)N(C)C,0,0.0,
+CCC(c1nnc(SCC(=O)NCC2CCCO2)n1Cc1ccccc1)N(C)C,0,0.0,
+CCC(c1nnc(SCC(=O)NCCc2ccc(Cl)cc2Cl)o1)N(C)C,0,0.0,
+CCC(c1nnc(SCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)o1)N(C)C,0,0.0,
+CCC(c1nnc(SCC(=O)Nc2nnc(-c3ccccc3)o2)n1Cc1ccccc1)N(C)C,0,0.0,
+CCC(c1nnc(SCC(=O)Nc2nnc(-c3ccccc3)o2)o1)N(C)C,0,0.0,
+CCC(c1nnc(SCCNCCO)n1CCN1CCOCC1)N(C)C,0,0.0,
+CCC(c1nnc(SCc2nc3ccccc3s2)n1Cc1ccccc1)N(C)C,0,0.0,
+CCC(c1nnnn1C(C)(C)C)N(CCOC)Cc1cc2cccc(C)c2n2nnnc12,0,0.0,
+CCC(c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1,0,0.0,
+CCC(c1nnnn1C(C)(C)C)N1CCN(c2cc(Cl)ccc2C)CC1,0,0.0,
+CCC(c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O,0,0.0,
+CCC(c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O,0,0.0,
+CCC(c1nnnn1C(C)C)N1CCN(C2CCCC2)CC1,0,0.0,
+CCC(c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O,0,0.0,
+CCC(c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O,1,100.0,
+CCC(c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1,0,0.0,
+CCC(c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O,0,0.0,
+CCC(c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1,0,0.0,
+CCC(c1nnnn1CC1CCCO1)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O,0,0.0,
+CCC(c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1,0,0.0,
+CCC(c1nnnn1CCOC)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O,0,0.0,
+CCC(c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCC(c1nnnn1CCOC)N1CCN(Cc2ccccc2)CC1,0,0.0,
+CCC(c1nnnn1CCOC)N1CCN(Cc2ccccc2OC)CC1,0,0.0,
+CCC(c1nnnn1CCOC)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+CCC(c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O,0,0.0,
+CCC(c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O,0,0.0,
+CCC(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCC(c1nnnn1CCc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1,0,0.0,
+CCC(c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+CCC(c1nnnn1Cc1ccc(F)cc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0.0,
+CCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1,0,0.0,
+CCC(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+CCC(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccc(OC)cc2)CC1,0,0.0,
+CCC(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1,0,0.0,
+CCC(c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O,0,0.0,
+CCC(c1nnnn1Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCC(c1nnnn1Cc1ccco1)N(CCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O,0,0.0,
+CCC(c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O,0,0.0,
+CCC(c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O,0,0.0,
+CCC(c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O,0,0.0,
+CCC(c1nnnn1Cc1ccco1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)CC1CCCO1,0,0.0,
+CCC(c1nnnn1Cc1ccco1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1,0,0.0,
+CCC(c1nnnn1Cc1ccco1)N(Cc1ccccc1OC)Cc1cc2cc(C)ccc2[nH]c1=O,1,100.0,0.0
+CCC(c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1,0,0.0,
+CCC(c1nnnn1Cc1ccco1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCC(c1nnnn1Cc1ccco1)N1CCN(c2cc(Cl)ccc2C)CC1,0,0.0,
+CCC(c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1,0,0.0,
+CCC(c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+CCC/C(=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O)N1CCCC1,0,0.0,
+CCC/C(=N\O)c1c[nH]c2ccccc12,0,0.0,
+CCC/C(O)=C1\C(=O)CC(C)(C)CC1=NCCO,0,0.0,
+CCC/C(O)=C1\C(=O)CC(C)(C)CC1=Nc1ccc(OC)cc1OC,0,0.0,
+CCC/C(O)=C1\C(=O)CC(C)(C)CC1=Nc1ccccc1OC,1,100.0,0.0
+CCC/C(O)=C1\C(=O)CCCC1=NC(C)C(=O)O,0,0.0,
+CCC1(C(=O)O)NC(c2cc(OC)ccc2O)C2C(=O)N(Cc3ccccc3)C(=O)C21,0,0.0,
+CCC1(C(=O)O)NC(c2cccc(OC)c2O)C2C(=O)N(c3ccccc3)C(=O)C21,0,0.0,
+CCC1(C(=O)O)NC(c2ccccc2O)C2C(=O)N(Cc3ccccc3)C(=O)C21,0,0.0,
+CCC1(C(=O)OC)NC(c2cccc(F)c2)C2C(=O)N(C)C(=O)C21,0,0.0,
+CCC1(C(=O)OC)NC(c2ccccc2OC)C2C(=O)N(C)C(=O)C21,0,0.0,
+CCC1(C(=O)OC)NC(c2ccco2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21,0,0.0,
+CCC1(C(=O)OC)NC(c2ccco2)C2C(=O)N(c3ccccc3)C(=O)C21,0,0.0,
+CCC1(C)C2(C#N)C(N)=NC(OC)(OC)C12C#N,0,0.0,
+CCC1(C)CC(=O)N(c2ccc(C(=O)O)c(O)c2)C1=O,0,0.0,
+CCC1(C)CC(CC(=O)O)(c2ccccc2OC)CCO1,0,0.0,
+CCC1(C)CC(c2csc(N)n2)CCO1,0,0.0,
+CCC1(C)Cc2c(C#N)c(N)n(-c3ccccc3)c(=O)c2CO1,0,0.0,
+CCC1(C)Cc2c(C#N)c(N)n(N)c(=S)c2CO1,0,0.0,
+CCC1(C)Cc2c(C#N)c(N)sc(=S)c2CO1,0,0.0,
+CCC1(C)Cc2c(c(=O)n(-c3ccccc3)c3ncnc(N)c23)CO1,0,0.0,
+CCC1(C)Cc2c(sc(NC(=O)CCC(=O)O)c2C#N)CO1,0,0.0,
+CCC1(C)Cc2c(sc3[nH]c(=O)[nH]c(=O)c23)CS1,0,0.0,
+CCC1(C)Cc2c(sc3c2c(=O)n(C)c2nnc(SCC(=O)c4ccc(Cl)cc4)n32)CO1,0,0.0,
+CCC1(C)Cc2c(sc3c2c(=O)n(C)c2nnc(SCC(=O)c4ccccc4)n32)CO1,0,0.0,
+CCC1(C)Cc2c(sc3c2c(=O)n(C)c2nnc(SCCc4ccccc4)n32)CO1,1,100.0,1.0
+CCC1(C)Cc2c(sc3c2c(=O)n(C)c2nnc(SCc4ccc5c(c4)OCO5)n32)CO1,0,0.0,
+CCC1(C)Cc2c(sc3c2c(=O)n(C)c2nnc(SCc4ccccc4)n32)CO1,0,0.0,
+CCC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)NCc4ccco4)n32)CO1,0,0.0,
+CCC1(C)Cc2c(sc3nc(NC)n(C)c(=O)c23)CO1,0,0.0,
+CCC1(C)Cc2c(sc3nc(SCC(=O)O)[nH]c(=O)c23)CO1,0,0.0,
+CCC1(C)Cc2c(sc3nc4n(c(=O)c23)CCCS4)CO1,1,100.0,0.0
+CCC1(C)Cc2c(sc3nc4n(c(=O)c23)CCS4)CO1,0,0.0,
+CCC1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnnn21,0,0.0,
+CCC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c21,0,0.0,
+CCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CC(C(=O)O)S3,0,0.0,
+CCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCCCC3,1,100.0,1.0
+CCC1(C)Cc2ccccc2/C(=C/C(=O)N2CCCCC2)N1,1,100.0,1.0
+CCC1(C)Cc2nc3sc(C(=O)O)c(N)c3cc2CO1,0,0.0,
+CCC1(C)N(O)C(C)(C)C(c2ccc(OC)cc2)=[N+]1[O-],0,0.0,
+CCC1(C)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O,0,0.0,
+CCC1(C)Nc2ccccc2C(=O)N1O,0,0.0,
+CCC1(C)OC(=O)N2CCc3c(C)[nH]c4c(C)ccc(c34)C21C,0,0.0,
+CCC1(CC)C(=O)C(C)(C)C(=O)OC1c1ccccn1,0,0.0,
+CCC1(CC)C(=O)C(C)(C)C(=O)OC1c1cccs1,0,0.0,
+CCC1(CC)C(=O)N(C)C(=O)NC1=NCc1ccccc1,0,0.0,
+CCC1(CC)C(=O)N(C)C(=O)NC1=Nc1ccccc1,0,0.0,
+CCC1(CC)C(=O)N=C2c3ccccc3C(=O)N21,0,0.0,
+CCC1(CC)C(=O)NC(=NCCc2c[nH]c3ccccc23)NC1=O,0,0.0,
+CCC1(CC)C(=O)NC(=Nc2cccc(C(F)(F)F)c2)NC1=O,0,0.0,
+CCC1(CC)C(=O)NC(=O)NC1=NCCc1c[nH]c2ccccc12,0,0.0,
+CCC1(CC)C(=O)NC(=O)NC1=NCCc1ccc(O)cc1,0,0.0,
+CCC1(CC)C(=O)NC(=O)NC1=Nc1cccc(OC)c1,0,0.0,
+CCC1(CC)Cc2ccccc2-c2nc(CN3CCOCC3)[nH]c(=O)c21,0,0.0,
+CCC1(CC)Cc2ccccc2C(N)=C1C#N,0,0.0,
+CCC1(CC)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O,0,0.0,
+CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cc(C)ccc2C)C1=O,0,0.0,
+CCC1(CC)NC(=O)N(CC(=O)OCn2nnc3ccccc3c2=O)C1=O,0,0.0,
+CCC1(CC)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O,0,0.0,
+CCC1(CC)NC(=O)NC1=O,0,0.0,
+CCC1(CC)Nc2ccccc2C(=O)N1c1ccc(NC(C)=O)cc1,0,0.0,
+CCC1(COC(=O)Nc2cccc(Cl)c2)COC1,0,0.0,
+CCC1(COC(NC(=O)c2cccnc2)(C(F)(F)F)C(F)(F)F)COC1,0,0.0,
+CCC1(N(C(C)=O)c2ccc(OC)cc2)C(=O)c2ccccc2C1=O,0,0.0,
+CCC1(NC(C)=O)CC2CC1CC2NC(C)=O,0,0.0,
+CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O,0,0.0,
+CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O,0,0.0,
+CCC1(c2cccc(Cl)c2)NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O,0,0.0,
+CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(COC)C1=O,0,0.0,
+CCC1(c2ccccc2)C(=O)NCNC1=O,0,0.0,
+CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O,0,0.0,
+CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O,0,0.0,
+CCC12CC3CC(C1)CC(C(=O)Nc1nn[nH]n1)(C3)C2,0,0.0,
+CCC12CC3CC(C1)CC(C(=O)O)(C3)C2,0,0.0,
+CCC12CCCN3CCC4(C(=C(C(=O)OC)C1)Nc1ccccc14)C32,0,0.0,
+CCC12CN(C(=O)c3ccc(OC)cc3)CC(CC)(CN(C(=O)c3ccc(OC)cc3)C1)C2=O,0,0.0,
+CCC12CN3CC(CC)(CN(C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O,0,0.0,
+CCC12CN3CC(CC)(CN(C1)C3c1c(O)ccc3ccccc13)C2=O,0,0.0,
+CCC12CN3CC(CC)(CN(C1)C3c1ccc(OC(C)C)cc1)C2=O,0,0.0,
+CCC12CN3CC(CC)(CN(C1)C3c1ccccc1Cl)C2O,0,0.0,
+CCC12CN3CCN(CC(C3)/C1=N\O)C2,0,0.0,
+CCC1=C(C(=O)OC)C(c2cc(OC)ccc2OC)C(C#N)=C(N)O1,0,0.0,
+CCC1=C/C(=C/N(C)c2ccccc2)C(=O)S1,0,0.0,
+CCC1=NC(c2ccc(OC)cc2OC)N(O)C1(C)C,0,0.0,
+CCC1=NC(c2ccccc2Cl)N(O)C1(C)C,0,0.0,
+CCC1=NC(c2ccccc2OC)N(O)C1(C)C,1,100.0,1.0
+CCC1=NP(N2CCOCC2)(N2CCOCC2)=NC(N2CCOCC2)=C1C,0,0.0,
+CCC1=Nc2ccccc2-c2nnc(SC)nc2O1,0,0.0,
+CCC1=Nc2ccccc2NC2=C1C(=O)CCC2,0,0.0,
+CCC1=[N+]([O-])C(C)(/C(C)=N\O)N(O)C1(C)C,0,0.0,
+CCC1C(=O)N=C(SCC(=O)Nc2ccc(C(=O)OC)cc2)NC1=O,0,0.0,
+CCC1C(=O)N=C(SCC(=O)Nc2cccc3ccccc23)NC1=O,0,0.0,
+CCC1C(=O)n2nc(-c3ccccc3)cc2N=C1C,0,0.0,
+CCC1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,0,0.0,
+CCC1C(C#N)=C(SC)NC2=C1C(=O)CC(C)(C)C2,0,0.0,
+CCC1C(O)=C(c2ccccn2)C(=N)N1c1ccccc1,0,0.0,
+CCC1C2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N,0,0.0,
+CCC1CC(C)(C(=O)Nc2ccc(S(N)(=O)=O)cc2)OC1=O,0,0.0,
+CCC1CC2(C)NC(=O)c3c(sc4c3CC(C)(C)OC4)N2C1=O,0,0.0,
+CCC1CCC(NC2CCCCNC2=O)CC1,0,0.0,
+CCC1CCC2(CC1)NC(CO)(CO)CO2,0,0.0,
+CCC1CCCCN1C(=O)C1CC(c2cc(Cl)c(OC)cc2OC)=NO1,0,0.0,
+CCC1CCCCN1C(=O)COC(=O)c1cc2ccccc2cc1O,0,0.0,
+CCC1CCCCN1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CCC1CCCCN1C(=O)COc1cc(=O)n(C)c2ccccc12,0,0.0,
+CCC1CCCCN1C(=O)CSc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[nH]1,0,0.0,
+CCC1CCCCN1C(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1,0,0.0,
+CCC1CCCCN1C(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1C,0,0.0,
+CCC1CCCCN1C(=O)CSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1,0,0.0,
+CCC1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1,0,0.0,
+CCC1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1,0,0.0,
+CCC1CCCCN1C(=O)CSc1nnc(-c2ccc(OC)cc2)o1,0,0.0,
+CCC1CCCCN1C(=O)CSc1nnc(-c2cccc(Cl)c2)o1,0,0.0,
+CCC1CCCCN1C(=O)CSc1nnc(-c2ccco2)o1,0,0.0,
+CCC1CCCCN1C(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1,0,0.0,
+CCC1CCCCN1C(=O)CSc1nnc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)o1,0,0.0,
+CCC1CCCCN1C(=O)CSc1nnc(CNC(=O)c2ccco2)o1,0,0.0,
+CCC1CCCCN1C(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2sccc21,0,0.0,
+CCC1CCCCN1C(=O)Cn1c(C(=O)OC)cc2ccsc21,0,0.0,
+CCC1CCCCN1C(=O)Cn1c(C(=O)OC)cc2sc(Cl)cc21,0,0.0,
+CCC1CCCCN1C(=O)N[C@@H](CCSC)C(=O)OC,0,0.0,
+CCC1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,0,0.0,
+CCC1CCCCN1C(=O)Nc1ccc(F)cc1,0,0.0,
+CCC1CCCCN1C(=O)Nc1cccc(NC(=O)N2CCCCC2CC)c1,0,0.0,
+CCC1CCCCN1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,0,0.0,
+CCC1CCCCN1C(=O)c1cc2cc(Br)ccc2oc1=O,0,0.0,
+CCC1CCCCN1C(=O)c1nn2cccnc2c1Cl,0,0.0,
+CCC1CCCCN1C1Sc2ccc(C(=O)OC)cc2NC1=O,0,0.0,
+CCC1CCCCN1CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1,0,0.0,
+CCC1CCCCN1CC(=O)c1c(C)[nH]c2ccccc12,0,0.0,
+CCC1CCCCN1CCCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1,0,0.0,
+CCC1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+CCC1CCCCN1CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,0,0.0,
+CCC1CCCCN1CCCNC(=O)CC1Oc2ccccc2NC1=O,0,0.0,
+CCC1CCCCN1CCCNC(=O)CNC(=O)Cn1ccc2ccccc2c1=O,0,0.0,
+CCC1CCCCN1CCCNC(=O)COc1cc(=O)n(C)c2ccccc12,0,0.0,
+CCC1CCCCN1CCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O,0,0.0,
+CCC1CCCCN1CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1,0,0.0,
+CCC1CCCCN1CCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12,1,100.0,1.0
+CCC1CCCCN1CCCn1c(=S)[nH]c2ccccc2c1=O,0,0.0,
+CCC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1,1,100.0,1.0
+CCC1CCCCN1CCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1,0,0.0,
+CCC1CCCCN1CCNC(=O)c1[nH]c(C)c(C(C)=O)c1C,0,0.0,
+CCC1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O,0,0.0,
+CCC1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+CCC1CCCCN1CCn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCC1CCCCN1Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1,0,0.0,
+CCC1CCCCN1Cc1ccc(OC)c(OC)c1,0,0.0,
+CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C,0,0.0,
+CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C,0,0.0,
+CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12,0,0.0,
+CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1,0,0.0,
+CCC1CCCCN1P(=O)(c1ccc(C)o1)C(C)(C)C,0,0.0,
+CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1,0,0.0,
+CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,0,0.0,
+CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,0,0.0,
+CCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)cc1,1,100.0,
+CCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC)CC2)cc1,0,0.0,
+CCC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1,0,0.0,
+CCC1CCCCN1c1nc(-c2cccc(OC)c2O)nc2ccccc12,0,0.0,
+CCC1CCCCN1c1nc(-c2ccncc2)nc2ccccc12,0,0.0,
+CCC1CCCCN1c1nc2c(c(=O)n(C)c(=O)n2C)n1CCSc1nc2ccccc2o1,1,100.0,
+CCC1CCCN1Cn1cnc2c([nH]c3ccc(OC)cc32)c1=O,0,0.0,
+CCC1CCCN1Cn1cnc2c([nH]c3ccccc32)c1=O,0,0.0,
+CCC1CCc2c(sc(NC(=O)c3ccoc3C)c2C(N)=O)C1,0,0.0,
+CCC1CCc2c(sc3ncnc(N4CCOCC4)c23)C1,0,0.0,
+CCC1CCc2sc(C(=O)O)cc2C1,0,0.0,
+CCC1Cc2c(nc3c4c(nc(N5CCOCC5)c(C#N)c24)NC(C)=N3)O1,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccc3c(c2)OCO3)CC2CCCO2)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)N(Cc2cccnc2)Cc2ccc(C)o2)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)NCCC2=CCCCC2)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)NCCCN2CCCCC2CC)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)NCCN2C(C)CCCC2C)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)NCCN2CCCCCC2)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)NCCN2CCN(Cc3ccccc3)CC2)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)NCCc2ccc(OC)c(OC)c2)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)NCc2cc(OC)ccc2OC)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)NCc2cccc(OC)c2)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(CC(=O)NCc2ccccc2OC)C1=O,0,0.0,
+CCC1Oc2ccc(C)cc2N(Cc2cccc(C)c2)C1=O,0,0.0,
+CCC1Oc2ccc(Cl)cc2N(CC(=O)O)C1=O,0,0.0,
+CCC1Oc2ccccc2N(CC(=O)NCCC2=CCCCC2)C1=O,0,0.0,
+CCC1Oc2ccccc2N(CC(=O)NCCCN2CCC(C)CC2)C1=O,0,0.0,
+CCC1Oc2ccccc2N(CC(=O)NCCCN2CCCCC2C)C1=O,0,0.0,
+CCC1Oc2ccccc2N(CC(=O)NCCCN2CCCCC2CC)C1=O,0,0.0,
+CCC1Oc2ccccc2N(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1=O,0,0.0,
+CCC1Oc2ccccc2N(CC(=O)NCCCN2CCOCC2)C1=O,0,0.0,
+CCC1Oc2ccccc2N(CC(=O)NCCN2C(C)CCCC2C)C1=O,0,0.0,
+CCC1Oc2ccccc2N(CC(=O)NCCN2CCc3ccccc3C2)C1=O,1,100.0,1.0
+CCC1Oc2ccccc2N(CC(=O)Nc2ccc(OC)cc2OC)C1=O,0,0.0,
+CCC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O,0,0.0,
+CCC1Oc2ccccc2N(CC(=O)Nc2ccccc2OC)C1=O,0,0.0,
+CCC1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)c1ccccc1,0,0.0,
+CCC1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O,0,0.0,
+CCC1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O,0,0.0,
+CCC1S/C(=C(\C#N)C(N)=O)N(c2ccc(F)cc2)C1=O,0,0.0,
+CCC1SC(=NC(=O)c2ccc(Cl)c(Cl)c2)NC1=O,0,0.0,
+CCC1SC(N)=NC1=O,0,0.0,
+CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(C(=O)OC)cc3)N2C1=O,0,0.0,
+CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(C)cc3)N2C1=O,0,0.0,
+CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccs3)N2C1=O,0,0.0,
+CCC1SC2=NC(C)=C(C(=O)OCCOC)C(c3ccc(C(=O)OC)cc3)N2C1=O,0,0.0,
+CCC1SC2=NCCN2C1(O)c1ccc(Cl)cc1,0,0.0,
+CCC1SC2=NCN(c3ccccc3)CN2C1=O,0,0.0,
+CCC1Sc2ccccc2N(CC(=O)NC2CCCC2)C1=O,0,0.0,
+CCC1Sc2ccccc2N(CC(=O)NCCC(C)C)C1=O,0,0.0,
+CCC1Sc2ccccc2N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O,0,0.0,
+CCC1c2ccc(C)n2CCN1C(=O)Nc1cc(Cl)ccc1OC,0,0.0,
+CCC1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)cc1,0,0.0,
+CCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1OC,0,0.0,
+CCCC(=C1C(=O)CC(CC(C)SCC)CC1=O)N1CCCC1,0,0.0,
+CCCC(=N)C1=C(O)CC(CC(C)SCC)CC1=O,0,0.0,
+CCCC(=NCC(=O)O)C1=C(O)C(C(=O)OC)C(C)(C)CC1=O,0,0.0,
+CCCC(=Nc1ccccc1)C1=C(O)C(C(=O)OC)C(C)(C)CC1=O,0,0.0,
+CCCC(=O)C1=C(N(C)c2ccccc2)CC(C)(C)C(C(=O)OC)C1=O,0,0.0,
+CCCC(=O)C1=C(N2CCCC2)CC(CC(C)SCC)CC1=O,0,0.0,
+CCCC(=O)C1=C(O)C(C(=O)OC)C(C)(C)CC1=N,0,0.0,
+CCCC(=O)C1=C(O)C(C(=O)OC)C(C)(C)CC1=NC,0,0.0,
+CCCC(=O)C1=C(O)C(C(=O)OC)C(C)(C)CC1=Nc1ccccc1,0,0.0,
+CCCC(=O)C1=C(O)C(C(=O)OC)C(C)(C)CC1=Nc1ccncc1,0,0.0,
+CCCC(=O)C1=C(SCC)CC(C)(C)C(C(=O)OC)C1=O,0,0.0,
+CCCC(=O)C1=C(c2ccccc2)C(C#N)(C#N)C(C#N)=C1N,0,0.0,
+CCCC(=O)C1C(=O)CC(C)(C)C(c2cc(C)no2)C1=O,0,0.0,
+CCCC(=O)C1C(=O)NC(=O)NC1=O,0,0.0,
+CCCC(=O)N(C)c1nnc(-c2ccc(OC)cc2)s1,0,0.0,
+CCCC(=O)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1OC,0,0.0,
+CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1OC,0,0.0,
+CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1OC,0,0.0,
+CCCC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+CCCC(=O)N(c1ccc(OC)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+CCCC(=O)N(c1ccc(OCC)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+CCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1,0,0.0,
+CCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1,0,0.0,
+CCCC(=O)N1CC(=O)Nc2ccc(C)cc2C1c1ccc(F)cc1,0,0.0,
+CCCC(=O)N1CC(=O)Nc2ccc(F)cc2C1c1ccccc1,0,0.0,
+CCCC(=O)N1CC2(C)CN(C(=O)CCC)CC(CCC)(C1)C2=O,0,0.0,
+CCCC(=O)N1CC2(CCC)CN(C(=O)CCC)CC(CCC)(C1)C2=O,0,0.0,
+CCCC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,0,0.0,
+CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1,0,0.0,
+CCCC(=O)N1CCN(c2ccc(C(=O)c3ccc(OC)c(Br)c3)cc2F)CC1,0,0.0,
+CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1,0,0.0,
+CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1,0,0.0,
+CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1,0,0.0,
+CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1,0,0.0,
+CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1,0,0.0,
+CCCC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CCC3)CC1,0,0.0,
+CCCC(=O)N1CCc2[nH]c3ccccc3c2C1,0,0.0,
+CCCC(=O)N1CCc2cc(-c3nc(N)sc3C)ccc21,0,0.0,
+CCCC(=O)N1c2ccc(-c3csc(N)n3)cc2CC1C,0,0.0,
+CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1ccc(F)cc1,0,0.0,
+CCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C,0,0.0,
+CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(C(C)=O)cc1,0,0.0,
+CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(CC)cc1,0,0.0,
+CCCC(=O)N=c1sc2cccc(F)c2n1C,0,0.0,
+CCCC(=O)NC(C)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CCCC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+CCCC(=O)NC(C)c1nc2ccccc2n1C,0,0.0,
+CCCC(=O)NC(C)c1nc2ccccc2n1C(C)C,0,0.0,
+CCCC(=O)NC(C)c1nc2ccccc2n1CC,0,0.0,
+CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)(C(=O)OCC)C(F)(F)F,0,0.0,
+CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(=O)OCC)C(F)(F)F,0,0.0,
+CCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O,0,0.0,
+CCCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21,0,0.0,
+CCCC(=O)NC1C2CC3CC(C2)CC1C3,0,0.0,
+CCCC(=O)NCCCCNC(=O)CCC,0,0.0,
+CCCC(=O)NCCCc1nc2ccccc2[nH]1,0,0.0,
+CCCC(=O)NCCCc1nc2ccccc2n1C,0,0.0,
+CCCC(=O)NCCCc1nc2ccccc2n1C(C)C,0,0.0,
+CCCC(=O)NCCCc1nc2ccccc2n1CC,0,0.0,
+CCCC(=O)NCCCc1nc2ccccc2n1CCC,0,0.0,
+CCCC(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O,0,0.0,
+CCCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O,0,0.0,
+CCCC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O,0,0.0,
+CCCC(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O,0,0.0,
+CCCC(=O)NCCc1nc2ccccc2n1C,0,0.0,
+CCCC(=O)NCCc1nc2ccccc2n1CCC,0,0.0,
+CCCC(=O)NCc1ccc2c(c1)cc(C)n2C,0,0.0,
+CCCC(=O)NCc1nc2ccccc2n1C,0,0.0,
+CCCC(=O)Nc1c(C(=O)OCC)[nH]c2ccccc12,0,0.0,
+CCCC(=O)Nc1c(C)nn(C(=O)CCC)c1C,0,0.0,
+CCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2,0,0.0,
+CCCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2,0,0.0,
+CCCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)(=O)C2,0,0.0,
+CCCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S+]([O-])C2,0,0.0,
+CCCC(=O)Nc1cc(-c2cn3cccnc3n2)ccc1OC,0,0.0,
+CCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1N1CCCCC1,0,0.0,
+CCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC,0,0.0,
+CCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCOCC1,0,0.0,
+CCCC(=O)Nc1cc(=O)[nH]c2ncnn12,0,0.0,
+CCCC(=O)Nc1cc(=O)n(C)c(=O)n1C,0,0.0,
+CCCC(=O)Nc1cc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1,0,0.0,
+CCCC(=O)Nc1cc(C)c(NC(=O)Cc2ccccc2)cn1,0,0.0,
+CCCC(=O)Nc1cc(C)c(NC(=O)c2ccccn2)cn1,0,0.0,
+CCCC(=O)Nc1cc(C)c(NC(=O)c2ccncc2)cn1,0,0.0,
+CCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,0,0.0,
+CCCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1,0,0.0,
+CCCC(=O)Nc1cc(OC)c(NC(=O)NC2CCCCC2)cc1OC,0,0.0,
+CCCC(=O)Nc1cc(OCC)c(NC(=O)NC2CCCCC2)cc1OCC,0,0.0,
+CCCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2,0,0.0,
+CCCC(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)c(O)c1,0,0.0,
+CCCC(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1,0,0.0,
+CCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1,0,0.0,
+CCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1,0,0.0,
+CCCC(=O)Nc1ccc(C(=O)NCC(=O)OCC)cc1,0,0.0,
+CCCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1,0,0.0,
+CCCC(=O)Nc1ccc(C(=O)Nc2nnc(COC)s2)cc1,0,0.0,
+CCCC(=O)Nc1ccc(C(=O)O)cc1NC(=O)CCC,0,0.0,
+CCCC(=O)Nc1ccc(C(=O)n2nnc3ccccc32)cc1,0,0.0,
+CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)C)c1,0,0.0,
+CCCC(=O)Nc1ccc(Cl)c(NC(=O)CC)c1,0,0.0,
+CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)o2)c1,0,0.0,
+CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1,0,0.0,
+CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccco2)c1,0,0.0,
+CCCC(=O)Nc1ccc(N2CCCCC2)cc1,0,0.0,
+CCCC(=O)Nc1ccc(N2CCN(C(=O)CCC)CC2)cc1,0,0.0,
+CCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1,0,0.0,
+CCCC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1,0,0.0,
+CCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1,0,0.0,
+CCCC(=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+CCCC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1,0,0.0,
+CCCC(=O)Nc1ccc(NC(=O)C2CC2)cn1,0,0.0,
+CCCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cn1,0,0.0,
+CCCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cn1,0,0.0,
+CCCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1,0,0.0,
+CCCC(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)nc1,0,0.0,
+CCCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1,0,0.0,
+CCCC(=O)Nc1ccc(NC(=O)c2ccccc2OC)cn1,0,0.0,
+CCCC(=O)Nc1ccc(NC(=O)c2ccccn2)cn1,0,0.0,
+CCCC(=O)Nc1ccc(NC(=O)c2ccco2)c(OC)c1,0,0.0,
+CCCC(=O)Nc1ccc(NC(=O)c2ccco2)cn1,0,0.0,
+CCCC(=O)Nc1ccc(NC(=O)c2cccs2)cn1,0,0.0,
+CCCC(=O)Nc1ccc(OCC(=O)OC)cc1,0,0.0,
+CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1,0,0.0,
+CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1,0,0.0,
+CCCC(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)O)C2=O,0,0.0,
+CCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C,0,0.0,
+CCCC(=O)Nc1ccc2c(c1)nc1n2CCOC1,0,0.0,
+CCCC(=O)Nc1ccc2c(c1)nc1n2CCSC1,0,0.0,
+CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3nccs3)sc2c1,0,0.0,
+CCCC(=O)Nc1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1,0,0.0,
+CCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1,1,100.0,0.0
+CCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,0,0.0,
+CCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1,0,0.0,
+CCCC(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1,0,0.0,
+CCCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1,0,0.0,
+CCCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1,0,0.0,
+CCCC(=O)Nc1cccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1,0,0.0,
+CCCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1,0,0.0,
+CCCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1,0,0.0,
+CCCC(=O)Nc1cccc2c1CCCC2,0,0.0,
+CCCC(=O)Nc1ccccc1-c1nnc(SC)[nH]c1=O,0,0.0,
+CCCC(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc(OC)cc2)n1,0,0.0,
+CCCC(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc(OCC)cc2)n1,0,0.0,
+CCCC(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1,0,0.0,
+CCCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1,0,0.0,
+CCCC(=O)Nc1ccccc1NC(=O)C1CCCCC1,0,0.0,
+CCCC(=O)Nc1ccccc1NC(=O)CCC,0,0.0,
+CCCC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CCCC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1,0,0.0,
+CCCC(=O)Nc1ccccc1NC(C)=O,0,0.0,
+CCCC(=O)Nc1cccn(Cc2ccccc2Br)c1=O,0,0.0,
+CCCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C,0,0.0,
+CCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1,0,0.0,
+CCCC(=O)Nc1nc(C(=O)OCC)cs1,0,0.0,
+CCCC(=O)Nc1nc2c(OC)ccc(OC)c2s1,0,0.0,
+CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Br)o3)cc2s1,0,0.0,
+CCCC(=O)Nc1nc2ccc(OC)cc2s1,0,0.0,
+CCCC(=O)Nc1nc2ccc(OCC)cc2s1,0,0.0,
+CCCC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1,0,0.0,
+CCCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,0,0.0,
+CCCC(=O)Nc1nc2ccc3nc(C)sc3c2s1,0,0.0,
+CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC,0,0.0,
+CCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12,0,0.0,
+CCCC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12,0,0.0,
+CCCC(=O)Nc1nn(CCC)c2nc3ccccc3cc12,0,0.0,
+CCCC(=O)Nc1nnc(-c2ccc(Cl)s2)o1,0,0.0,
+CCCC(=O)Nc1nnc(-c2cccc(OCC)c2)s1,0,0.0,
+CCCC(=O)Nc1nnc(-c2ccco2)s1,0,0.0,
+CCCC(=O)Nc1nnc(CC(=O)N2CCCC2)s1,0,0.0,
+CCCC(=O)Nc1nnc(CC(=O)OCC)s1,0,0.0,
+CCCC(=O)Nc1nnc(COC)s1,0,0.0,
+CCCC(=O)Nc1nnc(Cc2ccccc2)s1,0,0.0,
+CCCC(=O)Nc1nnc(Sc2ccc(N(C)C)cc2)s1,0,0.0,
+CCCC(=O)Nc1sc(C(=O)OC)c(C)c1C(N)=O,0,0.0,
+CCCC(=O)Nc1sc2c(c1C#N)CCCC2,0,0.0,
+CCCC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,0,0.0,
+CCCC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,0,0.0,
+CCCC(=O)OCCNC(=O)c1cc2ccccc2oc1=O,0,0.0,
+CCCC(=O)OCC[N+](C)(C)C,1,100.0,
+CCCC(=O)OCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C,0,0.0,
+CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,0,0.0,
+CCCC(=O)c1c(C)c2ccccc2n1C,0,0.0,
+CCCC(=O)c1c(NC(C)C)cc(C)oc1=O,0,0.0,
+CCCC(=O)c1c(NC)cc(C)oc1=O,0,0.0,
+CCCC(=O)c1c(O)[nH]c(=O)[nH]c1=O,0,0.0,
+CCCC(=O)c1cc(-c2nc3ccccc3n2C)n(C)c1,0,0.0,
+CCCC(=O)c1cc(F)c(N2CCN(C(=O)OCC)CC2)cc1C,0,0.0,
+CCCC(=O)c1cc(F)c(N2CCN(CCC#N)CC2)cc1C,0,0.0,
+CCCC(=O)c1cc(F)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C,0,0.0,
+CCCC(=O)c1cc(F)c(N2CCOCC2)cc1C,0,0.0,
+CCCC(=O)c1cc2cc(Cl)ccc2oc1=O,0,0.0,
+CCCC(=O)c1cc2ccccc2oc1=O,0,0.0,
+CCCC(=O)c1ccc(C(C)CCC(=O)O)cc1,0,0.0,
+CCCC(=O)c1ccc(N2CCCCCC2)c(F)c1,0,0.0,
+CCCC(=O)c1ccc(N2CCN(C(=O)OCC)CC2)c(F)c1,0,0.0,
+CCCC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1,0,0.0,
+CCCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1,0,0.0,
+CCCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)c(F)c1,1,100.0,
+CCCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(F)c1,0,0.0,
+CCCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1,0,0.0,
+CCCC(=O)c1ccc(N2CCOCC2)c(F)c1,0,0.0,
+CCCC(=O)c1cn(CC(=O)OC)c2ccccc12,0,0.0,
+CCCC(=O)n1nc(-c2ccc(Cl)cc2)nc1SC,0,0.0,
+CCCC(=O)n1nc(-c2ccc(OC)cc2)nc1N,0,0.0,
+CCCC(=O)n1nc(-c2ccco2)nc1SCc1ccccc1,0,0.0,
+CCCC(C(=O)N1CCOCC1)N1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+CCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C1CCCC1,0,0.0,
+CCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccccc1OC,0,0.0,
+CCCC(C(=O)NC1CCCC1)N(CC1CCCO1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CCCC(C(=O)NC1CCCC1)N(CCCN1CCOCC1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CCCC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CCCC(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1,0,0.0,
+CCCC(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1,0,0.0,
+CCCC(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1,0,0.0,
+CCCC(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1,0,0.0,
+CCCC(C(=O)NCc1ccc(OC)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1,0,0.0,
+CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1,0,0.0,
+CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1OC,0,0.0,
+CCCC(C(=O)c1ccccc1)n1cncn1,0,0.0,
+CCCC(C)(C)NC(=O)CCCCC(=O)NC(C)(C)CCC,0,0.0,
+CCCC(C)(COC(N)=O)COC(=O)NC(C)C,0,0.0,
+CCCC(C)C(=O)NC1CCSC1=O,0,0.0,
+CCCC(C)C(=O)NCc1ccccc1OC,0,0.0,
+CCCC(C)C(=O)Nc1ccc(C(N)=O)cc1,0,0.0,
+CCCC(C)C(=O)Nc1ccc(Cl)cn1,0,0.0,
+CCCC(C)C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CCCC(C)C(=O)Nc1cccc(NC(C)=O)c1,0,0.0,
+CCCC(C)C(=O)Nc1nnc(C)s1,0,0.0,
+CCCC(C)C1(CC)C(=O)NC(=Nc2ccc(F)cc2)NC1=O,0,0.0,
+CCCC(C)C1(CC)C(=O)NC(=Nc2ccccc2OC)NC1=O,0,0.0,
+CCCC(C)C1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21,0,0.0,
+CCCC(C)C1C(C#N)=C(N)Oc2cc(C)oc(=O)c21,0,0.0,
+CCCC(C)NC(=O)c1ccc(F)cc1,0,0.0,
+CCCC(C)NS(=O)(=O)c1ccccc1,0,0.0,
+CCCC(C)c1nnc(NC(=O)C2CCCO2)s1,1,100.0,1.0
+CCCC(C)n1[nH]c(=O)c2c(C)cc(C)nc21,0,0.0,
+CCCC(C)n1[nH]c(=O)c2c1NC(=O)CSC2c1ccc(OC)c(OC)c1,0,0.0,
+CCCC(C)n1[nH]c(=O)cc1N,0,0.0,
+CCCC(CCC(=O)NC1CCCCC1)C(=O)O,0,0.0,
+CCCC(CCC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)O,0,0.0,
+CCCC(CCC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)O,0,0.0,
+CCCC(CCC(=O)OC)(C(=O)OCC)c1csc(N)n1,0,0.0,
+CCCC(CCC)C(=O)NCCN1CCOCC1,0,0.0,
+CCCC(CCC)C(=O)Nc1ccncc1,0,0.0,
+CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C,1,100.0,1.0
+CCCC(CCC)n1[nH]c(=O)c2c(C)cc(C)nc21,0,0.0,
+CCCC(N)CCCCCC(=O)O,0,0.0,
+CCCC(NC(=O)CNC(=O)C(C)(C)C)C(=O)O,0,0.0,
+CCCC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C(=O)OC)o1,0,0.0,
+CCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)O,0,0.0,
+CCCC(O)(CCN(C)C)c1ccc(OC)cc1,0,0.0,
+CCCC(O)(CCN1CCOCC1)c1ccc(Br)cc1,1,100.0,1.0
+CCCC(OC(=O)CC1Sc2ccccc2NC1=O)C(=O)NCc1ccco1,0,0.0,
+CCCC(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1,0,0.0,
+CCCC(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+CCCC(c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O,0,0.0,
+CCCC(c1nnnn1C(C)(C)CC)N1CCN(C2CCCC2)CC1,0,0.0,
+CCCC(c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1,0,0.0,
+CCCC(c1nnnn1C1CCCCC1)N1CCN(C2CCCC2)CC1,0,0.0,
+CCCC(c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1,0,0.0,
+CCCC(c1nnnn1CC(=O)OCC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1,0,0.0,
+CCCC(c1nnnn1CC1CCCO1)N1CCN(c2cc(Cl)ccc2C)CC1,0,0.0,
+CCCC(c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1,0,0.0,
+CCCC(c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCCC(c1nnnn1CCOC)N1CCN(c2cccc(OC)c2)CC1,0,0.0,
+CCCC(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCCC(c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1,0,0.0,
+CCCC(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1,0,0.0,
+CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCC(C(N)=O)CC1,0,0.0,
+CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2OC)CC1,0,0.0,
+CCCC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1,0,0.0,
+CCCC(c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2OC)CC1,0,0.0,
+CCCC(c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1,0,0.0,
+CCCC(c1nnnn1Cc1ccco1)N1CCN(C(=O)c2ccco2)CC1,1,100.0,
+CCCC(c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1,0,0.0,
+CCCC(c1nnnn1Cc1ccco1)N1CCN(c2cc(Cl)ccc2C)CC1,0,0.0,
+CCCC(c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1,0,0.0,
+CCCC(c1nnnn1Cc1cccs1)N1CCN(c2ccc(OC)cc2)CC1,0,0.0,
+CCCC(c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+CCCC1(C(=O)O)NC(c2ccc(OC)cc2O)C2C(=O)N(c3ccc(OC)cc3)C(=O)C21,0,0.0,
+CCCC1(C(=O)O)NC(c2cccc(OC)c2O)C2C(=O)N(c3ccccc3)C(=O)C21,0,0.0,
+CCCC1(C(=O)O)NC(c2ccccc2O)C2C(=O)N(Cc3ccccc3)C(=O)C21,0,0.0,
+CCCC1(C(=O)O)NC(c2ccccc2O)C2C(=O)N(c3cccc(Cl)c3)C(=O)C21,0,0.0,
+CCCC1(C(=O)OC)NC(c2cc(OC)c(OC)c(OC)c2)C2C(=O)N(CC)C(=O)C21,0,0.0,
+CCCC1(C(=O)OC)NC(c2ccc(OC)c(OC)c2)C2C(=O)N(c3ccc4c(c3)OCO4)C(=O)C21,0,0.0,
+CCCC1(C(=O)OC)NC(c2cccc(F)c2)C2C(=O)N(CC)C(=O)C21,0,0.0,
+CCCC1(C(=O)OC)NC(c2ccco2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21,0,0.0,
+CCCC1(C(=O)OCC)NC(c2cc(OC)c(OC)c(OC)c2)C2C(=O)N(CC)C(=O)C21,0,0.0,
+CCCC1(C(=O)OCC)NC(c2ccc(N(C)C)cc2)C2C(=O)N(c3ccc(F)cc3)C(=O)C21,0,0.0,
+CCCC1(C(=O)OCC)NC(c2ccc(N(C)C)cc2)C2C(=O)N(c3ccc(OCC)cc3)C(=O)C21,0,0.0,
+CCCC1(C(=O)OCC)NC(c2ccc(N(C)C)cc2)C2C(=O)N(c3ccccc3)C(=O)C21,0,0.0,
+CCCC1(CCC)C(=O)NC(=NCc2ccccc2)NC1=O,0,0.0,
+CCCC1(CCC)NC(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O,0,0.0,
+CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O,0,0.0,
+CCCC1(CCC)NC(=O)NC1=O,1,100.0,0.0
+CCCC1(c2ccccc2)NC(=O)N(CC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)C1=O,0,0.0,
+CCCC12CN(C(=O)c3ccc(OC)cc3)CC(C)(CN(C(=O)c3ccc(OC)cc3)C1)C2=O,0,0.0,
+CCCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccc(C)cc31)C2=O,0,0.0,
+CCCC12CN3CC(C)(CN(C1)C31CCCCC1)C2=O,0,0.0,
+CCCC12CN3CC(C)(CN(C1)C3c1ccc(OC(C)C)cc1)C2=O,0,0.0,
+CCCC12CN3CC(C)(CN(C1)C3c1ccc(OC)cc1)C2=O,0,0.0,
+CCCC12CN3CC(C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O,0,0.0,
+CCCC12CN3CC(CCC)(CN(C1)C3C(O)C(O)C(O)CO)C2=O,0,0.0,
+CCCC12CN3CC(CCC)(CN(C1)C3c1ccccn1)C2=O,0,0.0,
+CCCC12CN3CN(C1)CC(CCC)(C3)C2O,0,0.0,
+CCCC1=C(C(=O)OCC)C(c2cc(Cl)cc(OC)c2OCC(=O)OCC)NC(=O)N1,0,0.0,
+CCCC1=C(C(=O)OCC)C(c2ccc(F)cc2)n2ncnc2N1,0,0.0,
+CCCC1=C(C(=O)OCC)C(c2ccc(N(C)C)cc2)n2ncnc2N1,0,0.0,
+CCCC1=C(C(=O)OCC)C(c2ccc(NC(C)=O)cc2)NC(=O)N1,0,0.0,
+CCCC1=C(C(=O)OCC)C(c2ccc(O)cc2)n2ncnc2N1,0,0.0,
+CCCC1=C(C(=O)OCC)C(c2ccccc2OC)NC(=O)N1,0,0.0,
+CCCC1=C(C(=O)OCC)C(c2ccccc2OCC)NC(=O)N1,0,0.0,
+CCCC1=C(C(=O)OCC)C(c2ccccc2OCC)NC(=O)N1C,0,0.0,
+CCCC1=C(C(=O)OCC)C2(C(=O)Nc3ccc(C)cc32)C(C#N)=C(N)O1,0,0.0,
+CCCC1=C(C(=O)OCC)C2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1,0,0.0,
+CCCC1=[N+](CC)CCn2c(C)ccc21,0,0.0,
+CCCC1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21,0,0.0,
+CCCC1C(C#N)=C(N)Oc2n[nH]c(C(C)(C)C)c21,0,0.0,
+CCCC1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC,0,0.0,
+CCCC1C(c2ccc(OC)cc2)C(C#N)(C#N)C2(C#N)CC1(N)NC2=O,0,0.0,
+CCCC1C(c2ccccc2)C(C#N)(C#N)C2(C#N)CC1(N)NC2=O,0,0.0,
+CCCC1C(c2ccco2)NC(c2ccco2)CC1(C)O,0,0.0,
+CCCC1C2C(=O)N(c3ccccc3OC)C(=O)C2ON1c1ccccc1,0,0.0,
+CCCC1C2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N,0,0.0,
+CCCC1C2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N,0,0.0,
+CCCC1CC(=O)OC1(C)C(=O)CSc1n[nH]c(-c2ccccc2)n1,0,0.0,
+CCCC1CC(C)(C(=O)Cn2[nH]c(=O)ccc2=O)OC1=O,0,0.0,
+CCCC1CC(c2csc(N)n2)CCO1,0,0.0,
+CCCC1CCC(C(=O)Nn2c(C)nc3ccccc3c2=O)CC1,0,0.0,
+CCCC1CCC(C(=O)Nn2cnc3ccccc3c2=O)CC1,0,0.0,
+CCCC1CCC(c2nc(-c3cccnc3)no2)CC1,0,0.0,
+CCCC1COC(Cn2cncn2)(c2ccc(C)cc2)O1,1,100.0,0.0
+CCCC1Cc2c(sc3nc(SC)nc(N)c23)CO1,0,0.0,
+CCCC1Cc2c(sc3ncnc(N)c23)CO1,0,0.0,
+CCCC1Cc2nc(N3CCCCC3)c(C#N)cc2CO1,0,0.0,
+CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,0,0.0,
+CCCC1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)cc1,0,0.0,
+CCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1Cl,0,0.0,
+CCCCC(=NCCO)C1=C(O)C(C(=O)OC)C(C)(C)CC1=O,1,100.0,0.0
+CCCCC(=O)C1C(=O)NC(=O)NC1=O,0,0.0,
+CCCCC(=O)C1CCN(Cc2ccccc2)CC1,0,0.0,
+CCCCC(=O)N(CCOC)c1nnc(-c2ccc(OC)cc2)s1,0,0.0,
+CCCCC(=O)N(c1ccc(C)c(C)c1)C1C=CS(=O)(=O)C1,0,0.0,
+CCCCC(=O)N(c1ccc(OC)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+CCCCC(=O)N(c1ccc(OCC)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+CCCCC(=O)N1CC2(C)CN(C(=O)CCCC)CC(C)(C1)C2=O,0,0.0,
+CCCCC(=O)N1CCCC(c2nc3c(nnn3Cc3cc(C)ccc3C)c(=O)[nH]2)C1,0,0.0,
+CCCCC(=O)N=c1sc2cc(S(C)(=O)=O)ccc2n1C,0,0.0,
+CCCCC(=O)NC(Nc1cc(C)ccn1)(C(=O)OCC)C(F)(F)F,0,0.0,
+CCCCC(=O)NC(Nc1ccc(C)cn1)(C(=O)OCC)C(F)(F)F,0,0.0,
+CCCCC(=O)NC(Nc1nc(C2CC2)cs1)(C(=O)OCC)C(F)(F)F,0,0.0,
+CCCCC(=O)NC1(C(F)(F)F)C(=O)N(Cc2ccco2)C(C)=C1C(=O)OC,0,0.0,
+CCCCC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1,1,100.0,0.0
+CCCCC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C,1,100.0,
+CCCCC(=O)NC1=NC(=O)C(C)(C)S1,0,0.0,
+CCCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1,0,0.0,
+CCCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1,0,0.0,
+CCCCC(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O,0,0.0,
+CCCCC(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O,0,0.0,
+CCCCC(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O,0,0.0,
+CCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CCCCC(=O)NCc1ccc2c(c1)cc(C)n2C,0,0.0,
+CCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,0,0.0,
+CCCCC(=O)Nc1cc(N(C)C)nc2ccccc12,0,0.0,
+CCCCC(=O)Nc1cc(NC(=O)CCCC)cc(C(=O)O)c1,0,0.0,
+CCCCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C,0,0.0,
+CCCCC(=O)Nc1ccc(Br)cc1C(=O)O,0,0.0,
+CCCCC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)OCC)C2)cc1,0,0.0,
+CCCCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1,0,0.0,
+CCCCC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1,1,100.0,
+CCCCC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1,0,0.0,
+CCCCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1,0,0.0,
+CCCCC(=O)Nc1ccc(C(=O)NCc2ccncc2)cc1,0,0.0,
+CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,0,0.0,
+CCCCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+CCCCC(=O)Nc1ccc(C(N)=O)cc1,0,0.0,
+CCCCC(=O)Nc1ccc(Cl)cn1,0,0.0,
+CCCCC(=O)Nc1ccc(F)c(Cl)c1,0,0.0,
+CCCCC(=O)Nc1ccc(N2CCN(C(=O)CC)CC2)cc1,0,0.0,
+CCCCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+CCCCC(=O)Nc1ccc(NC(=O)C(C)C)cn1,0,0.0,
+CCCCC(=O)Nc1ccc(NC(=O)C2CC2)cn1,0,0.0,
+CCCCC(=O)Nc1ccc(NC(=O)C2CC2)nc1,0,0.0,
+CCCCC(=O)Nc1ccc(NC(=O)CC)cc1OC,0,0.0,
+CCCCC(=O)Nc1ccc(NC(=O)CCCC)nc1,0,0.0,
+CCCCC(=O)Nc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,0,0.0,
+CCCCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1OC,0,0.0,
+CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2OC)cn1,0,0.0,
+CCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)cn1,0,0.0,
+CCCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O,0,0.0,
+CCCCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C,0,0.0,
+CCCCC(=O)Nc1ccc2c(c1)nc1n2CCOC1,0,0.0,
+CCCCC(=O)Nc1ccc2c(c1)nc1n2CCSC1,0,0.0,
+CCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1,0,0.0,
+CCCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,0,0.0,
+CCCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1,0,0.0,
+CCCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1,0,0.0,
+CCCCC(=O)Nc1cccc(-c2nn3c(C)nnc3s2)c1,0,0.0,
+CCCCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1,0,0.0,
+CCCCC(=O)Nc1cccc(NC(=O)CC)c1,0,0.0,
+CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)o2)c1,0,0.0,
+CCCCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1,0,0.0,
+CCCCC(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O,0,0.0,
+CCCCC(=O)Nc1ccccc1C#N,0,0.0,
+CCCCC(=O)Nc1nc(C)c(C(C)=O)s1,0,0.0,
+CCCCC(=O)Nc1nc2c(OC)ccc(OC)c2s1,0,0.0,
+CCCCC(=O)Nc1nc2ccc3nc(C)sc3c2s1,0,0.0,
+CCCCC(=O)Nc1ncc(Br)s1,0,0.0,
+CCCCC(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O,0,0.0,
+CCCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12,0,0.0,
+CCCCC(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12,0,0.0,
+CCCCC(=O)Nc1nn(CCC)c2nc3ccccc3cc12,0,0.0,
+CCCCC(=O)Nc1nnc(C)s1,0,0.0,
+CCCCC(=O)Nc1nnc(SCC(=O)N2CCN(c3ccccc3OC)CC2)s1,0,0.0,
+CCCCC(=O)Nc1nnn(CCC)n1,0,0.0,
+CCCCC(=O)Nc1sc2c(c1C(N)=O)CCC2,0,0.0,
+CCCCC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1,0,0.0,
+CCCCC(=O)OCCNC(=O)c1cc2ccccc2oc1=O,0,0.0,
+CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,0,0.0,
+CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,0,0.0,
+CCCCC(=O)c1c(C)cc(C)[nH]c1=O,0,0.0,
+CCCCC(=O)c1c(O)c2ccccc2oc1=O,0,0.0,
+CCCCC(C(=O)NCCC(C)C)N(CCCN1CCOCC1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CCCCC(C(=O)O)C(C)CC(=O)Nc1cccc(C(=O)O)c1,0,0.0,
+CCCCC(C(=O)O)C(C)CC(=O)Nc1ccn(-c2ccccc2)n1,0,0.0,
+CCCCC(CC)C(=O)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+CCCCC(CC)C(=O)NCCCN1CCN(CCCNC(=O)C(CC)CCCC)CC1,0,0.0,
+CCCCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CCCCC(CC)C(=O)NCc1ccccc1OC,0,0.0,
+CCCCC(CC)C(=O)Nc1ccc(Cl)cn1,0,0.0,
+CCCCC(CC)C(=O)Nc1ccccc1C#N,0,0.0,
+CCCCC(CC)C(=O)Nc1ccccc1C(=O)NC(C)C,0,0.0,
+CCCCC(CC)CNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+CCCCC(CC)CNC(=O)CCS(=O)(=O)c1cccc2nonc12,0,0.0,
+CCCCC(CC)CNC(=O)CCS(=O)(=O)c1cccc2nsnc12,0,0.0,
+CCCCC(CC)CNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CCCCC(CC)CNC(=O)c1[nH]c(C)c(C(C)=O)c1C,0,0.0,
+CCCCC(CC)CNC(=O)c1ccc2c(c1)OCO2,0,0.0,
+CCCCC(CC)CNC(=O)c1cccs1,0,0.0,
+CCCCC(CC)CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O,0,0.0,
+CCCCC(CC)Cn1c(N)c(C#N)c2nc3ccccc3nc21,0,0.0,
+CCCCC(CC)Cn1c2nc3ccccc3nc2c2c(=N)oc(C)nc21,0,0.0,
+CCCCC(CCC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)O,0,0.0,
+CCCCC(CCC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)O,0,0.0,
+CCCCC(CCC(=O)Nc1ccccc1C(=O)OCC)C(=O)O,1,100.0,0.0
+CCCCC(CCC(=O)Nc1nncs1)(C(=O)OCC)C(=O)OCC,0,0.0,
+CCCCC(CCC(=O)O)(C(=O)OCC)c1csc(N)n1,0,0.0,
+CCCCC(NC(=O)c1ccc(Cl)cc1)C(=O)O,0,0.0,
+CCCCC(NC(C)=O)c1nc2ccccc2[nH]1,0,0.0,
+CCCCC(NC(C)=O)c1nc2ccccc2n1CCC,0,0.0,
+CCCCC(NC(C)=O)c1nc2ccccc2n1CCCC,0,0.0,
+CCCCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)O,0,0.0,
+CCCCC(O)(C(NC=O)C(=O)OC)C(F)(F)F,0,0.0,
+CCCCC(OC(=O)c1cc2occc2n1C)C(=O)NCC1CCCO1,0,0.0,
+CCCCC(SCC(=O)Nc1ccccc1)C(=O)O,0,0.0,
+CCCCC(c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCCCC(c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1,0,0.0,
+CCCCC(c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1,0,0.0,
+CCCCC(c1nnnn1CC1CCCO1)N1CCN(c2cc(Cl)ccc2C)CC1,0,0.0,
+CCCCC(c1nnnn1CC1CCCO1)N1CCN(c2cccc(C)c2C)CC1,0,0.0,
+CCCCC(c1nnnn1CC1CCCO1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+CCCCC(c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCCCC(c1nnnn1CCOC)N1CCN(c2cccc(OC)c2)CC1,0,0.0,
+CCCCC(c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+CCCCC(c1nnnn1Cc1ccco1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCCCC(c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1,1,100.0,0.0
+CCCCC1(C(=O)OCC)CC(CN2CCOCC2)OC1=O,0,0.0,
+CCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O,0,0.0,
+CCCCC1(CC)C(=O)NC(=O)NC1=Nc1ccc(OC)cc1,0,0.0,
+CCCCC1(CN2CCCC2=O)C(=O)NC(=O)NC1=O,0,0.0,
+CCCCC12CN3CC(C)(CN(C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O,0,0.0,
+CCCCC12CNCC(C)(CNC1)C2=O,0,0.0,
+CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,0,0.0,
+CCCCC1CC(CSc2ncn[nH]2)OC1=O,0,0.0,
+CCCCC1CC1C(=O)Nc1ccc(OC)c(OC)c1,0,0.0,
+CCCCC1CC1C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O,0,0.0,
+CCCCC1CCC(/C(N)=N/O)CC1,0,0.0,
+CCCCC1CCC(C(=O)NC2CCS(=O)(=O)C2)CC1,0,0.0,
+CCCCC1CCC(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1,0,0.0,
+CCCCC1CCC(c2nc(-c3ccccn3)no2)CC1,0,0.0,
+CCCCC1CCC(c2nc(-c3cccnc3)no2)CC1,0,0.0,
+CCCCCC#CCC#CCC#CCC#CCCCC(=O)O,0,0.0,
+CCCCCC(=O)N(CN1C(=O)CCC1=O)c1ccccc1,0,0.0,
+CCCCCC(=O)N(O)C1CC(=O)N(c2ccccc2)C1=O,0,0.0,
+CCCCCC(=O)N1CC2(C)CN(C(=O)CCCCC)CC(C)(C1)C2=O,0,0.0,
+CCCCCC(=O)N1CC2(CC)CN(C(=O)CCCCC)CC(CC)(C1)C2=O,0,0.0,
+CCCCCC(=O)N1CCN(CCN=CC2=C(O)CC(c3ccc(OC)c(OC)c3)CC2=O)CC1,0,0.0,
+CCCCCC(=O)N1CCN(CCN=CC2=C(O)CC(c3ccc(OC)cc3)CC2=O)CC1,0,0.0,
+CCCCCC(=O)N1CCN(CCN=CC2=C(O)CC(c3ccco3)CC2=O)CC1,0,0.0,
+CCCCCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1,0,0.0,
+CCCCCC(=O)Nc1cc(N(C)C)nc2ccccc12,0,0.0,
+CCCCCC(=O)Nc1ccc(Cl)cn1,0,0.0,
+CCCCCC(=O)Nc1ccc(N2CCN(C(=O)CCC)CC2)cc1,0,0.0,
+CCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,0,0.0,
+CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1,1,100.0,1.0
+CCCCCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+CCCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1,0,0.0,
+CCCCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,0,0.0,
+CCCCCC(=O)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1,0,0.0,
+CCCCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1,0,0.0,
+CCCCCC(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1,0,0.0,
+CCCCCC(=O)OC(CN1CCCCC1)CN1CCCC1=O,0,0.0,
+CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,0,0.0,
+CCCCCC(C(=O)O)C(C)CC(=O)NC1CCCCC1,0,0.0,
+CCCCCC(C)n1[nH]c(=O)c2c(C)cc(C)nc21,0,0.0,
+CCCCCC/C(=N/O)c1ccccn1,0,0.0,
+CCCCCC1CC(=O)N(Cc2ccc(Cl)cc2)C(=O)N1,0,0.0,
+CCCCCC1CC(=O)N(Cc2ccccc2)C(=O)N1,0,0.0,
+CCCCCC1CC(CC#CCN2CCOCC2)C(=O)O1,0,0.0,
+CCCCCC1CC(CC(=O)O)C(=O)O1,0,0.0,
+CCCCCC1CC(CC(C)C(=O)Nc2nncs2)C(=O)O1,0,0.0,
+CCCCCC1CCC(C(=O)O)CC1,0,0.0,
+CCCCCC1NC(=O)NC1CCCCCC(=O)O,0,0.0,
+CCCCCCC(=O)N(O)C1CC(=O)N(Cc2ccccc2)C1=O,0,0.0,
+CCCCCCC(=O)N(O)C1CC(=O)N(c2ccc(Br)cc2)C1=O,0,0.0,
+CCCCCCC(=O)N(O)C1CC(=O)N(c2ccccc2)C1=O,0,0.0,
+CCCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)CC1,0,0.0,
+CCCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1,0,0.0,
+CCCCCCC(=O)NCC(=O)OCC(=O)c1ccccc1,0,0.0,
+CCCCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCCCCCC(=O)Nc1ccc(Cl)cn1,0,0.0,
+CCCCCCC(=O)c1c(C)[nH]c(C(=O)OCC)c1C,0,0.0,
+CCCCCCC(C)n1[nH]c(=O)c2c(C)cc(=O)[nH]c21,0,0.0,
+CCCCCCC(N)CC(=O)O,0,0.0,
+CCCCCCC(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+CCCCCCC1/C(=N/O)CCC1C(=O)OC,0,0.0,
+CCCCCCC1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,0,0.0,
+CCCCCCC1C(C#N)=C(N)OC2=C1C(=O)CCC2,1,100.0,1.0
+CCCCCCC1CC(CSc2ncn[nH]2)OC1=O,0,0.0,
+CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,0,0.0,
+CCCCCCCCCCCCCCCC(O)C(N)CO,0,0.0,
+CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,0,0.0,
+CCCCCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+CCCCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(Cl)cc1,0,0.0,
+CCCCCCN1CC(O)=C(c2nc3ccccc3[nH]2)C1=N,0,0.0,
+CCCCCCN1Cc2ccccc2C1,0,0.0,
+CCCCCCN=C(C)C1=C(O)C(C(=O)OC)C(C)(C)CC1=O,0,0.0,
+CCCCCCN=C(C)c1c(O)n(CCCC)c(=O)[nH]c1=O,0,0.0,
+CCCCCCN=C(CC)c1c(O)n(CCCC)c(=O)[nH]c1=O,0,0.0,
+CCCCCCN=CC1=C(O)C(C(=O)OC)C(C)(C)CC1=O,0,0.0,
+CCCCCCN=CC1=C(O)CC(C)(C)CC1=O,0,0.0,
+CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,1,100.0,
+CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1,0,0.0,
+CCCCCCNC(=O)C(C(=O)OCC)C1CCCCC1,0,0.0,
+CCCCCCNC(=O)CC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(C)C,0,0.0,
+CCCCCCNC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCCCCCNC(=O)Cc1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCCCCCNC(=O)Cc1nc2nc(C)cc(C)n2n1,0,0.0,
+CCCCCCNC(=O)Nc1ccccc1,0,0.0,
+CCCCCCNC(=O)c1c(N)n(/N=C/c2ccco2)c2nc3ccccc3nc12,0,0.0,
+CCCCCCNC(=O)c1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCCCCCNS(=O)(=O)c1ccc(Cl)s1,0,0.0,
+CCCCCCNS(=O)(=O)c1ccc(OC)c(OC)c1,0,0.0,
+CCCCCCNS(=O)(=O)c1nc2nc(C)cc(C)n2n1,0,0.0,
+CCCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12,0,0.0,
+CCCCCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2,0,0.0,
+CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1,0,0.0,
+CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(C)CC1,1,100.0,
+CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1,0,0.0,
+CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1,0,0.0,
+CCCCCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(O)cc1,0,0.0,
+CCCCCCOC(=O)CCn1[nH]c(=O)c2ccccc2c1=O,0,0.0,
+CCCCCCOC(=O)NCC(O)c1ccccc1,0,0.0,
+CCCCCCOC(=O)c1ccccc1N,0,0.0,
+CCCCCCOc1ccc(/C(N)=N/O)cc1,0,0.0,
+CCCCCCOc1ccc(C(=O)n2cnc(N)n2)cc1,0,0.0,
+CCCCCCOc1ccc(C(CC(=O)O)C(N)=O)cc1,0,0.0,
+CCCCCCOc1ccc(CN2CCN(C)CC2)cc1,1,100.0,1.0
+CCCCCCOc1ccc(CN2CCN(CCO)CC2)cc1,1,100.0,1.0
+CCCCCCOc1ccc(N2C(=O)CC(N3CCC(C(=O)OCC)CC3)C2=O)cc1,0,0.0,
+CCCCCCOc1ccc(N2C(=O)CC(N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1,0,0.0,
+CCCCCCOc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1,0,0.0,
+CCCCCCOc1cccc(N)c1,0,0.0,
+CCCCCCP(=O)(O)c1ccccc1,0,0.0,
+CCCCCC[S+]([O-])Cc1ccccc1,0,0.0,
+CCCCCC[S+]([O-])[C@H]1CS(=O)(=O)C[C@@H]1[S+]([O-])CCCCCC,0,0.0,
+CCCCCCSC1=C(C#N)C(c2ccc(C)o2)CC(=O)N1,0,0.0,
+CCCCCCSC1=C(C#N)C(c2ccc(O)cc2)CC(=O)N1,0,0.0,
+CCCCCCSC1=C(C#N)C(c2ccccc2)CC(=O)N1,0,0.0,
+CCCCCCSc1cc(C)nc2ncnn12,0,0.0,
+CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C,0,0.0,
+CCCCCCSc1ncc(C#N)c(N)n1,0,0.0,
+CCCCCCSc1nsc(NC(C)=O)n1,0,0.0,
+CCCCCCc1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCCCCCc1c(O)nc(SCC(=O)O)[nH]c1=O,0,0.0,
+CCCCCCc1cc2cc(-c3nnc(-c4ccccc4O)o3)c(=O)oc2cc1O,1,100.0,
+CCCCCCc1cc2cc(C(=O)NC)c(=N)oc2cc1O,1,100.0,
+CCCCCCc1ccc(-c2ncc(N)cn2)cc1,0,0.0,
+CCCCCCc1ccc(OCC(=O)O)cc1OCC(=O)O,0,0.0,
+CCCCCCc1nc2c(=O)[nH]c3ccccc3c2o1,0,0.0,
+CCCCCCc1nc2ccccc2c(=O)n1N,0,0.0,
+CCCCCCc1nnc(NC(=O)OCC)s1,0,0.0,
+CCCCCCn1c(-c2ccco2)nc2oc3cc(OC)ccc3c(=O)c2c1=O,0,0.0,
+CCCCCCn1c(=O)c(-c2nc3ccccc3c(=O)[nH]2)c(O)c2ccccc21,0,0.0,
+CCCCCCn1c(=O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c2ccccc21,1,100.0,1.0
+CCCCCCn1c(=O)c(C(=O)Nc2ccncc2)c(O)c2ccccc21,0,0.0,
+CCCCCCn1c(C(C)NC(=O)c2ccco2)nc2ccccc21,0,0.0,
+CCCCCCn1c(C(C)O)nc2ccccc21,0,0.0,
+CCCCCCn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(CN2CCCC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(CN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(CN2CCCCC2CC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(CN2CCN(CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(N(CC)CC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCCn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21,0,0.0,
+CCCCCCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCCn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCCn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCCn1c(NCC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCCn1c(O)c(C(C)=NC)c(=O)[nH]c1=O,0,0.0,
+CCCCCCn1c(O)c(C=NC2CCCCC2N)c(=O)[nH]c1=O,0,0.0,
+CCCCCCn1c(O)c(C=NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]c1=O,0,0.0,
+CCCCCCn1c(O)c(C=NCCCn2ccnc2)c(=O)[nH]c1=O,0,0.0,
+CCCCCCn1c(O)c(C=NCCN2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCCCCCn1c(O)c(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)[nH]c1=O,0,0.0,
+CCCCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O,0,0.0,
+CCCCCCn1c(SCC(=O)OC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCCn1c(SCCC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCCn1c(SCCOC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCCn1c2c(c(=N)c3c1CCC3)CCC2,0,0.0,
+CCCCCCn1cc(C(=O)O)c(=O)c2ccccc21,0,0.0,
+CCCCCCn1ccc(=N)cc1,0,0.0,
+CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccco1,0,0.0,
+CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1cccs1,0,0.0,
+CCCCCN(C(=O)NC(=O)NC(C)CC)S(C)(=O)=O,0,0.0,
+CCCCCN(C(=O)NC(=O)NC1C2CC3CC(C2)CC1C3)S(C)(=O)=O,0,0.0,
+CCCCCN(C(=O)NC(=O)NCCCC)S(C)(=O)=O,0,0.0,
+CCCCCN(C(=O)NC(=O)Nc1ccccc1C)S(C)(=O)=O,0,0.0,
+CCCCCN(C(=O)NC(=O)Nc1ccccc1OC)S(C)(=O)=O,0,0.0,
+CCCCCN(C(=O)NC(=O)Nc1nncs1)S(C)(=O)=O,0,0.0,
+CCCCCN(C(=O)NC(=O)Nn1cnnc1)S(C)(=O)=O,0,0.0,
+CCCCCN(C(=O)NC(=O)OCC1COc2ccccc2O1)S(C)(=O)=O,0,0.0,
+CCCCCN=C(C)c1c(O)c2ccccc2oc1=O,0,0.0,
+CCCCCN=Cc1c(C)[nH]n(-c2nc3ccccc3s2)c1=O,0,0.0,
+CCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CC(C)OC(C)C1,0,0.0,
+CCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,1,100.0,
+CCCCCNC(=O)C(C)NS(=O)(=O)c1ccc(OC)cc1,0,0.0,
+CCCCCNC(=O)CCCCn1c(=O)[nH]c2cc(OCC)c(OCC)cc2c1=O,0,0.0,
+CCCCCNC(=O)CCn1c(=O)oc2ccccc21,0,0.0,
+CCCCCNC(=O)Cc1ccc(OC)cc1,0,0.0,
+CCCCCNC(=O)c1c(N)n(/N=C/c2ccco2)c2nc3ccccc3nc12,0,0.0,
+CCCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F,0,0.0,
+CCCCCNC(=O)c1ccc2c(=O)[nH]c3c(C(=O)NCC4CCCO4)sc(=S)n3c2c1,0,0.0,
+CCCCCNC(=O)c1ccc2c(=O)n(CC3CCCO3)c(=O)[nH]c2c1,0,0.0,
+CCCCCNC(CC(=O)Nc1ccc(OC)cc1)C(=O)O,0,0.0,
+CCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12,0,0.0,
+CCCCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2,0,0.0,
+CCCCCOC(=O)C(C)c1c(C)[nH]c(=S)[nH]c1=O,0,0.0,
+CCCCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Br)c(O)c(OC)c1,0,0.0,
+CCCCCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1OCC,0,0.0,
+CCCCCOC(=O)C1=C(C)Nc2nnnn2C1c1ccc(OC)c(OC)c1OC,0,0.0,
+CCCCCOC(=O)C1C2C=CC3(CN(c4ccccc4C)C(=O)C13)O2,0,0.0,
+CCCCCOC(=O)C1[C@H]2C(=O)N(CCCOC)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCCCOC(=O)C1[C@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCCCOC(=O)C1[C@H]2C(=O)N(c3ccccc3CC)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1,0,0.0,
+CCCCCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1,0,0.0,
+CCCCCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O,0,0.0,
+CCCCCOC(=O)Cc1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCCCCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O,0,0.0,
+CCCCCOC(=O)Cn1c(=O)oc2ccccc21,0,0.0,
+CCCCCOC(=O)Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCOC(=O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCOC(=O)Cn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCOC(=O)NCC(O)c1ccccc1,0,0.0,
+CCCCCOC(=O)NCCOC(=O)Nc1ccc(C(=O)OCC)cc1,1,100.0,0.0
+CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1,0,0.0,
+CCCCCOC(=O)Nc1nnc(CCC)s1,0,0.0,
+CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C(C(=O)OC)C(C)C2,0,0.0,
+CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,0,0.0,
+CCCCCOC(=O)c1cc(=O)[nH]c2ccccc12,0,0.0,
+CCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+CCCCCOC(=O)c1ccccc1C(=O)O,0,0.0,
+CCCCCOc1ccc(/C=c2\sc3ncnn3c2=O)cc1,0,0.0,
+CCCCCOc1ccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CCCCCOc1ccc(C(=O)NC(C(=O)O)C(C)C)cc1,0,0.0,
+CCCCCOc1ccc(C(=O)NC(CCC)C(=O)O)cc1,0,0.0,
+CCCCCOc1ccc(C(=O)NCC(=O)NCC(=O)OCC)cc1,0,0.0,
+CCCCCOc1ccc(C2C(C(C)=O)=C(C)Nc3ncnn32)cc1OC,0,0.0,
+CCCCCOc1ccc(C2NC(=O)NC2=O)cc1,0,0.0,
+CCCCCOc1ccc(CN2CCOCC2)cc1Cl,0,0.0,
+CCCCCOc1ccc(Cl)cc1CN1CCOCC1,0,0.0,
+CCCCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1,0,0.0,
+CCCCCOc1ccc(NC(=O)CCCC(=O)O)cc1,0,0.0,
+CCCCCOc1ccc(NS(C)(=O)=O)cc1,0,0.0,
+CCCCCOc1ccc(OC(=O)c2ccncc2)cc1,0,0.0,
+CCCCCOc1ccccc1C(=O)NCC(=O)O,0,0.0,
+CCCCCOc1ccccc1C(=O)NCCCC(=O)O,0,0.0,
+CCCCCP(=O)(O)c1ccccc1,0,0.0,
+CCCCCSc1nc(C)c(CC(=O)O)c(=O)[nH]1,0,0.0,
+CCCCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2,0,0.0,
+CCCCCSc1nc(O)cc(=O)[nH]1,0,0.0,
+CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C,0,0.0,
+CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C,0,0.0,
+CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC,0,0.0,
+CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CCCCCSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1,0,0.0,
+CCCCCSc1nnc(-c2cc(Br)ccc2N)c(=O)[nH]1,0,0.0,
+CCCCCSc1nnc2c(n1)OC(C)N(C(C)=O)c1ccccc1-2,0,0.0,
+CCCCCSc1nnc2c(n1)OC(c1cccn1C)N(C(C)=O)c1ccccc1-2,0,0.0,
+CCCCC[C@H](O)/C=C/C1=C(CCCCCCC(=O)O)C(=O)CC1,0,0.0,
+CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O,0,0.0,
+CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O,0,0.0,
+CCCCCc1c(C)nc(N2CCOCC2)[nH]c1=O,0,0.0,
+CCCCCc1c(C)nc(N2CCc3ccccc32)[nH]c1=O,1,100.0,
+CCCCCc1c(C)nc(N2CCc3ccccc3C2)[nH]c1=O,0,0.0,
+CCCCCc1c(C)nc(NCc2ccccc2)[nH]c1=O,0,0.0,
+CCCCCc1c(C)nc(Nc2ccc(F)cc2)[nH]c1=O,0,0.0,
+CCCCCc1c(C)nc(Nc2ccccc2)[nH]c1=O,0,0.0,
+CCCCCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O,0,0.0,
+CCCCCc1c(C)nc(SCC(=O)O)[nH]c1=O,0,0.0,
+CCCCCc1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCCCCc1c(O)nc(SCC(=O)NCC2CCCO2)[nH]c1=O,0,0.0,
+CCCCCc1cc(O)c2c(C)cc(=O)oc2c1,0,0.0,
+CCCCCc1ccc(-c2ccc(=O)[nH]n2)cc1,0,0.0,
+CCCCCc1ccc(CC(=O)O)cc1,0,0.0,
+CCCCCc1nc2c(=O)[nH]c3ccccc3c2o1,0,0.0,
+CCCCCc1nc2c(=O)n(C)c3ccccc3c2o1,0,0.0,
+CCCCCc1nc2ccccc2c(=O)n1N,0,0.0,
+CCCCCc1nc2sc3c(c2c(=O)n1N)CCC3,0,0.0,
+CCCCCc1nnc(NC(=O)C2CCCO2)s1,0,0.0,
+CCCCCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1,0,0.0,
+CCCCCc1nnc(NC(=O)Cc2cccs2)s1,0,0.0,
+CCCCCc1nnc(NC(=O)OCCC)s1,0,0.0,
+CCCCCn1c(-c2ccco2)nc2nc3ccccc3nc21,0,0.0,
+CCCCCn1c(=N)n(CC(O)COc2ccccc2OC)c2ccccc21,0,0.0,
+CCCCCn1c(=NC(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,0,0.0,
+CCCCCn1c(=NC(C)=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCCCCn1c(=NC(C)=O)c(C#N)cc2c(=O)n3ccccc3nc21,0,0.0,
+CCCCCn1c(=O)[nH]c2c(c1=O)CCC2,0,0.0,
+CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCC(C)CC3)ccc2c1=O,0,0.0,
+CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCCCC3)ccc2c1=O,0,0.0,
+CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN(CC)CC)ccc2c1=O,0,0.0,
+CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCOCC3)ccc2c1=O,0,0.0,
+CCCCCn1c(=O)[nH]c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c1=O,0,0.0,
+CCCCCn1c(=O)[nH]c2cc(C(=O)O)ccc2c1=O,0,0.0,
+CCCCCn1c(=O)c(-c2nc3ccccc3c(=O)[nH]2)c(O)c2ccccc21,0,0.0,
+CCCCCn1c(=O)c(C(=O)NCc2ccccn2)c(O)c2ccccc21,0,0.0,
+CCCCCn1c(=O)c(C(=O)NCc2ccncc2)c(O)c2ccccc21,0,0.0,
+CCCCCn1c(=O)c(C(=O)Nc2ccncc2)c(O)c2ccccc21,0,0.0,
+CCCCCn1c(=O)c(C(=O)OCC)c(O)c2ccccc21,0,0.0,
+CCCCCn1c(=S)[nH]c2ncccc2c1=O,0,0.0,
+CCCCCn1c(Br)nc2c1c(=O)n(CC(N)=O)c(=O)n2C,0,0.0,
+CCCCCn1c(C(C)NC(=O)CCC)nc2ccccc21,0,0.0,
+CCCCCn1c(CCCNC(=O)CC)nc2ccccc21,0,0.0,
+CCCCCn1c(CCNC(=O)CCC)nc2ccccc21,0,0.0,
+CCCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21,0,0.0,
+CCCCCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CC(C)OC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CCCCC2CC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CCN(CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CCN(c3cc(Cl)ccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCCn1c(CNC(=O)CC)nc2ccccc21,0,0.0,
+CCCCCn1c(CNC(=O)CCC)nc2ccccc21,0,0.0,
+CCCCCn1c(CNC(=O)COC)nc2ccccc21,0,0.0,
+CCCCCn1c(CNC(=O)c2cccs2)nc2ccccc21,0,0.0,
+CCCCCn1c(CNC(C)=O)nc2ccccc21,0,0.0,
+CCCCCn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(N)c(C#N)c2nc3ccccc3nc21,0,0.0,
+CCCCCn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21,0,0.0,
+CCCCCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(N2CCOCC2)nc2c1c(=O)n(CC(N)=O)c(=O)n2C,0,0.0,
+CCCCCn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(NCc2ccco2)nc2ccccc21,0,0.0,
+CCCCCn1c(S(=O)(=O)O)nc2ccccc21,0,0.0,
+CCCCCn1c(SC(C)C(C)=O)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(SCC#N)nc2cc(C(=O)NC3CCCCC3)ccc2c1=O,0,0.0,
+CCCCCn1c(SCC#N)nc2cc(C(=O)NCC3CCCO3)ccc2c1=O,0,0.0,
+CCCCCn1c(SCC(=O)OC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(SCC(=O)OCC)nc2cc(C(=O)NCc3ccco3)ccc2c1=O,0,0.0,
+CCCCCn1c(SCC2CCCO2)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O,0,0.0,
+CCCCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(SCCOCC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(SCc2ccncc2)nc2cc(C(=O)NCc3ccco3)ccc2c1=O,0,0.0,
+CCCCCn1c(Sc2nc3ccccc3s2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c(Sc2ncccn2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21,0,0.0,
+CCCCCn1c2nc3ccccc3nc2c2c(=O)n(CC3CCCO3)c(C)nc21,0,0.0,
+CCCCCn1ccc(=N)cc1,0,0.0,
+CCCCN(C(=O)CCC(=O)O)C1CC(=O)N(c2ccc(OCCC)cc2)C1=O,0,0.0,
+CCCCN(C(=O)CN1C(=O)C2CC=CCC2C1=O)c1c(N)n(CCC)c(=O)[nH]c1=O,0,0.0,
+CCCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1OC,0,0.0,
+CCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccc(OC)cc1,0,0.0,
+CCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccc(OC)cc1OC,0,0.0,
+CCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccncc1,0,0.0,
+CCCCN(C(=O)NC(=O)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)S(C)(=O)=O,0,0.0,
+CCCCN(C(=O)NC(=O)NC1C2CC3CC(C2)CC1C3)S(C)(=O)=O,0,0.0,
+CCCCN(C(=O)NC(=O)Nc1c(C)cc(C)cc1C)S(C)(=O)=O,0,0.0,
+CCCCN(C(=O)NC(=O)Nc1cc(C)ccc1C)S(C)(=O)=O,0,0.0,
+CCCCN(C(=O)NC(=O)Nc1cccc(C)c1C)S(C)(=O)=O,0,0.0,
+CCCCN(C(=O)NC(=O)Nc1ccccc1C)S(C)(=O)=O,0,0.0,
+CCCCN(C(=O)NC(=O)Nc1ccccc1OC)S(C)(=O)=O,0,0.0,
+CCCCN(C(=O)NC(=O)Nc1ccccc1OCC)S(C)(=O)=O,0,0.0,
+CCCCN(C(=O)NC(=O)Nc1nc2ccc(OC)cc2s1)S(C)(=O)=O,0,0.0,
+CCCCN(C(=O)NC(=O)OCC1COc2ccccc2O1)S(C)(=O)=O,0,0.0,
+CCCCN(C(=O)c1c(C)[nH]c(C(=O)OCC)c1C)c1ccccc1,0,0.0,
+CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)C1=CC2CCC(C1)N2C,0,0.0,
+CCCCN(C(=O)c1ccc(Cl)cc1)C1CC2CCC(C1)N2C,1,100.0,1.0
+CCCCN(C(=O)c1ccco1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1,0,0.0,
+CCCCN(C)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,0,0.0,
+CCCCN(C)C(=O)C1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1,0,0.0,
+CCCCN(C)C(=O)C1CCN(C/C(C)=C/c2ccccc2)CC1,1,100.0,1.0
+CCCCN(C)C(=O)C1CCN(CCCc2ccccc2)CC1,0,0.0,
+CCCCN(C)C(=O)C1CCN(Cc2ccccn2)CC1,0,0.0,
+CCCCN(C)C(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1,0,0.0,
+CCCCN(C)C(=O)CCCCn1c(=O)[nH]c2cc(OCC)c(OCC)cc2c1=O,0,0.0,
+CCCCN(C)C(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C,0,0.0,
+CCCCN(C)C(=O)Cn1cnc2sc(C)cc2c1=O,0,0.0,
+CCCCN(C)C(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0.0,
+CCCCN(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1,0,0.0,
+CCCCN(C)C(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2(=O)=O,1,100.0,1.0
+CCCCN(C)C(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O,0,0.0,
+CCCCN(C)C(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O,0,0.0,
+CCCCN(C)C(=O)c1coc(=O)c2ccccc12,0,0.0,
+CCCCN(C)C(=O)c1oc2ccc(S(=O)(=O)N3CCCCCC3)cc2c1C,0,0.0,
+CCCCN(C)C(=O)c1sc2ncn(CC)c(=O)c2c1C,0,0.0,
+CCCCN(C)CCCNC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)C1,0,0.0,
+CCCCN(C)CCCNC(=O)CC1Oc2ccccc2NC1=O,0,0.0,
+CCCCN(C)CCCNC(=O)CCn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CCCCN(C)CCCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(OC)c(OC)c2)oc1C,0,0.0,
+CCCCN(C)CCCNC(=O)Cn1c(=O)sc2ccccc21,0,0.0,
+CCCCN(C)CCCNC(=O)c1ccc(N2CCCC2=O)cc1,0,0.0,
+CCCCN(C)CCCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2,0,0.0,
+CCCCN(C)CCCNC(=O)c1cccc(N2CCCC2=O)c1,0,0.0,
+CCCCN(C)CCNC(=O)Cn1c(=O)sc2ccccc21,0,0.0,
+CCCCN(C)CCNC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21,0,0.0,
+CCCCN(C)CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O,0,0.0,
+CCCCN(C)CCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2,0,0.0,
+CCCCN(C)CCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O,0,0.0,
+CCCCN(C)Cc1c(C)[nH]c2c(Cl)cccc2c1=O,0,0.0,
+CCCCN(C)Cc1c(C)[nH]c2ccc(Cl)cc2c1=O,0,0.0,
+CCCCN(C)Cc1c(C)[nH]c2ccc(OCC)cc2c1=O,0,0.0,
+CCCCN(C)Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12,1,100.0,
+CCCCN(C)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2,0,0.0,
+CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,0,0.0,
+CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1,0,0.0,
+CCCCN(C)c1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2,0,0.0,
+CCCCN(C)c1ncc(Cl)c(C(=O)O)n1,0,0.0,
+CCCCN(CC)C(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)c(OC)c1,0,0.0,
+CCCCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CCCCN(CC)C(=O)CSc1cc(=O)n(C)c2ccccc12,0,0.0,
+CCCCN(CC)C(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12,0,0.0,
+CCCCN(CC)C(=O)c1ccc(Cl)c(Cl)c1,0,0.0,
+CCCCN(CC)C(=O)c1cccc(Cl)c1,0,0.0,
+CCCCN(CC)CCCNC(=O)CC1Nc2ccccc2NC1=O,0,0.0,
+CCCCN(CC)CCCNC(=O)CC1Oc2ccccc2NC1=O,0,0.0,
+CCCCN(CC)CCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C,0,0.0,
+CCCCN(CC)CCCNC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O,0,0.0,
+CCCCN(CC)CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,0,0.0,
+CCCCN(CC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1,1,100.0,0.0
+CCCCN(CC)CCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3C12,0,0.0,
+CCCCN(CC)CCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCN(CC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O,0,0.0,
+CCCCN(CC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,1,100.0,1.0
+CCCCN(CC)CCNC(=O)c1cc2c(C)nc3ccccc3c2o1,0,0.0,
+CCCCN(CC)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+CCCCN(CC)CCNc1c(N2CCN(C(=O)OCC)CC2)c(=O)c1=O,1,100.0,0.0
+CCCCN(CC)CCNc1c(NC2CCN(C(=O)OCC)CC2)c(=O)c1=O,0,0.0,
+CCCCN(CC)Cc1c(C)[nH]c2ccccc2c1=O,0,0.0,
+CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1,0,0.0,
+CCCCN(CC)S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1,0,0.0,
+CCCCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1,0,0.0,
+CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1,0,0.0,
+CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,0,0.0,
+CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1,0,0.0,
+CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1,0,0.0,
+CCCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O,0,0.0,
+CCCCN(CCCC)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,1,100.0,0.0
+CCCCN(CCCC)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,0,0.0,
+CCCCN(CCCC)C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1,0,0.0,
+CCCCN(CCCC)C(=O)CSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCCC4,0,0.0,
+CCCCN(CCCC)CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,0,0.0,
+CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1,0,0.0,
+CCCCN(CCCC)CCNC(=O)Cc1nc2c(c(=O)[nH]c(=O)n2C)n1C,0,0.0,
+CCCCN(CCCC)CCn1cnc2c([nH]c3ccc(OC)cc32)c1=O,0,0.0,
+CCCCN(CCCC)Cc1ccc(N)cc1,0,0.0,
+CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1,0,0.0,
+CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1,0,0.0,
+CCCCN(CCCC)S(=O)(=O)c1ccc(OC)c2ncccc12,0,0.0,
+CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)N3CCOCC3)c(C)c2c1,0,0.0,
+CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC,1,100.0,
+CCCCN(CCCNC(=O)C1CCCN(S(=O)(=O)CC)C1)Cc1ccccc1,0,0.0,
+CCCCN(CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1,0,0.0,
+CCCCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1,0,0.0,
+CCCCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1,0,0.0,
+CCCCN(CCCNC(=O)CN1C(=O)COc2ccccc21)c1ccccc1,0,0.0,
+CCCCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1ccccc1,0,0.0,
+CCCCN(CCCNc1ncnc2nc[nH]c12)c1ccccc1,0,0.0,
+CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)COc1ccccc1,0,0.0,
+CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccccn1,0,0.0,
+CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccco1,0,0.0,
+CCCCN(Cc1ccccc1)C(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+CCCCN(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+CCCCN(Cc1ccccc1)c1ncnc2nc[nH]c12,0,0.0,
+CCCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O,0,0.0,
+CCCCN(c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,0,0.0,
+CCCCN(c1ccccc1)c1ncnc2nc[nH]c12,0,0.0,
+CCCCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21,0,0.0,
+CCCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21,0,0.0,
+CCCCN1C(=O)C(NC(C)=O)c2ccccc21,0,0.0,
+CCCCN1C(=O)C(O)(CC(=O)c2c(C)n[nH]c2C)c2cc(Br)ccc21,0,0.0,
+CCCCN1C(=O)C(O)(CC(=O)c2ccccc2OC)c2ccccc21,0,0.0,
+CCCCN1C(=O)C(O)(CC(=O)c2ccco2)c2cc(Br)ccc21,0,0.0,
+CCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)cc1OC,0,0.0,
+CCCCN1C(=O)C2C(C(=O)Nc3cccc(OC)c3)C3C=CC2(O3)C1C(=O)NC1CCCCC1C,0,0.0,
+CCCCN1C(=O)C2C(c3ccc(OC)cc3O)NC(CC(C)C)(C(=O)O)C2C1=O,0,0.0,
+CCCCN1C(=O)C2ON(c3ccccc3C)C(c3ccco3)C2C1=O,1,100.0,1.0
+CCCCN1C(=O)CC(Nc2ccc(CC)cc2)C1=O,0,0.0,
+CCCCN1C(=O)CN(CCc2ccccc2)C(=O)C1c1ccc(OC)cc1,0,0.0,
+CCCCN1C(=O)NC(=O)C2(Cc3c(nc4c(C)cccn4c3=O)N3CCc4ccccc4C32)C1=O,0,0.0,
+CCCCN1C(=O)NC(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4C32)C1=O,0,0.0,
+CCCCN1C(=O)NC(=O)C2(Cc3cc(C)ccc3N(C)C2)C1=O,0,0.0,
+CCCCN1C(=O)NC(=O)C2(Cc3ccccc3N3CCOCC32)C1=O,0,0.0,
+CCCCN1C(=O)c2ccc(C(=O)NC3=NCCS3)cc2C1=O,0,0.0,
+CCCCN1C(=O)c2ccc(C(=O)Nc3c(N)n(CCCC)c(=O)n(C)c3=O)cc2C1=O,0,0.0,
+CCCCN1C(=O)c2ccc(C(=O)Nc3cccnc3)cc2C1=O,0,0.0,
+CCCCN1C(=O)c2ccccc2C1C(=O)NC1CCCC1,0,0.0,
+CCCCN1C2=NCCCN2c2cc(C)c(C)cc21,0,0.0,
+CCCCN1C2CCCC1CC(NC(=O)c1ccc(OC)c(OC)c1)C2,0,0.0,
+CCCCN1CC(C(=O)NC2CCCCC2)CC1=O,0,0.0,
+CCCCN1CC(COc2ccccc2)OC1=O,0,0.0,
+CCCCN1CC(O)=C(c2nc3ccccc3[nH]2)C1=N,0,0.0,
+CCCCN1CC(O)=C(c2nc3ccccc3s2)C1=N,0,0.0,
+CCCCN1CCC(C#N)(Nc2ccccc2)CC1,0,0.0,
+CCCCN1CCCCC1C(=O)Nc1c(C)cc(C)cc1C,0,0.0,
+CCCCN1CCc2c([nH]c3c(C)cccc23)C1=O,0,0.0,
+CCCCN1CCc2c([nH]c3ccc(C)cc23)C1=O,0,0.0,
+CCCCN1CCc2c([nH]c3ccccc23)C1=O,0,0.0,
+CCCCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,0,0.0,
+CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,0,0.0,
+CCCCN1Cc2cc(C(=O)c3cc(F)ccc3O)cnc2NC1=O,0,0.0,
+CCCCN1c2cc(C)c(O)cc2C(C(=O)OCC)C1C,0,0.0,
+CCCCN1c2ccccc2N(CCCO)c2cc(C)nnc21,0,0.0,
+CCCCN=C(C)C1=C(O)CSC1=O,0,0.0,
+CCCCN=C(C)c1c(O)c2ccccc2oc1=O,0,0.0,
+CCCCN=C(N)/C(C(=O)OCC)=C(\O)c1ccc(OC)cc1,0,0.0,
+CCCCN=CC1=C(O)C(C(=O)OC)C(C)(C)CC1=O,0,0.0,
+CCCCN=Cc1c(O)n(-c2c(C)cc(C)cc2C)c(=O)[nH]c1=O,0,0.0,
+CCCCN=c1sc(C(=O)OC)cc(=O)n1CCCC,0,0.0,
+CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,0,0.0,
+CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1,0,0.0,
+CCCCNC(=O)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,0,0.0,
+CCCCNC(=O)C1C2C=CC3(CN(Cc4ccc(C)cc4)C(=O)C13)O2,0,0.0,
+CCCCNC(=O)C1C2C=CC3(CN(Cc4ccccc4Cl)C(=O)C13)O2,0,0.0,
+CCCCNC(=O)C1CC(=O)N(C2CCCCC2)C1,0,0.0,
+CCCCNC(=O)C1CC(=O)N(CCC(C)C)C1,0,0.0,
+CCCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1,0,0.0,
+CCCCNC(=O)C1CCCN1C(=O)Nc1cccc(OC)c1,0,0.0,
+CCCCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,0,0.0,
+CCCCNC(=O)C1COc2ccccc2O1,0,0.0,
+CCCCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1ccc(OC)cc1,0,0.0,
+CCCCNC(=O)CC(=O)Nc1ccccc1C(=O)O,0,0.0,
+CCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1,0,0.0,
+CCCCNC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21,0,0.0,
+CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)cc3)N2C1=O,0,0.0,
+CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(C)c3)N2C1=O,0,0.0,
+CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(OC)c3)N2C1=O,0,0.0,
+CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3C)N2C1=O,0,0.0,
+CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3OC)N2C1=O,0,0.0,
+CCCCNC(=O)CC1Nc2ccccc2NC1=O,0,0.0,
+CCCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1,0,0.0,
+CCCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C)cc2)n1C,0,0.0,
+CCCCNC(=O)CCCCCNS(=O)(=O)c1ccc(OC)cc1,0,0.0,
+CCCCNC(=O)CCCCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCCCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O,0,0.0,
+CCCCNC(=O)CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,0,0.0,
+CCCCNC(=O)CCSc1nc2nc(C)cc(C)n2n1,0,0.0,
+CCCCNC(=O)CCn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CCCCNC(=O)CN(C1CCCCC1)S(C)(=O)=O,0,0.0,
+CCCCNC(=O)CN1C(=O)C(CC)Oc2ccc(Cl)cc21,0,0.0,
+CCCCNC(=O)CN1CCC2(O)CCCCC2C1c1ccccc1OC,0,0.0,
+CCCCNC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1,0,0.0,
+CCCCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(C)cc2)oc1C,0,0.0,
+CCCCNC(=O)C[S+]([O-])Cc1nc(-c2cccc(C)c2)oc1C,0,0.0,
+CCCCNC(=O)C[S+]([O-])Cc1nc(-c2cccc(Cl)c2)oc1C,0,0.0,
+CCCCNC(=O)C[S+]([O-])Cc1nc(-c2cccs2)oc1C,0,0.0,
+CCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCN(CC)CC)OCO3,0,0.0,
+CCCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1,0,0.0,
+CCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1,0,0.0,
+CCCCNC(=O)CSc1nccn1Cc1ccccc1,0,0.0,
+CCCCNC(=O)CSc1nnc(-c2ccco2)n1C,0,0.0,
+CCCCNC(=O)CSc1nnc(NC(C)=O)s1,0,0.0,
+CCCCNC(=O)Cn1c(-c2ccc(OC)cc2)noc1=O,0,0.0,
+CCCCNC(=O)Cn1c(=O)n(C)c2ccccc21,0,0.0,
+CCCCNC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O,0,0.0,
+CCCCNC(=O)N(C)c1nncnc1C(=O)NC,0,0.0,
+CCCCNC(=O)N1CCOCCOCCN(C(=O)NCCCC)CCOCC1,1,100.0,0.0
+CCCCNC(=O)N1CCOCCOCCN(C(=O)NCCCC)CCOCCOCC1,0,0.0,
+CCCCNC(=O)NC1C(NC(=O)NCCCC)N(C)C(=O)N1C,0,0.0,
+CCCCNC(=O)NCC(=O)Nc1ccc(F)c(F)c1,0,0.0,
+CCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)OC(C)C)o1,0,0.0,
+CCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)OC)o1,0,0.0,
+CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,0,0.0,
+CCCCNC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,0,0.0,
+CCCCNC(=O)Nc1c(C(=O)OCC)[nH]c2ccccc12,0,0.0,
+CCCCNC(=O)Nc1cc(C(=O)OC)ccc1C,0,0.0,
+CCCCNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O,0,0.0,
+CCCCNC(=O)Nc1ccc(Br)cn1,0,0.0,
+CCCCNC(=O)Nc1ccc(C(O)(C(=O)OC)C(F)(F)F)cc1,0,0.0,
+CCCCNC(=O)Nc1ccc(C(O)(C(=O)OCC)C(F)(F)F)cc1,0,0.0,
+CCCCNC(=O)Nc1ccccc1C(=O)NCc1ccco1,0,0.0,
+CCCCNC(=O)Nc1ccnn1C1CCCCC1,1,100.0,
+CCCCNC(=O)Nc1ccon1,0,0.0,
+CCCCNC(=O)Nc1cnn(CC)c1C(N)=O,0,0.0,
+CCCCNC(=O)OC(C)CNC(=O)Oc1cccc(C)c1,0,0.0,
+CCCCNC(=O)OC1CCS(=O)(=O)C1,0,0.0,
+CCCCNC(=O)OCC(CC)NC(=O)OC(C)C,0,0.0,
+CCCCNC(=O)OCCNC(=O)NC,0,0.0,
+CCCCNC(=O)OCCNC(=O)Oc1cccc(C)c1,0,0.0,
+CCCCNC(=O)Oc1cccc(N2CCCC2=O)c1,0,0.0,
+CCCCNC(=O)c1c(C)cc(=O)oc1C,0,0.0,
+CCCCNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12,0,0.0,
+CCCCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12,0,0.0,
+CCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12,0,0.0,
+CCCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2c1=O,0,0.0,
+CCCCNC(=O)c1cc(-c2ccc(F)cc2)on1,0,0.0,
+CCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1,0,0.0,
+CCCCNC(=O)c1cc(-c2ccc(OC)cc2)on1,0,0.0,
+CCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,0,0.0,
+CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N,0,0.0,
+CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,0,0.0,
+CCCCNC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccccc1)N2,0,0.0,
+CCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,0,0.0,
+CCCCNC(=O)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1,0,0.0,
+CCCCNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1,0,0.0,
+CCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,0,0.0,
+CCCCNC(=O)c1ccc2c(c1)N(CC)C(=O)CS2,0,0.0,
+CCCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2(=O)=O,0,0.0,
+CCCCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1,0,0.0,
+CCCCNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,0.0,
+CCCCNC(=O)c1cccc(C(=O)NCCCC)c1,0,0.0,
+CCCCNC(=O)c1ccccc1C(=O)NCCCC,1,100.0,0.0
+CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,0,0.0,
+CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0.0,
+CCCCNC(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+CCCCNC(=O)c1nc2ncc(Br)cn2n1,0,0.0,
+CCCCNC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12,0,0.0,
+CCCCNC(=O)c1nnn(-c2ccccc2)c1N,0,0.0,
+CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc12,0,0.0,
+CCCCNC(=O)c1sc2nc(C)cc(COC)c2c1-n1cccc1,0,0.0,
+CCCCNC(NCCCC)=C(S(=O)(=O)CC)S(=O)(=O)CC,0,0.0,
+CCCCNC1=C(Br)C(=O)CC(C)(C)C1,0,0.0,
+CCCCNC1C(CC)C(CCC)C(C#N)(C#N)C1(C#N)C#N,0,0.0,
+CCCCNCC(=O)Nc1ccc(-c2nc3cc(NC(=O)CNCCCC)ccc3o2)cc1,0,0.0,
+CCCCNCCCOc1cccc(Cl)c1,1,100.0,0.0
+CCCCNCCOCCOc1ccc(F)cc1,0,0.0,
+CCCCNS(=O)(=O)c1ccc(OC)c2ncccc12,0,0.0,
+CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)Nc3sccc3C#N)[nH]c2c1,1,100.0,0.0
+CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)c3ccc(C#N)cc3)[nH]c2c1,0,0.0,
+CCCCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+CCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12,0,0.0,
+CCCCNc1cc(=O)n(C)c(=O)[nH]1,1,100.0,
+CCCCNc1cc(=O)n(C)c(=O)n1C,0,0.0,
+CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,0,0.0,
+CCCCNc1cc(C)nc(NCc2ccccc2)n1,1,100.0,
+CCCCNc1cc(C)oc(=O)c1C(C)=O,0,0.0,
+CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12,0,0.0,
+CCCCNc1nc(N(C)c2ccccc2)nc(-n2ccnc2)n1,0,0.0,
+CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1,0,0.0,
+CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC,0,0.0,
+CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1,0,0.0,
+CCCCNc1nc2ccccc2n1CC(=O)N1CCc2ccccc2C1,0,0.0,
+CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1,0,0.0,
+CCCCNc1ncnc2c1cnn2-c1ccc(C)cc1C,0,0.0,
+CCCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1,0,0.0,
+CCCCNc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+CCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1,0,0.0,
+CCCCOC(=O)C(C)Nc1n[nH]c(=O)[nH]c1=O,0,0.0,
+CCCCOC(=O)C(C)Oc1ccc(=O)n(-c2ccccc2)n1,0,0.0,
+CCCCOC(=O)C(C)c1c(C)[nH]c(=S)[nH]c1=O,0,0.0,
+CCCCOC(=O)C1=C(C)NC2(O)c3ccccc3C(=O)C12O,0,0.0,
+CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc(OC)ccc1OC,0,0.0,
+CCCCOC(=O)C1=C(C)Nc2ncnn2C1c1cc(OC)c(OC)cc1OC,0,0.0,
+CCCCOC(=O)C1=C(C)Nc2ncnn2C1c1cc(OC)ccc1OC,0,0.0,
+CCCCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc(OC)c(OC)c1,0,0.0,
+CCCCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc(OC)c(OC)c1OC,0,0.0,
+CCCCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc(OCC)c(OC)c1,0,0.0,
+CCCCOC(=O)C1=C(C)Nc2ncnn2C1c1cccc(OC)c1,0,0.0,
+CCCCOC(=O)C1=C(C)Nc2ncnn2C1c1cccc(OC)c1OC,0,0.0,
+CCCCOC(=O)C1=C(C)Nc2nnnn2C1c1ccc(OC)c(OC)c1OC,0,0.0,
+CCCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@]12C(=O)N(C)c1ccccc12,0,0.0,
+CCCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)N(C)c1ccccc12,0,0.0,
+CCCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12,0,0.0,
+CCCCOC(=O)C1C2C=CC3(CN(CCc4ccccc4)C(=O)C13)O2,0,0.0,
+CCCCOC(=O)C1CCCC(C(=O)OCCCC)N1,0,0.0,
+CCCCOC(=O)C1Cc2ccccc2C(=O)O1,0,0.0,
+CCCCOC(=O)C1[C@H]2C(=O)N(C(C)c3ccc(OC)cc3)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCCOC(=O)C1[C@H]2C(=O)N(CCCOC)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCCOC(=O)C1[C@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCCOC(=O)C1[C@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCCOC(=O)C1[C@H]2C(=O)N(c3ccccc3CC)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCCOC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C,0,0.0,
+CCCCOC(=O)CCc1n[nH]c(=O)[nH]c1=O,0,0.0,
+CCCCOC(=O)CCc1nc2ccccc2[nH]1,0,0.0,
+CCCCOC(=O)CCn1[nH]c(=O)c2ccccc2c1=O,0,0.0,
+CCCCOC(=O)CCn1c(=S)oc2ccccc21,0,0.0,
+CCCCOC(=O)CN1C(=O)c2ccc(C(=O)OCCCC)cc2C1=O,0,0.0,
+CCCCOC(=O)CNc1nnc(SCC(=O)OCC)[nH]c1=O,0,0.0,
+CCCCOC(=O)CSC1=C(C#N)C(c2ccc3c(c2)OCO3)CC(=O)N1,0,0.0,
+CCCCOC(=O)CSC1=C(C#N)C(c2ccccc2OC)C(C#N)C(=O)N1,0,0.0,
+CCCCOC(=O)CSC1=C(C#N)C(c2ccccc2OCC)C(C#N)C(=O)N1,0,0.0,
+CCCCOC(=O)CSCC(=O)Nc1cc(C)on1,0,0.0,
+CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N,0,0.0,
+CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N,0,0.0,
+CCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl,0,0.0,
+CCCCOC(=O)CSc1nc2c(cc1C#N)C(=O)CC(C)(C)C2,0,0.0,
+CCCCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1,0,0.0,
+CCCCOC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1,0,0.0,
+CCCCOC(=O)CSc1nnc(N)s1,0,0.0,
+CCCCOC(=O)Cc1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCCCOC(=O)Cc1n[nH]c(=O)[nH]c1=O,0,0.0,
+CCCCOC(=O)Cn1c(=N)n(CCC)c2ccccc21,0,0.0,
+CCCCOC(=O)Cn1c(=N)n(CCN2CCOCC2)c2ccccc21,0,0.0,
+CCCCOC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+CCCCOC(=O)Cn1c(=O)c2c(nc3n2CCCCN3c2ccc(C)cc2)n(C)c1=O,0,0.0,
+CCCCOC(=O)Cn1c(=O)oc2ccc(C)cc21,0,0.0,
+CCCCOC(=O)Cn1cnc2ccc(Br)cc2c1=O,0,0.0,
+CCCCOC(=O)N1CCOCCOCCN(C(=O)OCCCC)CCOCCOCC1,0,0.0,
+CCCCOC(=O)NCN1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+CCCCOC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC,0,0.0,
+CCCCOC(=O)Nc1cc(OC)c(Cl)cc1OC,0,0.0,
+CCCCOC(=O)Nc1ccc(C(=O)OC)cc1,0,0.0,
+CCCCOC(=O)Nc1ccc(C(=O)OCCC)cc1,0,0.0,
+CCCCOC(=O)Nc1ccc(N2CCCCC2)cc1,0,0.0,
+CCCCOC(=O)Nc1ccc(OC)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1,0,0.0,
+CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1,0,0.0,
+CCCCOC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1,0,0.0,
+CCCCOC(=O)Nc1cccc(C(C)=O)c1,1,100.0,0.0
+CCCCOC(=O)Nc1ccccc1C(=O)N1CCOCC1,0,0.0,
+CCCCOC(=O)Nc1ccccc1C(N)=O,0,0.0,
+CCCCOC(=O)Nc1nc(C)c(C(=O)OCC)s1,0,0.0,
+CCCCOC(=O)Nc1nc2ccc(OC)cc2s1,0,0.0,
+CCCCOC(=O)Nc1nccs1,0,0.0,
+CCCCOC(=O)Nc1nnc(-c2ccccc2OC)s1,0,0.0,
+CCCCOC(=O)Nc1nnc(CCOCC)s1,0,0.0,
+CCCCOC(=O)Nc1nnc(COc2ccccc2)s1,0,0.0,
+CCCCOC(=O)Nc1sc2c(c1C(=O)OC)CCC2,0,0.0,
+CCCCOC(=O)Sc1nc2ccccc2o1,0,0.0,
+CCCCOC(=O)c1[nH]c(C)c(C(=O)OC)c1C,1,100.0,
+CCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2,0,0.0,
+CCCCOC(=O)c1cc(=O)[nH]c2ccccc12,0,0.0,
+CCCCOC(=O)c1ccc(N2C(=O)CC(N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1,0,0.0,
+CCCCOC(=O)c1ccc(NC(=O)C(CCS(C)(=O)=O)NC(C)=O)cc1,0,0.0,
+CCCCOC(=O)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+CCCCOC(=O)c1ccc(NC(=O)CSCc2n[nH]c(=O)[nH]2)cc1,0,0.0,
+CCCCOC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1,0,0.0,
+CCCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1,0,0.0,
+CCCCOC(=O)c1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1,0,0.0,
+CCCCOC(=O)c1ccc(NC(=O)c2cnccn2)cc1,0,0.0,
+CCCCOC(=O)c1ccc(NC(=O)c2ocnc2C)cc1,0,0.0,
+CCCCOC(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3CC)ccc2OC)cc1,0,0.0,
+CCCCOC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1,0,0.0,
+CCCCOC(=O)c1ccc(OC(=O)c2cccnc2)cc1,1,100.0,0.0
+CCCCOC(=O)c1cccc(NC(=O)CC)c1,0,0.0,
+CCCCOC(=O)c1cccc(NC(=O)CCC(=O)O)c1,0,0.0,
+CCCCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+CCCCOC(=O)n1c(=O)oc2ccccc21,0,0.0,
+CCCCOC(=O)n1c(SCC(=O)N(C)C)nc2ccccc21,0,0.0,
+CCCCOC(=O)n1c(SCC(=O)N(CC)CC)nc2ccccc21,0,0.0,
+CCCCOC(=O)n1ccc(C(=O)Nc2ccccc2OC)n1,0,0.0,
+CCCCOCC(O)CN1CCN(C(C)=O)CC1,0,0.0,
+CCCCOCC(O)Cn1c(C)nc2ccccc21,0,0.0,
+CCCCOCC1CN(c2ccccc2)C(=O)CS1,0,0.0,
+CCCCOCCCNC(=O)C1CCCCC1,0,0.0,
+CCCCOCCCNC(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+CCCCOCCCNC(=O)COc1ccccc1,0,0.0,
+CCCCOCCCNC(=O)Cc1ccccc1OC,0,0.0,
+CCCCOCCCNC(=O)Cc1cccs1,0,0.0,
+CCCCOCCCNC(=O)N[C@@H](CC(C)C)C(=O)O,0,0.0,
+CCCCOCCCNC(=O)N[C@@H](CCSC)C(=O)OC,0,0.0,
+CCCCOCCCNC(=O)N[C@H](C(=O)OC)C(C)C,0,0.0,
+CCCCOCCCNC(=O)c1c(-c2ccccc2)noc1C,0,0.0,
+CCCCOCCCNC(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+CCCCOCCCNC(=O)c1ccc2c(c1)OCO2,0,0.0,
+CCCCOCCCNC(=O)c1ccccc1OCC,0,0.0,
+CCCCOCCCNC(=O)c1cccs1,0,0.0,
+CCCCOCCCNC1=NCCCCC1,0,0.0,
+CCCCOCCCNS(=O)(=O)Cc1ccccc1,0,0.0,
+CCCCOCCCNS(=O)(=O)c1ccccc1,0,0.0,
+CCCCOCCCn1c(-c2ccco2)nc2nc3ccccc3nc21,0,0.0,
+CCCCOCCCn1c(N)c(C(=O)OC(C)COC)c2nc3ccccc3nc21,0,0.0,
+CCCCOCCCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21,1,100.0,1.0
+CCCCOCCCn1cnc2c([nH]c3cc(OC)ccc32)c1=O,0,0.0,
+CCCCOCP(=O)(CCCC)COCCCC,0,0.0,
+CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F,0,0.0,
+CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccncc1,0,0.0,
+CCCCOc1[nH]c2nc(-c3ccco3)n(Cc3ccco3)c(=N)c2c1C#N,0,0.0,
+CCCCOc1c(Cl)cc(CNC(C)(C)CO)cc1OCC,0,0.0,
+CCCCOc1cc(=O)[nH]c(=O)[nH]1,0,0.0,
+CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,0,0.0,
+CCCCOc1cc(C)nc(NCc2ccccc2)n1,0,0.0,
+CCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1,0,0.0,
+CCCCOc1ccc(-c2nc(-c3cccnc3)no2)cc1,0,0.0,
+CCCCOc1ccc(-c2ncc(C(=O)O)c(C)n2)cc1,0,0.0,
+CCCCOc1ccc(-c2ncc(C(=O)OCC)c(N)n2)cc1,0,0.0,
+CCCCOc1ccc(-c2ncc(Cl)cn2)cc1,0,0.0,
+CCCCOc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+CCCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1,0,0.0,
+CCCCOc1ccc(-c2nnc(N)s2)cc1,0,0.0,
+CCCCOc1ccc(-c2nnn(C(C)(C)C(=O)OC)n2)cc1,1,100.0,
+CCCCOc1ccc(-c2nnn(C(C)C(=O)OCC)n2)cc1,0,0.0,
+CCCCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1,0,0.0,
+CCCCOc1ccc(-c2nnn(CC(=O)Nc3ncc(CC(=O)OCC)s3)n2)cc1,1,100.0,
+CCCCOc1ccc(-c2nnn(CCC(=O)N3CCOCC3)n2)cc1,0,0.0,
+CCCCOc1ccc(/C(N)=N/O)cc1,0,0.0,
+CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)C2c2ccncc2)cc1,0,0.0,
+CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)C2c2ccncc2)cc1C,0,0.0,
+CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(O)c(OC)c2)cc1,0,0.0,
+CCCCOc1ccc(/C=c2\sc3ncnn3c2=O)cc1,0,0.0,
+CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1,0,0.0,
+CCCCOc1ccc(C(=O)CCNC(C(=O)O)C(C)CC)cc1,0,0.0,
+CCCCOc1ccc(C(=O)N2CCC(C)CC2)cc1,0,0.0,
+CCCCOc1ccc(C(=O)N2CCCC2C(=O)O)cc1,0,0.0,
+CCCCOc1ccc(C(=O)N2CCCCCC2)cc1,0,0.0,
+CCCCOc1ccc(C(=O)NC)cc1,0,0.0,
+CCCCOc1ccc(C(=O)NCC(=O)NCC(=O)OCC)cc1,0,0.0,
+CCCCOc1ccc(C(=O)NCCCC(=O)N2CCCCC2)cc1,0,0.0,
+CCCCOc1ccc(C(=O)NCc2ccccn2)cc1,0,0.0,
+CCCCOc1ccc(C(=O)NCc2ccco2)cc1,0,0.0,
+CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1,0,0.0,
+CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1,0,0.0,
+CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1,0,0.0,
+CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1OC,0,0.0,
+CCCCOc1ccc(C(=O)Nc2cccc(C)n2)cc1,0,0.0,
+CCCCOc1ccc(C(=O)Nc2ccncc2)cc1,1,100.0,
+CCCCOc1ccc(C(=O)Nn2cnnc2)cc1,0,0.0,
+CCCCOc1ccc(C(=O)O)cc1,0,0.0,
+CCCCOc1ccc(C(=O)OC(C)CN(C)C)cc1,0,0.0,
+CCCCOc1ccc(C(=O)OC2CC(C)N(C)CC2C)cc1,1,100.0,1.0
+CCCCOc1ccc(C(=O)Oc2ccc(C)nc2)cc1,0,0.0,
+CCCCOc1ccc(C(C)(O)CCN2CCOCC2)cc1,1,100.0,1.0
+CCCCOc1ccc(C(C)NC(=O)C2CCCN(S(=O)(=O)CC)C2)cc1,0,0.0,
+CCCCOc1ccc(C(O)(CCC)CCN2CCOCC2)cc1,0,0.0,
+CCCCOc1ccc(C)cc1CN(CCO)CCO,1,100.0,
+CCCCOc1ccc(C2(C(=O)O)CCCC2)cc1,0,0.0,
+CCCCOc1ccc(C2(C)CC(=O)NC2=O)cc1,0,0.0,
+CCCCOc1ccc(C2C3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC,0,0.0,
+CCCCOc1ccc(C2CC(=O)N(C)C2=O)cc1,0,0.0,
+CCCCOc1ccc(C2CC(=O)NC2=O)cc1,0,0.0,
+CCCCOc1ccc(CC(=O)NO)cc1,0,0.0,
+CCCCOc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1,0,0.0,
+CCCCOc1ccc(CN(C)c2ncnc(N)n2)cc1,0,0.0,
+CCCCOc1ccc(CN2CCC(O)CC2)cc1,1,100.0,0.0
+CCCCOc1ccc(CN2CCCCC2)cc1,1,100.0,1.0
+CCCCOc1ccc(CN2CCN(CCO)CC2)cc1,1,100.0,1.0
+CCCCOc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1,0,0.0,
+CCCCOc1ccc(CSC(CC(=O)O)C(=O)O)cc1,0,0.0,
+CCCCOc1ccc(CSc2n[nH]c(C)n2)cc1,0,0.0,
+CCCCOc1ccc(CSc2ncn[nH]2)cc1,0,0.0,
+CCCCOc1ccc(CSc2nncn2N)cc1,0,0.0,
+CCCCOc1ccc(Cl)cc1CSc1nnc(C)n1N,0,0.0,
+CCCCOc1ccc(Cl)cc1CSc1nnc(CC)n1N,0,0.0,
+CCCCOc1ccc(Cl)cc1CSc1nncn1N,0,0.0,
+CCCCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1,0,0.0,
+CCCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1,0,0.0,
+CCCCOc1ccc(N2CC(C(=O)NC(C)C)CC2=O)cc1,0,0.0,
+CCCCOc1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,0,0.0,
+CCCCOc1ccc(NC(=O)CN2CCN(C(=O)OCC)CC2)cc1,0,0.0,
+CCCCOc1ccc(NC(=O)CSCC(=O)OCC)cc1,0,0.0,
+CCCCOc1ccc(NC(=O)CSc2nnnn2C)cc1,0,0.0,
+CCCCOc1ccc(NC(=O)Cn2c(=O)ccc3c(C)cc(C)nc32)cc1,0,0.0,
+CCCCOc1ccc(NC(=O)c2cnc(C)cn2)cc1,0,0.0,
+CCCCOc1ccc(NC2=NC3(CCCC3)N=C(N)N2)cc1,1,100.0,1.0
+CCCCOc1ccc(NC2=NC3(CCCCC3)N=C(N)N2)cc1,1,100.0,0.0
+CCCCOc1ccc(OC(=O)c2cccnc2)cc1,0,0.0,
+CCCCOc1ccc(OCCCC)c2c1NC1(N2)C(=O)N(C(C)=O)c2ccccc21,0,0.0,
+CCCCOc1ccc(OCCCN2CCOCC2)cc1,0,0.0,
+CCCCOc1ccc(OCCNS(=O)(=O)N(C)C)cc1,0,0.0,
+CCCCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+CCCCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1,0,0.0,
+CCCCOc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1,0,0.0,
+CCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1,0,0.0,
+CCCCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1,1,100.0,0.0
+CCCCOc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CCCCOc1cccc(-c2nnc(N)s2)c1,0,0.0,
+CCCCOc1cccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)c1,0,0.0,
+CCCCOc1cccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1,0,0.0,
+CCCCOc1cccc(C(=O)NCc2ccco2)c1,0,0.0,
+CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c1,1,100.0,1.0
+CCCCOc1cccc(C(=O)O)c1,0,0.0,
+CCCCOc1cccc(C2(C(=O)O)CCCC2)c1,0,0.0,
+CCCCOc1cccc(NC(=O)CSc2nccn2C)c1,0,0.0,
+CCCCOc1cccc(OCCCC)c1C(=O)Nc1cc(C)on1,0,0.0,
+CCCCOc1ccccc1-c1cc(C(=O)O)[nH]n1,0,0.0,
+CCCCOc1ccccc1/C=c1/sc2nc(-c3oc4ccccc4c3C)nn2c1=O,0,0.0,
+CCCCOc1ccccc1C(=O)NCC(=O)O,0,0.0,
+CCCCOc1ccccc1C(=O)NCCCC(=O)O,0,0.0,
+CCCCOc1ccccc1C(=O)NCCCCCC(=O)O,0,0.0,
+CCCCOc1ccccc1C1C(C(=O)OC)=CN(CC)C=C1C(=O)OC,0,0.0,
+CCCCOc1ccccc1C1C(C(N)=O)=C(C)Nc2nnnn21,0,0.0,
+CCCCOc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2,0,0.0,
+CCCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOC,0,0.0,
+CCCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOCC,0,0.0,
+CCCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCc1ccco1,0,0.0,
+CCCCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21,0,0.0,
+CCCCOc1ccccc1Cn1c(=O)oc2ccccc21,0,0.0,
+CCCCOc1ccccc1N1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,0,0.0,
+CCCCOc1ccccc1NC(=O)C=C(C)C,0,0.0,
+CCCCOc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O,0,0.0,
+CCCCOc1ccccc1NC(=O)CC1SC(=NCC)N(CC)C1=O,1,100.0,0.0
+CCCCOc1ccccc1NC(=O)CSc1nnnn1C(C)(C)C,0,0.0,
+CCCCOc1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21,0,0.0,
+CCCCOc1ccccc1NC(=O)c1ccc(=O)[nH]c1,0,0.0,
+CCCCOc1ccccc1NC(=O)c1ccco1,0,0.0,
+CCCCOc1ccccc1P(=O)(O)CP(=O)(c1ccccc1)c1ccccc1,0,0.0,
+CCCCOc1nc(N)nc(-c2ccccc2)n1,0,0.0,
+CCCCOc1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1,0,0.0,
+CCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1,0,0.0,
+CCCCOc1nccc2c1n(C)c(=O)n2C,0,0.0,
+CCCCOc1ncnc2c1[nH]c1ccc(F)cc12,0,0.0,
+CCCCOc1ncnc2c1[nH]c1ccccc12,0,0.0,
+CCCCOn1c(C)c(C(=O)OCC)c2c3no[n+]([O-])c3ccc21,0,0.0,
+CCCCOn1c(C)c(C(=O)OCC)c2c3nonc3ccc21,0,0.0,
+CCCCP(=O)(CCCC)Cc1ccccc1O,0,0.0,
+CCCCP(=O)(CCCC)c1ccccc1C(=O)O,1,100.0,0.0
+CCCCP(=O)(O)CCC(=O)O,0,0.0,
+CCCCP(=O)(O)c1ccccc1,0,0.0,
+CCCCP(=O)(c1ccccn1)c1ccccn1,0,0.0,
+CCCCS(=O)(=O)/C=C\C1C2C=CC(C2)C1S(=O)(=O)CCCC,0,0.0,
+CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC,0,0.0,
+CCCCS(=O)(=O)C(=C1Nc2ccccc2N1)S(=O)(=O)CCCC,0,0.0,
+CCCCS(=O)(=O)N1CN(S(=O)(=O)CCCC)C2NC(=O)NC21,0,0.0,
+CCCCS(=O)(=O)NC1=NCN(C2CCN(Cc3ccccc3)CC2)CN1,0,0.0,
+CCCCS(=O)(=O)NC1=NCN(CCO)CN1,0,0.0,
+CCCCS(=O)(=O)NC1=NCN(CCOC(=O)c2ccccc2)CN1,0,0.0,
+CCCCS(=O)(=O)NC1=NCN(Cc2ccco2)CN1,0,0.0,
+CCCCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1,0,0.0,
+CCCCS(=O)(=O)Nc1ccc2c(c1)ncn2C1CCCCC1,0,0.0,
+CCCCS(=O)(=O)Nc1ccc2ncn(C)c(=O)c2c1,0,0.0,
+CCCCS(=O)(=O)c1sc2nc(C)cc(C)c2c1N,0,0.0,
+CCCCS(=O)(=O)c1sc2nc3c(cc2c1N)CCCC3,0,0.0,
+CCCC[S+]([O-])CC(COCc1ccccc1)OC(=O)CSc1nc(C)cc(C)n1,0,0.0,
+CCCC[S+]([O-])CC(COc1ccc(Cl)cc1)OC(=O)c1ccccc1,0,0.0,
+CCCC[S+]([O-])CC(C[S+]([O-])CCCC)OC(=O)c1ccc(C)cc1,0,0.0,
+CCCC[S+]([O-])CC(C[S+]([O-])CCCC)OC(=O)c1ccccc1,0,0.0,
+CCCC[S+]([O-])CC(O)COc1ccc(C(C)(C)C)cc1,0,0.0,
+CCCCS/C(=C(/C#N)C(N)=O)c1cc2c([nH]1)CCCC2,1,100.0,1.0
+CCCCSC1=C(C#N)C(c2ccccc2C)C(C(=O)OCC)C(=O)N1,0,0.0,
+CCCCSC1=C(C#N)C(c2ccccc2C)CC(=O)N1,0,0.0,
+CCCCSCCCNC(=O)C[S+]([O-])Cc1nc(-c2cccc(C)c2)oc1C,0,0.0,
+CCCCSCCCNC(=O)Nc1cccc(OC)c1,0,0.0,
+CCCCSCc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC,0,0.0,
+CCCCSP1(=S)NCCCN1,0,0.0,
+CCCCSP1(=S)NCCCO1,0,0.0,
+CCCCSc1c(C)c2cc3c(cc2[nH]c1=O)OCO3,0,0.0,
+CCCCSc1cc(C)nc2ncnn12,0,0.0,
+CCCCSc1nc(C)c(C(C)=O)cc1C#N,0,0.0,
+CCCCSc1nc(C)c(CC(=O)O)c(=O)[nH]1,0,0.0,
+CCCCSc1nc(C)c(CC(=O)OC)c(=O)[nH]1,0,0.0,
+CCCCSc1nc(CCC)cc(=O)[nH]1,0,0.0,
+CCCCSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,0,0.0,
+CCCCSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1,0,0.0,
+CCCCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1C,0,0.0,
+CCCCSc1nc2c(c(=O)[nH]1)CCC2,0,0.0,
+CCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CCCCSc1nc2c(c(=O)n1CC)SC(C)C2,0,0.0,
+CCCCSc1nc2c(cc1C#N)CCC2,0,0.0,
+CCCCSc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1,0,0.0,
+CCCCSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1,0,0.0,
+CCCCSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1,1,100.0,0.0
+CCCCSc1nn[nH]n1,0,0.0,
+CCCCSc1nnc(-c2c[nH]c3ccccc23)n1C,0,0.0,
+CCCCSc1nnc(-c2cc(Br)ccc2N)c(=O)[nH]1,0,0.0,
+CCCCSc1nnc(-c2ccc(C)cc2)o1,0,0.0,
+CCCCSc1nnc(-c2ccc(NC(=O)CC)cc2)n1C,0,0.0,
+CCCCSc1nnc(-c2ccc(NC(C)=O)cc2)n1C,0,0.0,
+CCCCSc1nnc(-c2ccccc2N)c(=O)[nH]1,0,0.0,
+CCCCSc1nnc(C)c(=O)[nH]1,0,0.0,
+CCCCSc1nnc(CCC)n1N,0,0.0,
+CCCCSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1,0,0.0,
+CCCCSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1,0,0.0,
+CCCCSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1,0,0.0,
+CCCCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1,0,0.0,
+CCCCSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1,0,0.0,
+CCCCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,0,0.0,
+CCCCSc1nnc2nc(C)cc(C)n12,0,0.0,
+CCCCSc1nsc(NC(C)=O)n1,0,0.0,
+CCCC[n+]1cc(/N=C(\[O-])OC)on1,0,0.0,
+CCCCc1[nH]c(=O)c(C#N)c2c1CSC(C)(C)C2,0,0.0,
+CCCCc1[nH]nc2c1C1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2,0,0.0,
+CCCCc1c(C(=O)O)cc(OC)cc1C(=O)O,0,0.0,
+CCCCc1c(C)c2ccc(OC)c(/C(C)=N\O)c2oc1=O,0,0.0,
+CCCCc1c(C)c2ccc(OCC(C)=O)cc2oc1=O,0,0.0,
+CCCCc1c(C)nc(N)[nH]c1=O,0,0.0,
+CCCCc1c(C)nn(-c2nnc3c4ccccc4n(C)c3n2)c1C,0,0.0,
+CCCCc1c(C)nn(-c2nnc3c4ccccc4n(CC)c3n2)c1C,1,100.0,0.0
+CCCCc1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCCCc1c(O)n2c(nc3ccccc32)[nH]c1=O,0,0.0,
+CCCCc1c(O)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O,0,0.0,
+CCCCc1c(O)nc(SCC(=O)N2CCCCC2)n(-c2ccccc2C)c1=O,0,0.0,
+CCCCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O,0,0.0,
+CCCCc1c(O)nc(SCC(=O)N2CCOCC2)n(-c2ccccc2C)c1=O,0,0.0,
+CCCCc1c(O)nc(SCC(=O)NCC2CCCO2)[nH]c1=O,0,0.0,
+CCCCc1c(O)nc(SCC(=O)NCCc2ccc(OC)c(OC)c2)[nH]c1=O,0,0.0,
+CCCCc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O,0,0.0,
+CCCCc1c(O)nc(SCC(=O)c2ccccc2)[nH]c1=O,0,0.0,
+CCCCc1c(O)nc(SCCN(C)C)n(-c2ccccc2)c1=O,0,0.0,
+CCCCc1c(O)nc2n(c1=O)CCS2,0,0.0,
+CCCCc1cc(=O)oc2c(CN(C)C)c(O)c(Cl)cc12,0,0.0,
+CCCCc1cc(=O)oc2c(CN(C)C)c(O)ccc12,0,0.0,
+CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12,0,0.0,
+CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12,1,100.0,0.0
+CCCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12,0,0.0,
+CCCCc1cc(=O)oc2cc(C)cc(OC(C)C(=O)O)c12,0,0.0,
+CCCCc1cc(=O)oc2cc(C)cc(OCc3nn[nH]n3)c12,0,0.0,
+CCCCc1cc(=O)oc2cc(OCC(=O)N(C)C)c(Cl)cc12,0,0.0,
+CCCCc1cc(=O)oc2cc(OCC(=O)N(CC)CC)c(Cl)cc12,0,0.0,
+CCCCc1cc(=O)oc2cc(OCC(=O)N(CC)CC)ccc12,0,0.0,
+CCCCc1cc(=O)oc2cc(OCc3nn[nH]n3)c(Cl)cc12,0,0.0,
+CCCCc1cc(O)c(CCCC)c(O)c1,1,100.0,
+CCCCc1cc2c(c(NC(=O)CC)n1)c(=O)oc1ccccc12,0,0.0,
+CCCCc1cc2c(c(NC(C)=O)n1)c(=O)oc1ccccc12,0,0.0,
+CCCCc1ccc(-c2ccc(C)cc2O)nc1,0,0.0,
+CCCCc1ccc(-c2nc(-c3ccncc3)no2)cc1,0,0.0,
+CCCCc1ccc(-c2nc(N)n[nH]2)cc1,0,0.0,
+CCCCc1ccc(C(=O)NC(C(=O)O)C(C)C)cc1,0,0.0,
+CCCCc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)s1,0,0.0,
+CCCCc1ccc(CC(=O)O)cc1,0,0.0,
+CCCCc1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+CCCCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+CCCCc1ccc(NC(=O)CC(C)=O)cc1,0,0.0,
+CCCCc1ccc(NC(=O)COCC)cc1,0,0.0,
+CCCCc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1,0,0.0,
+CCCCc1ccc(NC(=O)N[C@H](C(=O)O)C(C)C)cc1,0,0.0,
+CCCCc1ccc(NC(=O)N[C@H](C(=O)O)C(C)CC)cc1,0,0.0,
+CCCCc1ccc(NC(=O)OC)cc1,0,0.0,
+CCCCc1ccc(NC(=O)c2c(C)noc2C)cc1,0,0.0,
+CCCCc1ccc(Nc2nc(CCC)cc(=O)[nH]2)cc1,0,0.0,
+CCCCc1ccc(Nc2ncnc3nc[nH]c23)cc1,0,0.0,
+CCCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1,0,0.0,
+CCCCc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1,0,0.0,
+CCCCc1ccc2[nH]cc(CCN)c2c1,0,0.0,
+CCCCc1n[nH]c2c1/C(=N/O)CC(c1ccccc1)C2,0,0.0,
+CCCCc1n[nH]c2c1C(=O)CC(C)(C)C2,0,0.0,
+CCCCc1nc(N2CCNCC2)c(C#N)c2c1CSC(C)(C)C2,1,100.0,1.0
+CCCCc1nc(N2CCOCC2)c(C#N)c2c1CCCC2,0,0.0,
+CCCCc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CCCCc1nc(NCC2CCCO2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CCCCc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CCCCc1nc(NCCNC(=O)c2ccco2)c(C#N)c2c1CSC(C)(C)C2,0,0.0,
+CCCCc1nc(SCC(=O)Nc2cc(C)on2)n[nH]1,0,0.0,
+CCCCc1nc2c(=O)[nH]c3ccccc3c2o1,0,0.0,
+CCCCc1nc2ccccc2c(=O)n1-c1ccc(O)cc1,0,0.0,
+CCCCc1nc2ccccc2c(=O)n1-c1ccccc1O,0,0.0,
+CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2c(n(CC(C)C)c1=O)CCCC2,0,0.0,
+CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3,0,0.0,
+CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+CCCCc1nc2ccccc2c(C(=O)O)c1C,0,0.0,
+CCCCc1nc2ccccc2n1Cc1nnc2n1-c1ccccc1SC2,0,0.0,
+CCCCc1nc2ccccc2n2cc3c(=O)n(C)c(=O)n(C)c3c12,0,0.0,
+CCCCc1nc2n[nH]c(N)c2c2c1CCC2,0,0.0,
+CCCCc1nc2n[nH]c(N)c2c2c1CCCC2,0,0.0,
+CCCCc1nc2sc3c(c2c(=O)[nH]1)CCC3,0,0.0,
+CCCCc1nccn1CCn1ccnc1CCCC,0,0.0,
+CCCCc1nnc(NC(=O)C2CCCO2)s1,0,0.0,
+CCCCc1nnc(NC(=O)C=C(C)C)s1,0,0.0,
+CCCCc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)s1,0,0.0,
+CCCCc1nnc(SCCSc2nnc(CCCC)n2N)n1N,0,0.0,
+CCCCc1nnc(SCc2ccc(OCC)cc2)n1N,0,0.0,
+CCCCc1noc2c1/C(=N\O)CC(c1ccccc1)C2,0,0.0,
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,0,0.0,
+CCCCn1c(-c2cc(Cl)ccc2OC)n[nH]c1=S,0,0.0,
+CCCCn1c(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)[nH]c21,0,0.0,
+CCCCn1c(-c2ccccc2)nc2c(=O)n(C)c(=O)[nH]c21,0,0.0,
+CCCCn1c(-c2ccccc2)nnc1-c1ccccc1,0,0.0,
+CCCCn1c(-c2ccsc2)nc2c1c(=O)[nH]c(=O)n2CCC,0,0.0,
+CCCCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21,0,0.0,
+CCCCn1c(/N=C/c2cc(OC)ccc2O)nc2ccccc21,0,0.0,
+CCCCn1c(=N)n(CC(=O)C(C)(C)C)c2ccccc21,0,0.0,
+CCCCn1c(=N)n(CC(O)COc2ccc(C)cc2)c2ccccc21,0,0.0,
+CCCCn1c(=N)n(CC(O)COc2cccc(C)c2)c2ccccc21,0,0.0,
+CCCCn1c(=N)n(CC(O)COc2ccccc2)c2ccccc21,1,100.0,0.0
+CCCCn1c(=NC(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCCCn1c(=NC(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,0,0.0,
+CCCCn1c(=NC(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,0,0.0,
+CCCCn1c(=NC(C)=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C#N)cc1)n2C1CCCC1,0,0.0,
+CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccncc1)n2CCOC,0,0.0,
+CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1C(=O)c3ccccc3S1(=O)=O)n2CCC,0,0.0,
+CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1c(C)noc1C)n2CCC,0,0.0,
+CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1ccc(C#N)cc1)n2CCC,0,0.0,
+CCCCn1c(=O)[nH]c2ccccc21,1,100.0,0.0
+CCCCn1c(=O)c(-c2ccccc2)c(O)c2ccccc21,0,0.0,
+CCCCn1c(=O)c(C(=O)NCc2ccncc2)c(O)c2ccccc21,0,0.0,
+CCCCn1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21,0,0.0,
+CCCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21,0,0.0,
+CCCCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21,0,0.0,
+CCCCn1c(=O)c(C(=O)OCC)c(O)c2ccccc21,0,0.0,
+CCCCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21,0,0.0,
+CCCCn1c(=O)c2c(c3ccccc31)OCC(=O)N2,0,0.0,
+CCCCn1c(=O)c2ccccc2c2ccccc2c1=O,0,0.0,
+CCCCn1c(=O)cc(N2CCOCC2)[nH]c1=O,0,0.0,
+CCCCn1c(=O)n(C)c(=O)c2c(C(F)(F)F)cc(-c3ccncc3)nc21,0,0.0,
+CCCCn1c(=O)n(C)c(=O)c2c3c(sc21)COC(C)(C)C3,0,0.0,
+CCCCn1c(=O)n(CC(=O)NCc2ccc(C)cc2)c(=O)c2c1nc(CO)n2CCC,0,0.0,
+CCCCn1c(=O)n(CC(=O)Nc2c(CC)cccc2CC)c(=O)c2c1nc(CO)n2CCC,0,0.0,
+CCCCn1c(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(=O)c2c1ncn2Cc1ccco1,0,0.0,
+CCCCn1c(=O)n(CC(O)c2ccccc2)c(=O)c2c1ncn2C1CCCC1,1,100.0,0.0
+CCCCn1c(=O)n(Cc2cccc(F)c2)c(=O)c2c1ncn2Cc1ccco1,1,100.0,0.0
+CCCCn1c(=O)n(Cc2nnc(-c3ccccc3)o2)c(=O)c2c1ncn2C1CCCC1,1,100.0,0.0
+CCCCn1c(=S)[nH]c2c(oc3ccc(Cl)cc32)c1=O,0,0.0,
+CCCCn1c(=S)[nH]c2ncccc2c1=O,0,0.0,
+CCCCn1c(C(C)NC(=O)CC)nc2ccccc21,0,0.0,
+CCCCn1c(C(C)NC(=O)CCC)nc2ccccc21,1,100.0,0.0
+CCCCn1c(C(C)NC(=O)COC)nc2ccccc21,0,0.0,
+CCCCn1c(C(C)NC(=O)c2cccs2)nc2ccccc21,1,100.0,0.0
+CCCCn1c(C(C)O)nc2ccccc21,0,0.0,
+CCCCn1c(C)c(C(=O)O)c2cc(OC)ccc21,0,0.0,
+CCCCn1c(C)c(C(=O)OCC)c2c(CN3CCOCC3)c(O)ccc21,0,0.0,
+CCCCn1c(C)cc2cc(O)ccc21,0,0.0,
+CCCCn1c(C)nc2c(=O)n(C)c(=O)[nH]c21,0,0.0,
+CCCCn1c(CCC(=O)O)ccc1-c1cccs1,0,0.0,
+CCCCn1c(CCCNC(=O)CC)nc2ccccc21,0,0.0,
+CCCCn1c(CCNC(=O)CC)nc2ccccc21,0,0.0,
+CCCCn1c(CCNC(=O)CCC)nc2ccccc21,0,0.0,
+CCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21,0,0.0,
+CCCCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O,0,0.0,
+CCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(CN2CCN(C)CC2)nc2ccccc21,1,100.0,1.0
+CCCCn1c(CN2CCN(CCO)CC2)nc2ccccc21,0,0.0,
+CCCCn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(CNC(=O)C(C)(C)C)nc2ccccc21,0,0.0,
+CCCCn1c(CNC(=O)CC)nc2ccccc21,0,0.0,
+CCCCn1c(CNC(=O)CCC)nc2ccccc21,0,0.0,
+CCCCn1c(CNC(=O)c2cccs2)nc2ccccc21,0,0.0,
+CCCCn1c(CNC(C)=O)nc2ccccc21,0,0.0,
+CCCCn1c(Cc2ccccc2)n[nH]c1=S,1,100.0,1.0
+CCCCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(N(CCOC(C)=O)C(C)=O)nc2ccccc21,0,0.0,
+CCCCn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21,0,0.0,
+CCCCn1c(N)c(C(=O)OCC2CCCO2)c2nc3ccccc3nc21,0,0.0,
+CCCCn1c(N)c(N(CC)C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)c2ccco2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(N)c(N(CCC(C)C)C(=O)CSc2nnc(C)s2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(N)c(N(CCC(C)C)C(=O)CSc2nnc3ccccn23)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3ccc(C)cc3[nH]2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(N)c(Sc2ccc(C)cc2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCn1c(NC(=O)CC)c(C#N)c2nc3ccccc3nc21,0,0.0,
+CCCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc21,0,0.0,
+CCCCn1c(NC(=O)c2ccccc2)nc2ccccc21,0,0.0,
+CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc21,0,0.0,
+CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc21,0,0.0,
+CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc21,0,0.0,
+CCCCn1c(NC(C)CC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCn1c(NCCC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCn1c(NCCO)nc2ccccc21,0,0.0,
+CCCCn1c(NCc2ccccc2O)nc2ccccc21,0,0.0,
+CCCCn1c(NCc2ccccn2)nc2ccccc21,0,0.0,
+CCCCn1c(O)c(C(C)=NC(C)c2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(C)=NC(Cc2c[nH]c3ccccc23)C(=O)OC)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(C)=NCCCN(C)C)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(C)=NCCCN(CC)CC)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(C)=NCCN2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(C)=NCCc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(C)=NCc2ccc(F)cc2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(C)=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)[nH]c1=O,1,100.0,1.0
+CCCCn1c(O)c(C(C)=Nc2ccc(C(=O)O)cc2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(C)=Nc2ccc(OCC)cc2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(C)=Nc2cccc(C(=O)O)c2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(CC)=NCCN2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(CC)=NCCc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(CC)=NCc2ccc3c(c2)OCO3)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(CC)=Nc2ccc(C(=O)O)cc2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(CC)=Nc2ccc(OCC)cc2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(CC)=Nc2ccc3c(c2)CCC3)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C(CC)=Nc2cccc(C(=O)O)c2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C=NC2CC3CCC2(C)C3(C)C)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C=NC2CCCCC2N)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C=NCCCN(C)C)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C=NCCCN(CC)CC)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C=NCCCn2ccnc2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C=NCCN2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCCCn1c(O)c(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)[nH]c1=O,1,100.0,0.0
+CCCCn1c(Oc2ccc(C(=O)OC)cc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(S(=O)(=O)O)nc2ccccc21,0,0.0,
+CCCCn1c(SCC(=O)N(CC)C2CCS(=O)(=O)C2)nnc1C(CC)N(C)C,0,0.0,
+CCCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C,0,0.0,
+CCCCn1c(SCC(=O)N2CC(C)CC(C)C2)nc2cc(S(N)(=O)=O)ccc21,0,0.0,
+CCCCn1c(SCC(=O)N2CCC(C(=O)OCC)CC2)nc2cc(S(N)(=O)=O)ccc21,0,0.0,
+CCCCn1c(SCC(=O)N2CCC(C)CC2)nc2cc(S(N)(=O)=O)ccc21,0,0.0,
+CCCCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCC(=O)N2CCCCC2)nc2cc(S(N)(=O)=O)ccc21,0,0.0,
+CCCCn1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccsc2c1=O,0,0.0,
+CCCCn1c(SCC(=O)N2CCOCC2)nnc1-c1cccs1,0,0.0,
+CCCCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2cc(S(N)(=O)=O)ccc21,0,0.0,
+CCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccco1,0,0.0,
+CCCCn1c(SCC(=O)NCC2CCCO2)nc2ccc(N3CCOCC3)cc2c1=O,0,0.0,
+CCCCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCC(=O)NCc2ccccc2)nc2ccc(N3CCOCC3)cc2c1=O,0,0.0,
+CCCCn1c(SCC(=O)NCc2ccco2)nc2ccc(N3CCOCC3)cc2c1=O,0,0.0,
+CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccco1,0,0.0,
+CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccoc1C,0,0.0,
+CCCCn1c(SCC(=O)NCc2cccs2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCC(=O)Nc2cc(C)[nH]n2)nc2ccsc2c1=O,0,0.0,
+CCCCn1c(SCC(=O)Nc2cc(C)on2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O,0,0.0,
+CCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccsc2c1=O,0,0.0,
+CCCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccnc1,0,0.0,
+CCCCn1c(SCC(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)nc2ccccc2c1=O,0,0.0,
+CCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccc(N3CCOCC3)cc2c1=O,0,0.0,
+CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1,0,0.0,
+CCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccc(N3CCOCC3)cc2c1=O,0,0.0,
+CCCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1,0,0.0,
+CCCCn1c(SCC(=O)Nc2nnc(C(C)C)s2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCC(=O)Nc2nnc(C)s2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccoc1C,0,0.0,
+CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2ccccc2c1=O,1,100.0,0.0
+CCCCn1c(SCC(=O)O)nc2ccccc21,0,0.0,
+CCCCn1c(SCC(=O)OC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCC(=O)OCC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCn1c(SCC(=O)OCC)nnc1-c1ccoc1C,0,0.0,
+CCCCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2cc(S(N)(=O)=O)ccc21,0,0.0,
+CCCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2cc(S(N)(=O)=O)ccc21,0,0.0,
+CCCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccco1,0,0.0,
+CCCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccoc1C,0,0.0,
+CCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCn1c(SCC(N)=O)nnc1-c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCCCn1c(SCC2CCCCO2)nc2cc(S(N)(=O)=O)ccc21,0,0.0,
+CCCCn1c(SCN2C(=O)c3ccccc3C2=O)nc2cc(S(N)(=O)=O)ccc21,0,0.0,
+CCCCn1c(SCc2c(C)noc2C)nc2cc(S(N)(=O)=O)ccc21,0,0.0,
+CCCCn1c(SCc2cc(=O)[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCc2cc(=O)n3ccsc3n2)nc2cc(C(=O)OC)ccc2c1=O,0,0.0,
+CCCCn1c(SCc2ccc(C(=O)OC)o2)nc2cc(S(N)(=O)=O)ccc21,0,0.0,
+CCCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCCn1c(SCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCc2ncc(-c3ccccc3)o2)nc2cc(S(N)(=O)=O)ccc21,0,0.0,
+CCCCn1c(SCc2nnc(-c3ccccc3)o2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1c(SCn2nnc3ccccc3c2=O)nc2cc(C(=O)OC)ccc2c1=O,0,0.0,
+CCCCn1c2c(c(=N)c3c1CCC3)CCC2,0,0.0,
+CCCCn1c2c(c(=O)n(C)c1=O)C(CC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2,0,0.0,
+CCCCn1c2c(c(=O)n(C)c1=O)C(c1ccc(OC)cc1)N1CCCCCC1=N2,0,0.0,
+CCCCn1c2c(c3ccccc31)CCc1nonc1-2,0,0.0,
+CCCCn1c2nc3ccccc3nc2c2c(=N)oc(C)nc21,0,0.0,
+CCCCn1c2nc3ccccc3nc2c2c(=O)n(C(C)CC)cnc21,0,0.0,
+CCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21,0,0.0,
+CCCCn1c2nc3ccccc3nc2c2c(=O)n(CCC(C)C)cnc21,0,0.0,
+CCCCn1c2nc3ccccc3nc2c2c(=O)n(CCC)cnc21,0,0.0,
+CCCCn1cc(C(C)(C)C)c(C#N)c1NC(C)=O,0,0.0,
+CCCCn1cc(SCC(=O)O)c2ccccc21,1,100.0,
+CCCCn1ccc(=O)c2c(C(F)(F)F)nccc21,0,0.0,
+CCCCn1ccnc1C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1,0,0.0,
+CCCCn1ccnc1C(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1,0,0.0,
+CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2,0,0.0,
+CCCCn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,0,0.0,
+CCCCn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(C)c1C)c(=O)n2CC(C)C,0,0.0,
+CCCCn1cnc2cc(NCc3cccc(OC)c3O)ccc21,0,0.0,
+CCCCn1cnc2cc(NCc3ccncc3)ccc21,0,0.0,
+CCCCn1cnc2sc3c(c2c1=N)CCCC3,1,100.0,0.0
+CCCCn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O,0,0.0,
+CCCCn1nc(C(=O)NC2=NCCS2)c2ccccc2c1=O,0,0.0,
+CCCCn1nc(C(=O)O)ccc1=O,0,0.0,
+CCCCn1nc(CC(=O)O)c2ccccc2c1=O,0,0.0,
+CCCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc21,0,0.0,
+CCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21,0,0.0,
+CCCCn1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)n1,0,0.0,
+CCCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1,0,0.0,
+CCCCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1,0,0.0,
+CCCCn1nnc(NC(=O)c2cc3ccccc3o2)n1,0,0.0,
+CCCCn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1,0,0.0,
+CCCCn1nnc(NC(=O)c2ccco2)n1,0,0.0,
+CCCCn1nnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1,0,0.0,
+CCCCn1nnnc1NCc1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCCCn1nnnc1NCc1cc(OC)c(OC)cc1OC,0,0.0,
+CCCCn1nnnc1NCc1ccc(N2CCCC2)cc1,1,100.0,0.0
+CCCCn1nnnc1NCc1ccc(OC)c(OC)c1,0,0.0,
+CCCCn1nnnc1NCc1ccc(OC)c(OC)c1OC,0,0.0,
+CCCCn1nnnc1NCc1cccc(OC)c1OC,0,0.0,
+CCCCn1nnnc1NCc1cccnc1,0,0.0,
+CCCCn1nnnc1NCc1cccs1,0,0.0,
+CCCCn1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCCCn1nnnc1SCC(=O)Nc1ccc(C)cc1,0,0.0,
+CCCCn1nnnc1SCC(=O)Nc1ccc(F)cc1,0,0.0,
+CCCCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CCCCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+CCCCn1nnnc1SCC(=O)Nc1cccc(C)n1,0,0.0,
+CCCCn1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2,0,0.0,
+CCCCn1nnnc1SCC(=O)c1ccc(C)c(C)c1,0,0.0,
+CCCN(C#N)c1nc(NCC)nc(NC(C)C)n1,0,0.0,
+CCCN(C(=O)CSc1nnc(-c2ccoc2C)n1N)C1CCS(=O)(=O)C1,0,0.0,
+CCCN(C(=O)c1ccccc1N)c1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+CCCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1,0,0.0,
+CCCN(CC#CCO)CCC,0,0.0,
+CCCN(CC(=O)c1cc(C)n(C)c1C)S(=O)(=O)c1cccc(C(F)(F)F)c1,0,0.0,
+CCCN(CC1CC1)C(=O)Nc1ccccc1C,0,0.0,
+CCCN(CC1CC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1,0,0.0,
+CCCN(CCC(=O)Nc1cc(OC)cc(OC)c1)CC1CC1,0,0.0,
+CCCN(CCC(=O)Nc1ccccc1F)CC1CC1,0,0.0,
+CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,0,0.0,
+CCCN(CCC)C(=O)C1CCN(c2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)CC1,0,0.0,
+CCCN(CCC)C(=O)C1c2ccccc2Oc2ccccc21,0,0.0,
+CCCN(CCC)C(=O)CC(c1ccc(F)cc1)c1ccco1,0,0.0,
+CCCN(CCC)C(=O)CCS(=O)(=O)c1cccc2nsnc12,0,0.0,
+CCCN(CCC)C(=O)COc1cc(=O)n(CC)c2ccccc12,0,0.0,
+CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1,0,0.0,
+CCCN(CCC)C(=O)CSc1nc2n[nH]c(C)c2c(=N)n1-c1ccc(OC)cc1,0,0.0,
+CCCN(CCC)C(=O)CSc1nc2n[nH]c(C)c2c(=N)n1-c1ccc(OCC)cc1,0,0.0,
+CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1N,0,0.0,
+CCCN(CCC)C(=O)Cn1c(=O)n(CCCCC(=O)NC2CCCC2)c(=O)c2ccccc21,0,0.0,
+CCCN(CCC)C(=O)Cn1c(=O)n(CCCCC(=O)NCc2ccco2)c(=O)c2ccccc21,0,0.0,
+CCCN(CCC)C(=O)Cn1ccc(=N)c2ccccc21,0,0.0,
+CCCN(CCC)C(=O)c1c(C)[nH]c(C(=O)OCC)c1C,0,0.0,
+CCCN(CCC)C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S+]2[O-],0,0.0,
+CCCN(CCC)C(C(=O)Nc1cccc(OC)c1)c1ccccc1,0,0.0,
+CCCN(CCC)C1CC(=O)N(Cc2ccccc2)C1=O,0,0.0,
+CCCN(CCC)CCCNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1,0,0.0,
+CCCN(CCC)CCCNC(=O)CC1Nc2ccccc2NC1=O,0,0.0,
+CCCN(CCC)CCCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(OC)c(OC)c2)oc1C,0,0.0,
+CCCN(CCC)CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,1,100.0,1.0
+CCCN(CCC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1,1,100.0,1.0
+CCCN(CCC)CCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1[S+]2[O-],1,100.0,1.0
+CCCN(CCC)CCCNC(=O)c1cn(CCOC)c(=O)c2c1c1ccccc1n2C,0,0.0,
+CCCN(CCC)CCCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2,0,0.0,
+CCCN(CCC)CCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+CCCN(CCC)CCNC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1,0,0.0,
+CCCN(CCC)CCNC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1,0,0.0,
+CCCN(CCC)CCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1,0,0.0,
+CCCN(CCC)CCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(C)cc2)oc1C,0,0.0,
+CCCN(CCC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O,0,0.0,
+CCCN(CCC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,0,0.0,
+CCCN(CCC)CCNC(=O)c1cc2c(C)nc3ccccc3c2o1,0,0.0,
+CCCN(CCC)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+CCCN(CCC)CCNc1c(N2CCN(C(=O)OCC)CC2)c(=O)c1=O,0,0.0,
+CCCN(CCC)CCSc1nc(O)c(C(C)C)c(=O)[nH]1,0,0.0,
+CCCN(CCC)Cc1c(C(=O)OCC)nnn1-c1nonc1N,0,0.0,
+CCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2,0,0.0,
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)c3ccccc32)cc1,1,100.0,
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1,0,0.0,
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(OC)c3)o2)cc1,0,0.0,
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1,0,0.0,
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,0,0.0,
+CCCN(CCC)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+CCCN(CCC)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O,0,0.0,
+CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1,0,0.0,
+CCCN(CCC)c1nc(C)cc(C(C#N)c2nc3ccccc3o2)n1,0,0.0,
+CCCN(CCC)c1nc(NC2CCN(C(=O)OCC)CC2)nc(OC)n1,0,0.0,
+CCCN(CCC)c1nc2ccccc2n2c(C)nnc12,0,0.0,
+CCCN(CCC)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)COC,0,0.0,
+CCCN(CCC)c1nc2ccccc2nc1C(C#N)C(=O)OCCOC,0,0.0,
+CCCN(CCC)c1ncnc2c1cnn2-c1ccc(OC)cc1,0,0.0,
+CCCN(CCC)c1ncnc2nc[nH]c12,0,0.0,
+CCCN(CCO)Cc1ccc(Cl)c(Cl)c1,0,0.0,
+CCCN(CCO)Cc1ccc(F)c(Br)c1,0,0.0,
+CCCN(CCO)Cc1cccc(Br)c1,0,0.0,
+CCCN(CCO)Cc1cccc(Cl)c1,1,100.0,0.0
+CCCN(CCO)Cc1cccc(Oc2ccccc2)c1,0,0.0,
+CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(OC)c1,0,0.0,
+CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccncc1,0,0.0,
+CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccn1,0,0.0,
+CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccnc1,0,0.0,
+CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc(OC)c1,0,0.0,
+CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1,0,0.0,
+CCCN(S(=O)(=O)c1ccc(OCC)cc1)S(=O)(=O)c1cccs1,0,0.0,
+CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,0,0.0,
+CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)noc1C,0,0.0,
+CCCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O,0,0.0,
+CCCN(c1ccc(OCC)cc1)c1ncnc2nc[nH]c12,0,0.0,
+CCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1,0,0.0,
+CCCN1/C(=C(/C#N)C2=NS(=O)(=O)c3ccccc32)N(C)c2ccccc21,0,0.0,
+CCCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21,0,0.0,
+CCCN1C(=O)C(NC(=O)c2ccncc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O,0,0.0,
+CCCN1C(=O)C(NC(C)=O)c2cc(OC)ccc21,0,0.0,
+CCCN1C(=O)C(NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)C(C(=O)OC)=C1C,0,0.0,
+CCCN1C(=O)C(O)(C/C(C)=N/O)c2ccccc21,0,0.0,
+CCCN1C(=O)C(O)(C2CC(=O)CC(C)(C)O2)c2ccccc21,0,0.0,
+CCCN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21,0,0.0,
+CCCN1C(=O)C2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c2ccccc21,0,0.0,
+CCCN1C(=O)C2(C(C#N)=C(N)C(C#N)(C#N)C3=CCC(C)CC32)c2ccccc21,0,0.0,
+CCCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21,0,0.0,
+CCCN1C(=O)C2C(C(=O)Nc3cccc(OC)c3)C3C=CC2(O3)C1C(=O)NC1CCCCC1,0,0.0,
+CCCN1C(=O)CC(c2ccco2)Sc2ccccc21,0,0.0,
+CCCN1C(=O)NC2(O)C(=O)c3ccccc3C12O,0,0.0,
+CCCN1C(=O)SC(CC(=O)Nc2ccc(Br)cc2)C1=O,0,0.0,
+CCCN1C(=O)SC(CC(=O)Nc2ccccc2)C1=O,0,0.0,
+CCCN1C(=O)c2cc(C(=O)NC3CCCC3)ccc2C1O,0,0.0,
+CCCN1C(=O)c2cc(C(=O)NC3CCCCCC3)ccc2C1O,0,0.0,
+CCCN1C(=O)c2cc(C(=O)NCCc3cccc(C)c3)ccc2C1O,0,0.0,
+CCCN1C(=O)c2cc(C(=O)NCc3ccc(OC)cc3)ccc2C1O,0,0.0,
+CCCN1C(=O)c2cc(C(=O)NCc3cccs3)ccc2C1O,0,0.0,
+CCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2C1O,0,0.0,
+CCCN1C(=O)c2cc(C(=O)O)ccc2C1O,0,0.0,
+CCCN1C(=O)c2ccc(C(=O)NC3=NCCS3)cc2C1=O,0,0.0,
+CCCN1C(=O)c2ccc(C(=O)NC3CCCCC3)cc2C1=O,0,0.0,
+CCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O,0,0.0,
+CCCN1C(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2C1=O,0,0.0,
+CCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O,0,0.0,
+CCCN1C(=O)c2ccccc2NC1c1ccc(OC)cc1O,0,0.0,
+CCCN1C(=O)c2ccccc2NC1c1ccc(OC)cc1OC,0,0.0,
+CCCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Br)c2)C2=C1CCCC2=O,0,0.0,
+CCCN1C2=NCCN2c2cc(C)c(C)cc21,0,0.0,
+CCCN1C2=NCCN2c2ccccc21,0,0.0,
+CCCN1C2=NS(=O)(=O)CCN2c2ccccc21,0,0.0,
+CCCN1C2CCCC1CC(NC(=O)NC1CCCCC1)C2,0,0.0,
+CCCN1C2CCCC1CC(NC(=O)Nc1cccc(C(C)=O)c1)C2,0,0.0,
+CCCN1C2CCCC1CC(NC(=O)c1cc(OC)c(OC)c(OC)c1)C2,0,0.0,
+CCCN1C2CCCC1CC(NC(=O)c1ccc(F)cc1)C2,0,0.0,
+CCCN1C2CCCC1CC(NC(=O)c1ccccc1)C2,0,0.0,
+CCCN1C2CCCC1CC(NC(=O)c1ccccc1F)C2,1,100.0,0.0
+CCCN1C2CCCC1CC(NC(=O)c1ccccc1OCC)C2,1,100.0,1.0
+CCCN1C2CCCC1CC(NC(C)=O)C2,0,0.0,
+CCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1,0,0.0,
+CCCN1CC23C=CC(O2)C(C(=O)O)C3C1=O,0,0.0,
+CCCN1CC2CCCC3(C1)C(=O)NC1(CCCCC1)N=C23,0,0.0,
+CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cc(OC)ccc3OC)C2C1,1,100.0,
+CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccc(OC)c3OC)C2C1,0,0.0,
+CCCN1CCC(N(C)CCc2ccc(OC)c(OC)c2)CC1,0,0.0,
+CCCN1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1,0,0.0,
+CCCN1CCC(NC(=O)CC#N)CC1,0,0.0,
+CCCN1CCC(NC(=O)Nc2ccc(F)cc2F)CC1,0,0.0,
+CCCN1CCC(NC(=O)Nc2ccc(OC)c(OC)c2)CC1,0,0.0,
+CCCN1CCC2(CC1)NC(CO)(CO)CO2,0,0.0,
+CCCN1CCCc2cc(CN)ccc21,0,0.0,
+CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)CC1,0,0.0,
+CCCN1CCN(C(=O)CCCNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1,0,0.0,
+CCCN1CCN(C(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1,0,0.0,
+CCCN1CCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1,0,0.0,
+CCCN1CCN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccccc4)ccc32)CC1,0,0.0,
+CCCN1CCN(C(=O)Cn2cccc2C(=O)c2ccccc2)CC1,0,0.0,
+CCCN1CCN(C(=O)Cn2ncc3ccccc32)CC1,0,0.0,
+CCCN1CCN(C(=O)c2cccc3c2C(=O)N(CCOC)C3)CC1,0,0.0,
+CCCN1CCN(C(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23)CC1,0,0.0,
+CCCN1CCN(C(c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1,0,0.0,
+CCCN1CCN(C(c2cc3cc(OCC)ccc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1,0,0.0,
+CCCN1CCN(C(c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C(C)(C)C)CC1,0,0.0,
+CCCN1CCN(CCCNC(=O)C2CCCN(c3nc4ccc(OCC)cc4s3)C2)CC1,0,0.0,
+CCCN1CCN(CCCNC(=O)C2CCCN(c3nnc(-n4cccc4)s3)C2)CC1,0,0.0,
+CCCN1CCN(CCCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1,0,0.0,
+CCCN1CCN(CCCNC(=O)CN2C(=O)COc3ccccc32)CC1,0,0.0,
+CCCN1CCN(CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1,0,0.0,
+CCCN1CCN(CCCNC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)CC1,0,0.0,
+CCCN1CCN(CCCNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1,0,0.0,
+CCCN1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1,0,0.0,
+CCCN1CCN(CCCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1,0,0.0,
+CCCN1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,1,100.0,0.0
+CCCN1CCN(c2nc3c([nH]2)c(=N)ncn3CC(O)CO)CC1,0,0.0,
+CCCN1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1,0,0.0,
+CCCN1CN(Cc2ccccc2)CC2=C1CC(C)(C)CC2=O,0,0.0,
+CCCN1CN(Cc2ccco2)c2nc3ccccc3n2C1,0,0.0,
+CCCN1Cc2cccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2C1=O,0,0.0,
+CCCN1Cc2cccc(C(=O)NC3CCCC3)c2C1=O,0,0.0,
+CCCN1Cc2cccc(C(=O)NCCCOC(C)C)c2C1=O,0,0.0,
+CCCN1Cc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2C1=O,0,0.0,
+CCCN1Cc2cccc(C(=O)NCc3ccccc3)c2C1=O,0,0.0,
+CCCN1Cc2cccc(C(=O)NCc3cccs3)c2C1=O,0,0.0,
+CCCN1Cc2cccc(C(=O)Nc3cc(OC)cc(OC)c3)c2C1=O,0,0.0,
+CCCN1Cc2cccc(C(=O)Nc3ccc(N4CCN(CC)CC4)cc3)c2C1=O,1,100.0,1.0
+CCCN1Cc2cccc(C(=O)Nc3ccc(OC)c(OC)c3)c2C1=O,0,0.0,
+CCCN1Cc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2C1=O,0,0.0,
+CCCN1Cc2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2C1=O,0,0.0,
+CCCN1Cc2cccc(C(N)=O)c2C1=O,0,0.0,
+CCCN1c2cccc3cccc(c23)S1(=O)=O,0,0.0,
+CCCN=C(N)/C(C(=O)OCC)=C(\O)c1ccc(OC)cc1,0,0.0,
+CCCN=Cc1sc2ccc(OCC)cc2c1O,0,0.0,
+CCCNC(=O)C(CC)NS(=O)(=O)c1ccc(OC)cc1,0,0.0,
+CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,0,0.0,
+CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12,0,0.0,
+CCCNC(=O)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,0,0.0,
+CCCNC(=O)C1=C(C)C(=O)OC12CCC(C)CC2,1,100.0,0.0
+CCCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)C1,0,0.0,
+CCCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)C1,0,0.0,
+CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,0,0.0,
+CCCNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)O)c3c2)CCCCC4)CC1,0,0.0,
+CCCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1,0,0.0,
+CCCNC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,0,0.0,
+CCCNC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1,0,0.0,
+CCCNC(=O)CC1Sc2ccccc2NC1=O,0,0.0,
+CCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C)cc2)n1C,0,0.0,
+CCCNC(=O)CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCC,0,0.0,
+CCCNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1,0,0.0,
+CCCNC(=O)CN(C)C(=O)c1n[nH]c2ccccc12,0,0.0,
+CCCNC(=O)CN(C1CCCCC1)S(C)(=O)=O,0,0.0,
+CCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O,0,0.0,
+CCCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+CCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C,0,0.0,
+CCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C,0,0.0,
+CCCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(OC)cc2)oc1C,0,0.0,
+CCCNC(=O)C[S+]([O-])Cc1nc(-c2cccc(OC)c2)oc1C,0,0.0,
+CCCNC(=O)C[S+]([O-])Cc1nc(-c2ccccc2C)oc1C,0,0.0,
+CCCNC(=O)CSc1nnc(-c2ccco2)n1C,0,0.0,
+CCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1,0,0.0,
+CCCNC(=O)Cc1ncn[nH]1,0,0.0,
+CCCNC(=O)Cn1cccc1C(=O)c1ccccc1,0,0.0,
+CCCNC(=O)Cn1cnc2sc(C(=O)N3CCCC(C(=O)OCC)C3)c(C)c2c1=O,0,0.0,
+CCCNC(=O)Cn1cnc2sc(C(=O)N3CCN(CCC)CC3)c(C)c2c1=O,0,0.0,
+CCCNC(=O)Cn1cnc2sc(C(=O)NCCN(CC)CC)c(C)c2c1=O,0,0.0,
+CCCNC(=O)N(C)c1nncnc1C(=O)NC,0,0.0,
+CCCNC(=O)N1C2CCC1CC(O)(c1cccnc1)C2,0,0.0,
+CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1,0,0.0,
+CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1,0,0.0,
+CCCNC(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)CC1,0,0.0,
+CCCNC(=O)N1CCN(c2ncccn2)CC1,0,0.0,
+CCCNC(=O)NC(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O,0,0.0,
+CCCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1,0,0.0,
+CCCNC(=O)NC(=O)CSc1nc2ccccc2n1CC(C)C,0,0.0,
+CCCNC(=O)NC(=O)CSc1ncc(C(F)(F)F)cc1Cl,0,0.0,
+CCCNC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1CC,0,0.0,
+CCCNC(=O)NC(C(=O)OC)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CCCNC(=O)NC1C(NC(=O)NCCC)N(C)C(=O)N1C,0,0.0,
+CCCNC(=O)NCCc1c(C)[nH]c2ccccc12,0,0.0,
+CCCNC(=O)NCCc1ccncc1,0,0.0,
+CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CCCNC(=O)Nc1cc(C)on1,0,0.0,
+CCCNC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1,0,0.0,
+CCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C,0,0.0,
+CCCNC(=O)c1c(C)cc(=O)oc1C,0,0.0,
+CCCNC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc12,0,0.0,
+CCCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12,0,0.0,
+CCCNC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12,0,0.0,
+CCCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12,0,0.0,
+CCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12,0,0.0,
+CCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(OCC)cc3)cc2c1=O,0,0.0,
+CCCNC(=O)c1cc(-c2ccc(Br)cc2)on1,0,0.0,
+CCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,0,0.0,
+CCCNC(=O)c1cc(-c2ccc(OC)cc2)on1,0,0.0,
+CCCNC(=O)c1cc(-c2ccco2)on1,0,0.0,
+CCCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F,0,0.0,
+CCCNC(=O)c1cc(SC)ccc1Cl,0,0.0,
+CCCNC(=O)c1ccc(CNc2c(N3CCC(C(=O)OCC)CC3)c(=O)c2=O)cc1,0,0.0,
+CCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1OC,0,0.0,
+CCCNC(=O)c1cccc(COCC(F)(F)C(F)F)c1,0,0.0,
+CCCNC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1,0,0.0,
+CCCNC(=O)c1ccccc1C(=O)NCCC,0,0.0,
+CCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OCC)S(C)(=O)=O,0,0.0,
+CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1,0,0.0,
+CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CCCNC(=O)c1n[nH]c(=O)c2ccccc12,0,0.0,
+CCCNC(=O)c1nc2ncc(Br)cn2n1,0,0.0,
+CCCNC(=O)c1noc2c1CCc1ccccc1-2,0,0.0,
+CCCNC1=C(C)C(=O)CC1,0,0.0,
+CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,0,0.0,
+CCCNCc1cc(OCC)c(OCC(N)=O)cc1Br,0,0.0,
+CCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2,0,0.0,
+CCCNS(=O)(=O)c1ccc(C(=O)NCC2CCCO2)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C)CC2)cc1,1,100.0,0.0
+CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(=O)OCC)CC2)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOC)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1,0,0.0,
+CCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O,0,0.0,
+CCCNS(=O)(=O)c1cccc2cccnc12,0,0.0,
+CCCNc1cc(=O)n(C)c(=O)n1C,0,0.0,
+CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,0,0.0,
+CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1,0,0.0,
+CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1,0,0.0,
+CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C,0,0.0,
+CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1,0,0.0,
+CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1,0,0.0,
+CCCNc1ncccc1C(N)=O,0,0.0,
+CCCNc1ncnc2c1cnn2-c1ccc(OC)cc1,0,0.0,
+CCCNc1ncnc2nc[nH]c12,0,0.0,
+CCCNc1oc(-c2cccc3ccccc23)nc1C#N,0,0.0,
+CCCOC(=O)/C(C(N)=NCc1ccccc1)=C(\O)OCCC,0,0.0,
+CCCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(N(C)C)cc1,0,0.0,
+CCCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(N(CC)CC)cc1,0,0.0,
+CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(N(C)C)cc1,0,0.0,
+CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc(OC)ccc1OC,0,0.0,
+CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1,1,100.0,1.0
+CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(OC)c1OC,0,0.0,
+CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccs1,0,0.0,
+CCCOC(=O)C1C2C=CC3(CN(c4ccc(Cl)c(F)c4)C(=O)C13)O2,0,0.0,
+CCCOC(=O)C1C2C=CC3(CN(c4cccc(Cl)c4)C(=O)C13)O2,0,0.0,
+CCCOC(=O)C1[C@H]2C(=O)N(C(C)c3ccc(OC)cc3)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCOC(=O)C1[C@H]2C(=O)N(CC3CCCO3)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCOC(=O)C1[C@H]2C(=O)N(CCCOC)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCOC(=O)C1[C@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCOC(=O)C1[C@H]2C(=O)N(Cc3ccco3)C[C@]23C=C[C@H]1O3,0,0.0,
+CCCOC(=O)CC1C(=O)NCCN1Cc1ccc(F)cc1,0,0.0,
+CCCOC(=O)CC1C(=O)NCCN1Cc1ccccc1C,0,0.0,
+CCCOC(=O)CCCCC1SCC(NC(=O)OC)C1NC(=O)OC,0,0.0,
+CCCOC(=O)CCNc1n[nH]c(=O)[nH]c1=O,0,0.0,
+CCCOC(=O)CCc1n[nH]c(=O)[nH]c1=O,0,0.0,
+CCCOC(=O)CCn1c(=S)oc2ccccc21,0,0.0,
+CCCOC(=O)CN1C(=O)c2ccc(C(=O)OCCC)cc2C1=O,0,0.0,
+CCCOC(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+CCCOC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3,0,0.0,
+CCCOC(=O)CSC1=C(C#N)C(c2ccc3c(c2)OCO3)CC(=O)N1,0,0.0,
+CCCOC(=O)CSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1,0,0.0,
+CCCOC(=O)CSC1=C(C#N)C(c2ccccc2OC)C(C#N)C(=O)N1,0,0.0,
+CCCOC(=O)CSC1=C(C#N)C(c2ccccc2OCC)C(C#N)C(=O)N1,0,0.0,
+CCCOC(=O)CSc1nc(N)c(C#N)c(CC)c1C#N,0,0.0,
+CCCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1,0,0.0,
+CCCOC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1,0,0.0,
+CCCOC(=O)CSc1nnc(-c2ccccc2Cl)o1,0,0.0,
+CCCOC(=O)Cc1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCCOC(=O)Cc1n[nH]c(=O)[nH]c1=O,0,0.0,
+CCCOC(=O)Cn1c(=O)c2cc3c(=O)n(CC(=O)OCCC)c(=O)c3cc2c1=O,0,0.0,
+CCCOC(=O)NC(CC)COC(=O)Nc1cc(C)ccc1C,0,0.0,
+CCCOC(=O)NC(CC)COC(=O)Nc1cccc(C)c1C,0,0.0,
+CCCOC(=O)NC1C(NC(=O)OCCC)N(C)C(=O)N1C,0,0.0,
+CCCOC(=O)Nc1cc(OC)c(Cl)cc1OC,0,0.0,
+CCCOC(=O)Nc1ccc(C(N)=O)cc1,0,0.0,
+CCCOC(=O)Nc1ccc(N2CCCCC2)cc1,0,0.0,
+CCCOC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1,0,0.0,
+CCCOC(=O)Nc1ccccc1C(N)=O,0,0.0,
+CCCOC(=O)Nc1nc2ccccc2o1,0,0.0,
+CCCOC(=O)Nc1sc2c(c1C(=O)OCC)CCC2,0,0.0,
+CCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2,0,0.0,
+CCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(OC)c(OC)c1)C2,0,0.0,
+CCCOC(=O)c1c(N)sc2c1CCC2,0,0.0,
+CCCOC(=O)c1cc(=O)[nH]c2ccccc12,0,0.0,
+CCCOC(=O)c1cc2ccccc2oc1=O,0,0.0,
+CCCOC(=O)c1ccc(-c2c(C)noc2-c2ccc(OC)cc2O)o1,0,0.0,
+CCCOC(=O)c1ccc(NC(=O)C2C3C=CC(O3)C2C(=O)O)cc1,0,0.0,
+CCCOC(=O)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC)cc1,0,0.0,
+CCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1,0,0.0,
+CCCOC(=O)c1ccc(NC(=O)c2cnccn2)cc1,0,0.0,
+CCCOC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1,0,0.0,
+CCCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1,0,0.0,
+CCCOC(=O)c1ccc(OC(=O)c2ccco2)cc1,0,0.0,
+CCCOC(=O)c1ccc(OCC(O)CN2CCN(C(=O)c3ccccc3)CC2)cc1,1,100.0,0.0
+CCCOC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1,0,0.0,
+CCCOC(=O)c1ccc(Oc2c(-c3ccc(O)cc3O)n[nH]c2C)cc1,0,0.0,
+CCCOC(=O)c1ccc(Oc2c(-c3ccc(OC)cc3O)n[nH]c2C)cc1,0,0.0,
+CCCOC(=O)c1ccc(Oc2c(-c3ccc(OCC)cc3O)n[nH]c2C)cc1,0,0.0,
+CCCOC(=O)c1ccc(Oc2cn[nH]c2-c2ccc(OC)cc2O)cc1,0,0.0,
+CCCOC(=O)c1ccc(Oc2cn[nH]c2-c2ccc(OCC)cc2O)cc1,0,0.0,
+CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O,0,0.0,
+CCCOC(=O)c1cccc(NC(=O)C(C)(C)C)c1,0,0.0,
+CCCOC(=O)c1cccc(NC(=O)c2cccnc2)c1,0,0.0,
+CCCOC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3,0,0.0,
+CCCOC1(NC(=O)c2ccccc2)C(C)=CC(=O)C=C1C,0,0.0,
+CCCOC1CCCN(C(=O)c2cc(Cl)c(Cl)cc2C(=O)O)C1,1,100.0,
+CCCOCC(O)COc1ccccc1C(=O)N1CCOCC1,0,0.0,
+CCCOCC1CC2(SC(=Nc3ccc(C)cc3)NC2=O)C(=O)O1,0,0.0,
+CCCOCCOC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)c(O)c(OC)c1,0,0.0,
+CCCOCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)ccc1OC)C2,0,0.0,
+CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1OC,0,0.0,
+CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccncc1,0,0.0,
+CCCOc1c(Br)cc(C(=O)NCC)cc1OC,0,0.0,
+CCCOc1c(OC)cccc1C1CC(=O)Nc2cc(OC)c(OC)c(OC)c21,0,0.0,
+CCCOc1c(OC)cccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,0,0.0,
+CCCOc1c(OC)cccc1C1CC(=O)Nc2cc3c(cc21)OCO3,0,0.0,
+CCCOc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1C,0,0.0,
+CCCOc1cc(C)c(S(=O)(=O)NCCOC)cc1C,0,0.0,
+CCCOc1cc(C)c(S(=O)(=O)n2ccc(C)n2)cc1C,0,0.0,
+CCCOc1cc(CC(=O)NCc2ccco2)ccc1OC,0,0.0,
+CCCOc1cc(CN2CCCCC2)cc(C(C)=O)c1,0,0.0,
+CCCOc1ccc(-c2cnc(SCC(N)=O)nc2N)cc1,0,0.0,
+CCCOc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)cc1,0,0.0,
+CCCOc1ccc(-c2nc(C#N)c(N3CCN(CC)CC3)o2)cc1,0,0.0,
+CCCOc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+CCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1,1,100.0,0.0
+CCCOc1ccc(-c2nnc(N)s2)cc1,0,0.0,
+CCCOc1ccc(-c2nnn(CC(=O)Nc3cccc(C(=O)OC)c3)n2)cc1,0,0.0,
+CCCOc1ccc(-c2nnn(CC(=O)OCC)n2)cc1,0,0.0,
+CCCOc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccncc2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)C2c2cccnc2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)C2c2ccncc2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2cccs2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(O)c(OC)c2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccco2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccncc2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(CC)CC)C2c2ccncc2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccc2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2cccnc2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)C2c2ccc(C(=O)OC)cc2)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C23C(=O)N(C)c2ccccc23)cc1,0,0.0,
+CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCOC)C23C(=O)N(C)c2ccccc23)cc1,0,0.0,
+CCCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC,0,0.0,
+CCCOc1ccc(C(=O)C(c2ccccc2)N2CCOCC2)cc1,0,0.0,
+CCCOc1ccc(C(=O)CCN2CCCCC2)cc1,0,0.0,
+CCCOc1ccc(C(=O)N2CCCC2)cc1OC,0,0.0,
+CCCOc1ccc(C(=O)N2CCCC2C(=O)O)cc1,0,0.0,
+CCCOc1ccc(C(=O)N2CCCc3ccccc32)cc1,0,0.0,
+CCCOc1ccc(C(=O)N2CCN(c3ccc(N)cc3Cl)CC2)cc1,0,0.0,
+CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CC)cc3Cl)CC2)cc1,0,0.0,
+CCCOc1ccc(C(=O)NCCC(=O)NCCCC(=O)OCC)cc1,0,0.0,
+CCCOc1ccc(C(=O)NCCCn2ccnc2)cc1,0,0.0,
+CCCOc1ccc(C(=O)NCc2cccnc2)cc1,0,0.0,
+CCCOc1ccc(C(=O)NCc2ccco2)cc1,0,0.0,
+CCCOc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1,0,0.0,
+CCCOc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1,0,0.0,
+CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1,0,0.0,
+CCCOc1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1,0,0.0,
+CCCOc1ccc(C(=O)c2nc3c(n2O)CCCC3)cc1,0,0.0,
+CCCOc1ccc(C(C)(O)CN2CCOCC2)cc1,0,0.0,
+CCCOc1ccc(C(C)=O)cc1CSCCC#N,0,0.0,
+CCCOc1ccc(C(CC(=O)O)NC(=O)c2ccc3c(c2)OCO3)cc1,0,0.0,
+CCCOc1ccc(C(CC(=O)O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,0,0.0,
+CCCOc1ccc(C2(C(=O)O)CCCC2)cc1,0,0.0,
+CCCOc1ccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1,0,0.0,
+CCCOc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1OC,0,0.0,
+CCCOc1ccc(C2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1,0,0.0,
+CCCOc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CC2)cc1OC,0,0.0,
+CCCOc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2CCC)cc1OC,0,0.0,
+CCCOc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2CCCOCC)cc1OC,0,0.0,
+CCCOc1ccc(C2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1OC,0,0.0,
+CCCOc1ccc(C2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OCC,0,0.0,
+CCCOc1ccc(C2C(C(=O)OC)=CN(CCOC)C=C2C(=O)OC)cc1,0,0.0,
+CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCn2ccnc2)cc1,0,0.0,
+CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC,0,0.0,
+CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1,0,0.0,
+CCCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1,0,0.0,
+CCCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC,0,0.0,
+CCCOc1ccc(C2NC(=O)NC2=O)cc1,0,0.0,
+CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1,0,0.0,
+CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC,0,0.0,
+CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,0,0.0,
+CCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,0,0.0,
+CCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)cc1OC,0,0.0,
+CCCOc1ccc(CC(=O)NCc2ccco2)cc1OC,0,0.0,
+CCCOc1ccc(CC(CC(=O)O)(C(=O)O)C(=O)O)cc1,0,0.0,
+CCCOc1ccc(CCN2CCC(=O)NC2=O)cc1C,0,0.0,
+CCCOc1ccc(CN(CCO)CCO)cc1C(=O)OC,0,0.0,
+CCCOc1ccc(CSC(CC(=O)O)C(=O)O)cc1,0,0.0,
+CCCOc1ccc(CSc2ncn[nH]2)cc1,0,0.0,
+CCCOc1ccc(CSc2nnc(CCC)n2N)cc1,0,0.0,
+CCCOc1ccc(Cc2nc(N)nc(N)n2)cc1,0,0.0,
+CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccco4)sc3nc2=O)cc1,0,0.0,
+CCCOc1ccc(Cc2nn[nH]n2)cc1,0,0.0,
+CCCOc1ccc(Cl)cc1CN1CCOCC1,0,0.0,
+CCCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1OC,0,0.0,
+CCCOc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1,0,0.0,
+CCCOc1ccc(Cn2cnc3ccccc32)cc1,0,0.0,
+CCCOc1ccc(N)cc1N,0,0.0,
+CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccc(O)c(OC)c4)C3C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(N(CCC)C(=O)CCC(=O)O)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(N(Cc3ccc(S(N)(=O)=O)cc3)C(=O)CC)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(N3CCC(C(=O)OCC)CC3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(N3CCC(c4nncn4CC)CC3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(N3CCCC(C(=O)N4CCCC4)C3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4OC)CC3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(N3CCN(c4nc5ccccc5s4)CC3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(NCCCN3CCC(C(N)=O)CC3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(NCCNc3ccc(S(=O)(=O)CC)cc3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(NCc3ccncc3)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2C(=O)CC(SCCN)C2=O)cc1,0,0.0,
+CCCOc1ccc(N2CC(C(=O)NC(C)C)CC2=O)cc1,0,0.0,
+CCCOc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1,0,0.0,
+CCCOc1ccc(N2CC(C(=O)Nc3ccccc3F)CC2=O)cc1,0,0.0,
+CCCOc1ccc(N2CC(C(=O)Nc3ccccc3OC)CC2=O)cc1,0,0.0,
+CCCOc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1,0,0.0,
+CCCOc1ccc(N2CC(C(=O)Nc3ncccc3C)CC2=O)cc1,0,0.0,
+CCCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,0,0.0,
+CCCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1,0,0.0,
+CCCOc1ccc(NC(=O)C2CCCNC2=O)cc1,0,0.0,
+CCCOc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1,0,0.0,
+CCCOc1ccc(NC(N)=O)cc1OCCC,0,0.0,
+CCCOc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1,0,0.0,
+CCCOc1ccc(OC(=O)c2ccc(Br)o2)cc1,0,0.0,
+CCCOc1ccc(OCCSc2ncccn2)cc1,0,0.0,
+CCCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12,0,0.0,
+CCCOc1ccc(S(=O)(=O)NCCN2CCOCC2)c2ccccc12,0,0.0,
+CCCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1,0,0.0,
+CCCOc1ccc(S(=O)(=O)n2cc(Br)c(=O)[nH]c2=O)cc1,0,0.0,
+CCCOc1ccc([C@@H]2C3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC,0,0.0,
+CCCOc1ccc2[nH]cc(C(=O)O)c(=O)c2c1,0,0.0,
+CCCOc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1,0,0.0,
+CCCOc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0.0,
+CCCOc1ccc2c3c(c(=O)oc2c1OCCC)CCC3,0,0.0,
+CCCOc1ccc2ccccc2c1/C=N/n1c(C)nnc1-n1nc(C)cc1C,0,0.0,
+CCCOc1ccc2ccccc2c1/C=N/n1cnnc1,0,0.0,
+CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1,0,0.0,
+CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN(C)Cc1ccccc1,1,100.0,1.0
+CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCCC(C(=O)OCC)C1,1,100.0,1.0
+CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(c2ncccn2)CC1,0,0.0,
+CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCc2ccccc2C1,0,0.0,
+CCCOc1cccc(-c2nnc(N)s2)c1,0,0.0,
+CCCOc1cccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)c1,0,0.0,
+CCCOc1cccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1,0,0.0,
+CCCOc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1,0,0.0,
+CCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1,0,0.0,
+CCCOc1cccc(C(=O)Nc2cccnc2)c1,0,0.0,
+CCCOc1cccc(C(=O)Nc2nnn(CCC)n2)c1,0,0.0,
+CCCOc1cccc(C(=O)O)c1,0,0.0,
+CCCOc1cccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1,0,0.0,
+CCCOc1cccc(C2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)c1,0,0.0,
+CCCOc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)c1,0,0.0,
+CCCOc1cccc(C2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1,0,0.0,
+CCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1,0,0.0,
+CCCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(CC)CC)c1,0,0.0,
+CCCOc1cccc(CN2CCCCC2c2cccnc2)c1,0,0.0,
+CCCOc1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1,0,0.0,
+CCCOc1cccc(NC(=O)c2cc(C)oc2C)c1,0,0.0,
+CCCOc1cccc(OCCSc2nc(C)cc(=O)[nH]2)c1,0,0.0,
+CCCOc1ccccc1-c1nc(SCCC(=O)O)n[nH]1,0,0.0,
+CCCOc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c(=O)n2C,0,0.0,
+CCCOc1ccccc1C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,0.0,
+CCCOc1ccccc1C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1,0,0.0,
+CCCOc1ccccc1C(=O)NCCCC(=O)O,0,0.0,
+CCCOc1ccccc1C1C(C(=O)OC)=CN(C(C)C)C=C1C(=O)OC,0,0.0,
+CCCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C,0,0.0,
+CCCOc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2,0,0.0,
+CCCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,0,0.0,
+CCCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3,0,0.0,
+CCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOC,0,0.0,
+CCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOC(C)C,0,0.0,
+CCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOCC,0,0.0,
+CCCOc1ccccc1C1SCC(=O)Nc2c1c(=O)[nH]n2C(C)CCC,0,0.0,
+CCCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21,0,0.0,
+CCCOc1ccccc1N1C(=O)CC(N2CCOCC2)C1=O,0,0.0,
+CCCOc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O,0,0.0,
+CCCOc1ccccc1NC(=O)c1c(-c2ccccc2)noc1C,0,0.0,
+CCCOc1ccccc1NC(=O)c1ccc(N)cc1,0,0.0,
+CCCOc1ccccc1Nc1nnc(C)c(=O)[nH]1,0,0.0,
+CCCOc1nc(N)c(C#N)c(-c2ccccc2F)c1C#N,0,0.0,
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CC,0,0.0,
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC,0,0.0,
+CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12,0,0.0,
+CCCOn1c(OCC(C)C)nc2ccccc2c1=O,0,0.0,
+CCCOn1nnnc1-c1ccccc1,0,0.0,
+CCCP(=O)(CC(=O)N(CC)CC)c1ccccc1,0,0.0,
+CCCS(=O)(=O)C(=C1NCCN1)S(=O)(=O)CCC,0,0.0,
+CCCS(=O)(=O)C(=C1NCCO1)S(=O)(=O)CCC,0,0.0,
+CCCS(=O)(=O)C(=C1Nc2ccccc2N1)S(=O)(=O)CCC,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)OCC)CC2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NC2CCC(C)CC2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NC2CCCC(C)C2C)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCCCN(C)Cc2ccccc2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCCCN(CC)c2cccc(C)c2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCC2=O)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCCCOC(C)C)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCCCOC)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCCCOCC)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCCN(CC)c2ccccc2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)CC1,1,100.0,1.0
+CCCS(=O)(=O)N1CCC(C(=O)NCCN2CCCC2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(C)cc2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(OC)c(OC)c2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCC(C(=O)c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)N2CCC(Cc3ccccc3)CC2)C1,1,100.0,0.0
+CCCS(=O)(=O)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(C(=O)OCC)CC2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccn3)CC2)C1,1,100.0,0.0
+CCCS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NC(C)c2ccc3c(c2)OCCO3)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NC2CCCC(C)C2C)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCC2CCCO2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)c2ccccc2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCCN(CC)c2cccc(C)c2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCCN(Cc2ccccc2)C(C)C)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2=O)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCN(c3ccccc3F)CC2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCCOC(C)C)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCCOCC)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCN(C)Cc2ccccc2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCN(CC)CC)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCN(CC)c2ccccc2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCN(Cc2ccccc2)C(C)C)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1,1,100.0,0.0
+CCCS(=O)(=O)N1CCCC(C(=O)NCCN2CCCCC2C)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCN2CCOCC2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(OC)c(OC)c2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCc2ccc(C)cc2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCc2ccc3c(c2)OCO3)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCc2cccnc2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1,0,0.0,
+CCCS(=O)(=O)N1CCCC(c2nc(-c3cccc(OC)c3)no2)C1,0,0.0,
+CCCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(CC2CC3C=CC2C3)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(CCCc2ccccc2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(Cc2ccccc2OCC)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(Cc2ccco2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(Cc2ccncc2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+CCCS(=O)(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+CCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1,0,0.0,
+CCCS(=O)(=O)N1CCn2c(nc3ccccc32)C1,0,0.0,
+CCCS(=O)(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O,0,0.0,
+CCCS(=O)(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O,0,0.0,
+CCCS(=O)(=O)NCCc1cc2ccc(C)cc2[nH]c1=O,0,0.0,
+CCCS(=O)(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O,0,0.0,
+CCCS(=O)(=O)NCc1ccc2c(c1)cc(C)n2C,0,0.0,
+CCCS(=O)(=O)NCc1cn2c(C)csc2n1,0,0.0,
+CCCS(=O)(=O)NCc1cn2cccc(C)c2n1,0,0.0,
+CCCS(=O)(=O)Nc1c(C(=O)O)[nH]c2ccccc12,0,0.0,
+CCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1OCCOC,0,0.0,
+CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(N)cccn2c1C(=O)c1ccc(F)cc1,0,0.0,
+CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(N)=O,0,0.0,
+CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(CC)ccn2c1C(=O)OC,0,0.0,
+CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cnccn2c1C(=O)c1ccc(F)cc1,0,0.0,
+CCCS(=O)(=O)c1cn2cccc(N)c2c1S(=O)(=O)CCC,0,0.0,
+CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCCC2)s1,0,0.0,
+CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCCN2CCOCC2)s1,0,0.0,
+CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCN2CCOCC2)s1,0,0.0,
+CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1,0,0.0,
+CCCS(=O)(=O)n1nc(-c2ccc(Br)cc2)cc1N,0,0.0,
+CCCS(=O)(=O)n1nc(-c2ccc(OC)cc2OC)cc1N,0,0.0,
+CCCSC1=C(C#N)C(c2cc(OC)ccc2OC)CC(=O)N1,0,0.0,
+CCCSC1=C(C#N)C(c2ccc(Cl)cc2Cl)CC(=O)N1,0,0.0,
+CCCSC1=C(C#N)C(c2ccc(O)c(OC)c2)CC(=O)N1,0,0.0,
+CCCSC1=C(C#N)C(c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CCCSC1=C(C#N)C(c2ccccc2C)C(C(=O)OC)C(=O)N1,0,0.0,
+CCCSC1=C(C#N)C(c2ccccc2C)CC(=O)N1,0,0.0,
+CCCSC1=C(C#N)C(c2ccccc2OCC)CC(=O)N1,0,0.0,
+CCCSC1=C(C#N)C2(CCCCC2)C(C#N)C(=O)N1,0,0.0,
+CCCSC1=N/C(=C\C=C\c2ccco2)C(=O)S1,0,0.0,
+CCCSC1=N/C(=C\c2ccsc2)C(=O)S1,0,0.0,
+CCCSCCCNC(=O)CC1Oc2ccccc2NC1=O,0,0.0,
+CCCSCCCNC(=O)Cn1cc2c(n1)CCC(C)C2,0,0.0,
+CCCSCCCNC(=O)Cn1cc2c(n1)CCCCC2,0,0.0,
+CCCSCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2,0,0.0,
+CCCSP1(=S)NCCCO1,0,0.0,
+CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1,0,0.0,
+CCCSc1n[nH]c(NC(C)=O)n1,0,0.0,
+CCCSc1nc(C)c(-c2csc(C(C#N)=C3CCCC3)n2)cc1C#N,0,0.0,
+CCCSc1nc(C)c(CC(=O)O)c(=O)[nH]1,0,0.0,
+CCCSc1nc(C)c(CC(=O)OCC)c(=O)[nH]1,0,0.0,
+CCCSc1nc(C)cc(=O)[nH]1,0,0.0,
+CCCSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N,0,0.0,
+CCCSc1nc(N)c2c3c(sc2n1)CN(C)CC3,1,100.0,1.0
+CCCSc1nc(N)cc(=O)[nH]1,0,0.0,
+CCCSc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2,0,0.0,
+CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2,0,0.0,
+CCCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1C,0,0.0,
+CCCSc1nc(O)c(CC)c(=O)n1C(C)CC,0,0.0,
+CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C,0,0.0,
+CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1,0,0.0,
+CCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1,0,0.0,
+CCCSc1nc2c(c(=O)n1-c1ccc(OCC)cc1)SCC2,0,0.0,
+CCCSc1nc2c(c(=O)n1CC)SC(C)C2,0,0.0,
+CCCSc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1,0,0.0,
+CCCSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1,0,0.0,
+CCCSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1,0,0.0,
+CCCSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1,0,0.0,
+CCCSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1,0,0.0,
+CCCSc1ncnc2c1oc1ccccc12,0,0.0,
+CCCSc1nnc(-c2c[nH]c3ccccc23)n1C,0,0.0,
+CCCSc1nnc(-c2c[nH]c3ccccc23)n1CC,0,0.0,
+CCCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cc(OC)ccc1OC,0,0.0,
+CCCSc1nnc(-c2ccccc2N)c(=O)[nH]1,0,0.0,
+CCCSc1nnc(-c2ccccc2NC(=O)CC)c(=O)[nH]1,0,0.0,
+CCCSc1nnc(CN2CCOCC2)n1C,0,0.0,
+CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C,0,0.0,
+CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1,0,0.0,
+CCCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1,0,0.0,
+CCCSc1nnc(Cn2c(=O)sc3ccccc32)n1C,0,0.0,
+CCCSc1nnc(N2C(=O)CC(c3ccsc3)C3=C2CCCC3=O)s1,0,0.0,
+CCCSc1nnc(NC(=O)Nc2ccc(F)cc2)s1,0,0.0,
+CCCSc1nnc(NC(=O)Nc2ccccc2)s1,0,0.0,
+CCCSc1nnc(Sc2nnnn2-c2ccccc2)s1,0,0.0,
+CCCSc1nnc2[nH]c(=O)cc(N)n12,0,0.0,
+CCCSc1nnc2c(n1)OC(c1cccn1C)N(C(C)=O)c1ccccc1-2,1,100.0,1.0
+CCCSc1nnc2n(-c3ccccc3OC)c(=O)c3c4c(sc3n12)CCC4,0,0.0,
+CCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCC4,0,0.0,
+CCCSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCC4,0,0.0,
+CCCSc1nnc2nc(C)cc(C)n12,0,0.0,
+CCCSc1nnc2nc3c(nn12)c1ccccc1n3C,0,0.0,
+CCCSc1nsc(SCCC)c1C(N)=O,0,0.0,
+CCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1,0,0.0,
+CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)O)N(C)C1,0,0.0,
+CCCc1[nH][nH]c(=O)c1C(c1cccc(Cl)c1)C(C#N)C#N,0,0.0,
+CCCc1[nH][nH]c(=O)c1C(c1ccccc1)C(C#N)C#N,1,100.0,
+CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C=NCC1CCCO1,0,0.0,
+CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C=NCCN1CCOCC1,0,0.0,
+CCCc1[nH]nc2c1C(/C(C)=C/c1ccccc1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(C(C)C)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(C1CC=CCC1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(C1CCCCC1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(CCC)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(CCc1ccccc1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2,1,100.0,0.0
+CCCc1[nH]nc2c1C(c1c(C)nn(-c3ccccc3)c1Cl)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1cc(OC)cc(OC)c1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1cc(OC)ccc1F)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccc(Br)s1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccc(O)c(OC)c1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccc(O)cc1OCC)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccc(OC(=O)N3CCOCC3)c(OC)c1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccc(OC(=O)N3CCOCC3)cc1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccc(OC)c(CSC3=NCCS3)c1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccc(OC)c(Cn3nc(C)c(Br)c3C)c1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccc(OC)c(Cn3nnc4ccccc43)c1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccc(OC)cc1OC)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccc(OCCN3CCOCC3)c(OCC)c1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1cccc(OC(=O)c3ccco3)c1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1cccc(OC)c1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccccc1OC)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccccc1OCC)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2,1,100.0,0.0
+CCCc1[nH]nc2c1C(c1cn[nH]c1-c1ccc(F)cc1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C1(C(=O)N(CC(N)=O)c3ccccc31)C(C(=O)OC)=C(N)O2,1,100.0,
+CCCc1[nH]nc2c1C1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C1(CCN(C(=O)OCc3ccccc3)CC1)C(C#N)=C(N)O2,0,0.0,
+CCCc1[nH]nc2c1C1(CCOC1C)C(C#N)=C(N)O2,0,0.0,
+CCCc1c(C(=O)OCC)[nH]c2c1C(=O)CCC2,0,0.0,
+CCCc1c(C)c2cc(C)ccc2[nH]c1=O,0,0.0,
+CCCc1c(C)c2ccc(OCC(C)=O)cc2oc1=O,0,0.0,
+CCCc1c(C)c2cccc(C)c2[nH]c1=O,0,0.0,
+CCCc1c(C)c2ccccc2[nH]c1=O,0,0.0,
+CCCc1c(CC)c(=N)c2ccccc2n1C,0,0.0,
+CCCc1c(O)nc(SCC(=O)NCCc2ccc(OC)c(OC)c2)[nH]c1=O,0,0.0,
+CCCc1c(O)nc(SCCN(CC)CC)n(C(=O)c2ccccc2)c1=O,0,0.0,
+CCCc1c(O)nc(SCCN(CCC)CCC)[nH]c1=O,0,0.0,
+CCCc1c(O)nc(SCc2ccccc2)[nH]c1=O,0,0.0,
+CCCc1c(OCCCCc2nn[nH]n2)ccc(C(C)=O)c1O,0,0.0,
+CCCc1cc(-c2[nH]ncc2-c2ccc(C(=O)OCC)o2)c(O)cc1O,0,0.0,
+CCCc1cc(-c2[nH]ncc2-c2ccc3c(c2)OCCCO3)c(O)cc1O,0,0.0,
+CCCc1cc(-c2ccc(O)c(OCC)c2)c(C#N)c(N)n1,0,0.0,
+CCCc1cc(-c2n[nH]c(C)c2-c2ccc(C(=O)OCC)o2)c(O)cc1O,0,0.0,
+CCCc1cc(-c2nc(N)ncc2-c2ccc3c(c2)OCCCO3)c(O)cc1OC,0,0.0,
+CCCc1cc(-n2ccnc2)n2c(nc3ccccc32)c1C#N,0,0.0,
+CCCc1cc(-n2ccnc2C)n2c(nc3ccccc32)c1C#N,0,0.0,
+CCCc1cc(=O)[nH]c(/N=C(/NC(=O)C(C)N2C(=O)c3ccccc3C2=O)Nc2ccccc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(/N=C(/NC(=O)c2ccccc2)Nc2ccc3c(c2)OCCO3)n1,0,0.0,
+CCCc1cc(=O)[nH]c(/N=C(\N)Nc2ccccc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(=S)[nH]1,0,0.0,
+CCCc1cc(=O)[nH]c(NCc2ccc(Cl)cc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(Nc2cc(OC)ccc2OC)n1,0,0.0,
+CCCc1cc(=O)[nH]c(Nc2ccc(N3CCCCC3)cc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(Nc2ccc(OC)c(Cl)c2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SC(CC)C(=O)Nc2ccccc2C#N)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)CSc2nc(CCC)cc(=O)[nH]2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)N(C)C2CCS(=O)(=O)C2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)N(C)CC(=O)Nc2ccccc2CC)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)N(C)Cc2ccccc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)N(CC)Cc2ccccc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)N(Cc2ccccc2)C(C)C)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)N2CCC(C(=O)OCC)CC2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)N2CCN(c3ccccc3)CC2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)OCC)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)c2ccccc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)NC2CCCCC2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OC(F)F)cc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)Nc2nonc2N)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)OCc2ccccc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(C(C)COC)c2C)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(CCOC)c2C)n1,1,100.0,0.0
+CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC(N)=O)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCC)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCCOc2ccc(Cl)cc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCc2cc(C(=O)OC)c(C)o2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCc2ccc(C#N)cc2)n1,0,0.0,
+CCCc1cc(=O)[nH]c(SCc2ccccc2)n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(-c3cc(OC)c(OC)c(OC)c3)nc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(-c3ccc(Br)cc3)cc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(C)cc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(C)nc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(CCc3ccccc3)nc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(Cc3ccccc3)nc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(NCc3c(Cl)cccc3Cl)nc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(NCc3c(F)cccc3Cl)nc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(NCc3ccc(Cl)cc3Cl)nc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(NCc3ccccc3Cl)nc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(NCc3ccccc3F)nc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(NCc3cccs3)nc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]c(SCc3ccccc3)nc2n1,0,0.0,
+CCCc1cc(=O)n2[nH]cnc2n1,0,0.0,
+CCCc1cc(=O)n2c(nc3ccccc32)[nH]1,0,0.0,
+CCCc1cc(=O)oc2c(C)c(O)c(CN3CCCCC3)cc12,0,0.0,
+CCCc1cc(=O)oc2c(C)c3occ(C)c3cc12,0,0.0,
+CCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12,0,0.0,
+CCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12,0,0.0,
+CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12,0,0.0,
+CCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12,0,0.0,
+CCCc1cc(=O)oc2cc(C)c3c(C)coc3c12,0,0.0,
+CCCc1cc(=O)oc2cc(C)cc(OC(=O)c3ccco3)c12,1,100.0,0.0
+CCCc1cc(=O)oc2cc(C)cc(OCC(=O)O)c12,0,0.0,
+CCCc1cc(=O)oc2cc(C)cc(OCc3nn[nH]n3)c12,0,0.0,
+CCCc1cc(=O)oc2cc(OCC(=O)N(C)C)c(Cl)cc12,0,0.0,
+CCCc1cc(=O)oc2cc(OCC(=O)Nc3cc(C)on3)ccc12,0,0.0,
+CCCc1cc(=O)oc2cc(OCC(=O)OC)cc(OCC(=O)OC)c12,0,0.0,
+CCCc1cc(=O)oc2cc(Oc3ncccn3)ccc12,0,0.0,
+CCCc1cc(=O)oc2cc3oc(C)c(C)c3cc12,0,0.0,
+CCCc1cc(=O)oc2cc3occ(C)c3cc12,0,0.0,
+CCCc1cc(C(=O)Cc2ccc(C(=O)OCC)o2)c(O)cc1O,0,0.0,
+CCCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O,0,0.0,
+CCCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1,0,0.0,
+CCCc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1,0,0.0,
+CCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cs1,0,0.0,
+CCCc1cc(C(=O)N2CCN(c3ccccc3C)CC2)cs1,0,0.0,
+CCCc1cc(C(=O)NC2CCCC2)no1,0,0.0,
+CCCc1cc(C(=O)NC2CCCCC2)no1,0,0.0,
+CCCc1cc(C(=O)NCC(C)C)no1,0,0.0,
+CCCc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)no1,0,0.0,
+CCCc1cc(C(=O)NCCc2ccccc2)no1,0,0.0,
+CCCc1cc(C(=O)NCc2ccc(OC)cc2)no1,0,0.0,
+CCCc1cc(C(=O)NCc2ccccc2)no1,0,0.0,
+CCCc1cc(C(=O)NCc2ccco2)no1,0,0.0,
+CCCc1cc(C(=O)NCc2cccs2)no1,0,0.0,
+CCCc1cc(C(=O)Nc2cc(Br)ccc2O)no1,0,0.0,
+CCCc1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1,0,0.0,
+CCCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)no1,0,0.0,
+CCCc1cc(C(=O)Nc2ccc(C(C)=O)cc2)no1,0,0.0,
+CCCc1cc(C(=O)Nc2ccc(C)cc2)no1,0,0.0,
+CCCc1cc(C(=O)Nc2cccc(C(C)=O)c2)no1,0,0.0,
+CCCc1cc(C(=O)Nc2cccc(Cl)c2)no1,0,0.0,
+CCCc1cc(C(=O)Nc2ccccc2C(=O)OC)no1,0,0.0,
+CCCc1cc(C(=O)Nc2ccccc2SC)no1,0,0.0,
+CCCc1cc(C(=O)Nc2cccnc2)no1,0,0.0,
+CCCc1cc(C(=O)Nc2nccs2)cs1,0,0.0,
+CCCc1cc(C(=O)Nc2nnc(C)s2)cs1,0,0.0,
+CCCc1cc(C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)no1,0,0.0,
+CCCc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)no1,0,0.0,
+CCCc1cc(C(=O)Nc2sc(C)c(CC)c2C#N)no1,0,0.0,
+CCCc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1,0,0.0,
+CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)no1,0,0.0,
+CCCc1cc(C(=O)OC)c(NC(=O)OCC)s1,0,0.0,
+CCCc1cc(C(N)=O)c(NC(=O)C2CCCO2)s1,0,0.0,
+CCCc1cc(C(N)=O)c(NC(=O)c2cc(C)on2)s1,0,0.0,
+CCCc1cc(C(N)=O)c(NC(=O)c2ccco2)s1,0,0.0,
+CCCc1cc(C(N)=O)c(NC(=O)c2ccoc2C)s1,0,0.0,
+CCCc1cc(C(N)=O)c(NC(C)=O)s1,0,0.0,
+CCCc1cc(C(N)=S)ccn1,0,0.0,
+CCCc1cc(N2CCCC(C(=O)NCC)C2)n2ncnc2n1,0,0.0,
+CCCc1cc(N2CCCC(C(=O)NCc3ccc4c(c3)OCO4)C2)n2ncnc2n1,0,0.0,
+CCCc1cc(N2CCCC(C(=O)Nc3c(OC)cccc3OC)C2)n2ncnc2n1,0,0.0,
+CCCc1cc(N2CCCC(C(=O)Nc3cc(Cl)ccc3OC)C2)n2ncnc2n1,0,0.0,
+CCCc1cc(N2CCCC(C(=O)Nc3ccc(OC)cc3OC)C2)n2ncnc2n1,0,0.0,
+CCCc1cc(N2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,0,0.0,
+CCCc1cc(N2CCN(c3ccccn3)CC2)n2nc(C)c(-c3ccccc3)c2n1,0,0.0,
+CCCc1cc(NCCCCO)n2c(nc3ccccc32)c1C#N,0,0.0,
+CCCc1cc(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N,0,0.0,
+CCCc1cc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n2c(nc3ccccc32)c1C#N,1,100.0,0.0
+CCCc1cc(Nc2cccc(OC)c2)n2ncnc2n1,0,0.0,
+CCCc1cc(Nc2cccc(OCC)c2)n2ncnc2n1,0,0.0,
+CCCc1cc2c(=O)c(-c3ccccn3)c(C)oc2cc1O,0,0.0,
+CCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC,0,0.0,
+CCCc1cc2c(c(NC(C)=O)n1)c(=O)oc1ccccc12,0,0.0,
+CCCc1cc2c(cc1NS(=O)(=O)c1ccc(CCNC(C)=O)cc1)OCO2,0,0.0,
+CCCc1ccc(-c2ccc(C(=O)O)cc2)nc1,0,0.0,
+CCCc1ccc(-c2ccc(F)c(N)c2)nc1,0,0.0,
+CCCc1ccc(C(=O)CCC(=O)O)cc1,0,0.0,
+CCCc1ccc(C(=O)N2CCN(c3ccccc3OCC)CC2)cc1,0,0.0,
+CCCc1ccc(C(C)NC(=O)c2cnccn2)cc1,0,0.0,
+CCCc1ccc(OCC(=O)O)cc1,0,0.0,
+CCCc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1,0,0.0,
+CCCc1ccc(OCCNC(=O)CC)cc1,0,0.0,
+CCCc1ccc(OCCNC(C)=O)cc1,0,0.0,
+CCCc1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)c(OC)c1,0,0.0,
+CCCc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1,0,0.0,
+CCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)cc1,0,0.0,
+CCCc1ccc(Oc2c(-c3ccc(O)c(C)c3O)n[nH]c2C)cc1,0,0.0,
+CCCc1ccc(Oc2cn[nH]c2-c2ccc(O)c(C)c2O)cc1,0,0.0,
+CCCc1ccc(Oc2cn[nH]c2-c2ccc(O)cc2O)cc1,0,0.0,
+CCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1,0,0.0,
+CCCc1ccc2c(N)c(C#N)sc2n1,0,0.0,
+CCCc1ccccc1OCCNC(C)=O,0,0.0,
+CCCc1cn(S(=O)(=O)c2ccc(OC)cc2OC)nc1N,0,0.0,
+CCCc1n[nH]c(=O)[nH]1,0,0.0,
+CCCc1n[nH]c2c1/C(=N/O)CC(c1ccccc1)C2,0,0.0,
+CCCc1n[nH]c2c1C(=O)C(C(=O)OC)C(C)(C)C2,0,0.0,
+CCCc1n[nH]c2c1C(=O)CC(C)(C)C2,0,0.0,
+CCCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1,0,0.0,
+CCCc1nc(-c2ccc(-c3ccc(F)cc3)cc2)no1,0,0.0,
+CCCc1nc(C)c(-c2ccc(OC)c(OC)c2)c(=O)[nH]1,0,0.0,
+CCCc1nc(N)c(C#N)c(-c2cccnc2)c1CC,0,0.0,
+CCCc1nc(N)c(C#N)c(-c2ccco2)c1CC,0,0.0,
+CCCc1nc(N)c(C#N)c(N)c1C#N,0,0.0,
+CCCc1nc(N)nc2c1C(=O)CC(C)(C)C2,0,0.0,
+CCCc1nc(N2CCCC2)c(C#N)c2c1CCCC2,0,0.0,
+CCCc1nc(N2CCN(C)CC2)c2sc(=S)n(-c3ccccc3)c2n1,0,0.0,
+CCCc1nc(N2CCOCC2)c(C#N)c2c1CCCC2,0,0.0,
+CCCc1nc(NC(C)=O)c(C#N)c(-c2ccco2)c1CC,0,0.0,
+CCCc1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CCCc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CCCc1nc(NCc2ccncc2)c2nnn(Cc3ccccc3F)c2n1,0,0.0,
+CCCc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)OCC,0,0.0,
+CCCc1nc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)n[nH]1,0,0.0,
+CCCc1nc(SC2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCCc1nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1,0,0.0,
+CCCc1nc(SCC(=O)N2CCCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1,1,100.0,
+CCCc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1,1,100.0,
+CCCc1nc(SCC(=O)N2CCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCCc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCCc1nc(SCC(=O)NCc2ccco2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCCc1nc(SCC(=O)Nc2cc(C)on2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCCc1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1,0,0.0,
+CCCc1nc(SCC(=O)Nc2cc(Cl)ccc2OC)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCCc1nc(SCC(=O)Nc2ccccc2OC)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCCc1nc(SCC(=O)c2ccc(OC)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCCc1nc(SCC(N)=O)[nH]c(=O)c1CC,0,0.0,
+CCCc1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1,1,100.0,1.0
+CCCc1nc(SCc2cccnc2)c2c(=O)n(C)c(=O)n(C)c2n1,1,100.0,
+CCCc1nc2c(=O)[nH]c3ccccc3c2o1,0,0.0,
+CCCc1nc2c(nnn2Cc2ccccc2)c(=O)[nH]1,0,0.0,
+CCCc1nc2c(o1)CC(CC(C)SCC)CC2=O,0,0.0,
+CCCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1Cc1ccco1,0,0.0,
+CCCc1nc2c3cnn(-c4cccc(Cl)c4)c3ncn2n1,0,0.0,
+CCCc1nc2ccccc2c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+CCCc1nc2ccccc2c(=O)n1-c1cccc(OC)c1,0,0.0,
+CCCc1nc2ccccc2c(=O)n1-c1ccccc1OC,0,0.0,
+CCCc1nc2ccccc2c(=O)n1/N=C/c1c(C)[nH]n(-c2ccc(C)cc2)c1=O,0,0.0,
+CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)c(O)c1,0,0.0,
+CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1,0,0.0,
+CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1O,0,0.0,
+CCCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1O,0,0.0,
+CCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+CCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCCc1nc2ccccc2c(C(=O)OC2CCOC2=O)c1CC,0,0.0,
+CCCc1nc2ccccc2c(C(=O)OCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1CC,0,0.0,
+CCCc1nc2ccccc2c2nc(N)nn12,0,0.0,
+CCCc1nc2ccccc2n2cc3c(=O)n(C)c(=O)n(C)c3c12,0,0.0,
+CCCc1nc2n[nH]c(N)c2c2c1CCC2,0,0.0,
+CCCc1nc2n[nH]c(N)c2c2c1CCCC2,0,0.0,
+CCCc1nc2n[nH]c(N)c2c2c1COC(C)(C)C2,0,0.0,
+CCCc1nc2oc(C(=O)OCC)c(N)c2c2c1COC(C)(C)C2,0,0.0,
+CCCc1nc2oc3c(N4CCNCC4)ncnc3c2c2c1CCCC2,0,0.0,
+CCCc1nc2oc3c(NCCN(C)C)ncnc3c2c2c1CCCC2,1,100.0,0.0
+CCCc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCCC2,0,0.0,
+CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1,0,0.0,
+CCCc1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2c1CCC2,0,0.0,
+CCCc1nc2sc3c(c2c(=O)n1N)CCC3,0,0.0,
+CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1,0,0.0,
+CCCc1nc2scc(-c3ccccc3)c2c(=O)n1N,0,0.0,
+CCCc1ncc(C(=O)c2ccc(OC)cc2)n1C,0,0.0,
+CCCc1ncc(C(O)c2ccc(OC)cc2)n1C,0,0.0,
+CCCc1ncc(C(O)c2cccc(OC)c2OC)n1C,0,0.0,
+CCCc1ncc(C(O)c2cccc3ccccc23)n1C,0,0.0,
+CCCc1nn(C)c2c1C(c1cccnc1)C(C#N)=C(N)O2,0,0.0,
+CCCc1nn(C)c2c1C(c1ccncc1)C(C#N)=C(N)O2,0,0.0,
+CCCc1nn(CCc2ccccn2)c(N)c1CC,0,0.0,
+CCCc1nnc(NC(=O)C2CCCO2)s1,0,0.0,
+CCCc1nnc(NC(=O)CC(=O)OCC)s1,0,0.0,
+CCCc1nnc(NC(=O)CCC(=O)N2CCCCC2CC)s1,0,0.0,
+CCCc1nnc(NC(=O)CCC(=O)N2CCCCCC2)s1,0,0.0,
+CCCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1,0,0.0,
+CCCc1nnc(NC(=O)CCC(=O)N2CCN(CCn3c(C)ccc3C)CC2)s1,0,0.0,
+CCCc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1,0,0.0,
+CCCc1nnc(NC(=O)CCC(=O)O)s1,0,0.0,
+CCCc1nnc(NC(=O)CCCC(=O)O)s1,0,0.0,
+CCCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1,0,0.0,
+CCCc1nnc(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)s1,0,0.0,
+CCCc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1,0,0.0,
+CCCc1nnc(NC(=O)CN2CCOCC2)s1,0,0.0,
+CCCc1nnc(NC(=O)CNc2ccc(F)cc2)s1,0,0.0,
+CCCc1nnc(NC(=O)CSc2ncn[nH]2)s1,0,0.0,
+CCCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1,0,0.0,
+CCCc1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1,0,0.0,
+CCCc1nnc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)s1,0,0.0,
+CCCc1nnc(NC(=O)Nc2ccccc2OC)s1,0,0.0,
+CCCc1nnc(NC(=O)c2c(O)c3c([nH]c2=O)CCCC3)s1,0,0.0,
+CCCc1nnc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)s1,0,0.0,
+CCCc1nnc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)s1,0,0.0,
+CCCc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1,0,0.0,
+CCCc1nnc(NC(=O)c2cccc(OC)c2)s1,0,0.0,
+CCCc1nnc(NC(=O)c2ccncc2)s1,0,0.0,
+CCCc1nnc(NC2=NS(=O)(=O)c3ccccc32)s1,0,0.0,
+CCCc1nnc(SCC(=O)N2CCCC(C)C2)n1CCCOC,0,0.0,
+CCCc1nnc(SCC(=O)N2CCCC2)n1CC1CCCO1,0,0.0,
+CCCc1nnc(SCC(=O)N2CCOCC2)n1CCCOC,0,0.0,
+CCCc1nnc(SCC(=O)N2CCOCC2)n1Cc1ccco1,0,0.0,
+CCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1N,0,0.0,
+CCCc1nnc(SCC(=O)O)n1/N=C/c1ccc2c(c1)OCO2,0,0.0,
+CCCc1nnc(SCCSc2nnc(CCC)n2N)n1N,0,0.0,
+CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N,0,0.0,
+CCCc1nnc(SCc2ccc(OC)cc2)n1N,0,0.0,
+CCCc1nnc(SCc2ccc(OCC)cc2)n1N,0,0.0,
+CCCc1nnc2n1N=C(c1ccc(-c3cc(Cl)ccc3Cl)o1)CS2,0,0.0,
+CCCc1nnc2n1N=C(c1ccc(OC)c(OC)c1)CS2,0,0.0,
+CCCc1noc(-c2ccc(-c3ccccc3)cc2)n1,0,0.0,
+CCCc1noc2c1/C(=N\O)CC(CC(C)SCC)C2,0,0.0,
+CCCc1noc2c1C(c1ccoc1)C(C#N)=C(N)N2,0,0.0,
+CCCc1oc2c(c(=O)c1CC)C(=O)CC(C)(C)C2,0,0.0,
+CCCn1[nH]cc(SC)c(=O)c1=O,0,0.0,
+CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)O,0,0.0,
+CCCn1c(-c2ccc(F)cc2)n[nH]c1=S,0,0.0,
+CCCn1c(-c2ccc(OC)cc2)nc2ccccc21,0,0.0,
+CCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21,0,0.0,
+CCCn1c(-c2ccccc2)nc2c(=O)n(C)c(=O)[nH]c21,0,0.0,
+CCCn1c(-c2cccs2)nc2ccccc21,0,0.0,
+CCCn1c(/N=C/c2cc(OC)ccc2O)nc2ccccc21,0,0.0,
+CCCn1c(=C(C#N)C#N)s/c(=C2\C=Cc3ccccc3N2CC)c1=O,0,0.0,
+CCCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21,1,100.0,1.0
+CCCn1c(=N)n(CC(=O)C(C)(C)C)c2ccccc21,0,0.0,
+CCCn1c(=N)n(CC(=O)OCC)c2ccccc21,0,0.0,
+CCCn1c(=N)n(CC(=O)c2ccco2)c2ccccc21,0,0.0,
+CCCn1c(=N)n(CC(=O)c2cccs2)c2ccccc21,0,0.0,
+CCCn1c(=N)n(CC(O)COc2cccc(C)c2)c2ccccc21,0,0.0,
+CCCn1c(=N)n(CC(O)c2ccco2)c2ccccc21,0,0.0,
+CCCn1c(=N)n(CCOc2ccc(OC)cc2)c2ccccc21,0,0.0,
+CCCn1c(=NC(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCCn1c(=NC(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,0,0.0,
+CCCn1c(=NC(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,0,0.0,
+CCCn1c(=NC(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCCn1c(=NC(=O)c2ccncc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCCn1c(=NC(C)=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCCn1c(=NC(C)=O)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,0,0.0,
+CCCn1c(=O)[nH]c(=O)c2[nH]cnc21,0,0.0,
+CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc3c(c1)OCCO3)n2CCN1CCOCC1,0,0.0,
+CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1OC(F)F)n2CCOC,0,0.0,
+CCCn1c(=O)c(-c2ccccc2)c(O)c2ccccc21,0,0.0,
+CCCn1c(=O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(O)c2ccccc21,0,0.0,
+CCCn1c(=O)c(C(=O)NCc2ccccn2)c(O)c2ccccc21,0,0.0,
+CCCn1c(=O)c(C(=O)NCc2cccnc2)c(O)c2ccccc21,0,0.0,
+CCCn1c(=O)c(C(=O)NCc2ccncc2)c(O)c2ccccc21,0,0.0,
+CCCn1c(=O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c2ccccc21,1,100.0,
+CCCn1c(=O)c(C(=O)Nc2ccccc2C(=O)OC)c(O)c2ccccc21,0,0.0,
+CCCn1c(=O)c(C(=O)Nc2ccccc2C(=O)OCC)c(O)c2ccccc21,0,0.0,
+CCCn1c(=O)c(C(=O)Nc2ccncc2)c(O)c2ccccc21,0,0.0,
+CCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21,0,0.0,
+CCCn1c(=O)c(C(=O)Nc2nnc(C)s2)c(O)c2ccccc21,0,0.0,
+CCCn1c(=O)c(C(=O)Nc2nnc(CC)s2)c(O)c2ccccc21,0,0.0,
+CCCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21,0,0.0,
+CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCC)c1=O,0,0.0,
+CCCn1c(=O)c2c(c3ccccc31)OC(C)C(=O)N2,0,0.0,
+CCCn1c(=O)c2c(c3ccccc31)OCC(=O)N2,0,0.0,
+CCCn1c(=O)c2c(nc(Br)n2CCC)n(C)c1=O,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCC(=O)/C(C#N)=C(\C)N)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(C)on3)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n(CC4CCCO4)c3C)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n(CCOC)c3C)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(F)cc3)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccccc3)nnc12,1,100.0,
+CCCn1c(=O)c2ccccc2n2c(SCCOc3ccc(C)cc3)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCCOc3ccc(Cl)cc3)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCCOc3ccc(OC)cc3)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCCOc3ccccc3)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCCOc3ccccc3F)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCN3C(=O)c4ccccc4C3=O)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCc3c(C(=O)OCC)oc4ccccc34)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCc3cc(=O)n4ccsc4n3)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCc3nc4ccccc4s3)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(SCc3nnc(-c4ccccc4Br)o3)nnc12,0,0.0,
+CCCn1c(=O)c2ccccc2n2c(Sc3nnnn3-c3ccccc3)nnc12,0,0.0,
+CCCn1c(=O)n(C)c(=O)c2c(SCc3cc(C(C)=O)ccc3OCC)nc(C3CC3)nc21,0,0.0,
+CCCn1c(=O)n(C)c(=O)c2c3oc(=O)c(NC(=O)c4ccc(F)cc4)cc3[nH]c21,0,0.0,
+CCCn1c(=S)[nH]c2cc(C(=O)N3CCCC(C(=O)OCC)C3)ccc2c1=O,0,0.0,
+CCCn1c(=S)[nH]c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2c1=O,0,0.0,
+CCCn1c(=S)[nH]c2cc(C(=O)NCC3CCCO3)ccc2c1=O,0,0.0,
+CCCn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21,0,0.0,
+CCCn1c(C(C)NC(C)=O)nc2ccccc21,0,0.0,
+CCCn1c(C(O)c2cc(OC)ccc2OC)nc2ccccc21,0,0.0,
+CCCn1c(C(O)c2ccc(OCC)cc2)nc2ccccc21,0,0.0,
+CCCn1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21,0,0.0,
+CCCn1c(C)cc(=O)c2cc(NC(=O)c3ccccn3)ccc21,0,0.0,
+CCCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3C2=O)c1C,0,0.0,
+CCCn1c(C)cc(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1C,0,0.0,
+CCCn1c(C)cc(C(=O)COc2ncnc3sccc23)c1C,0,0.0,
+CCCn1c(C)cc(C(=O)CSc2nnc3n(CCC)c(=O)c4ccccc4n23)c1C,0,0.0,
+CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2,0,0.0,
+CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1,0,0.0,
+CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1,0,0.0,
+CCCn1c(C2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21,0,0.0,
+CCCn1c(CCC(=O)O)ccc1-c1ccc(F)cc1,0,0.0,
+CCCn1c(CCC(=O)O)ccc1-c1ccc(OC)cc1,0,0.0,
+CCCn1c(CCC(=O)O)ccc1-c1cccs1,0,0.0,
+CCCn1c(CCNC(=O)c2cccs2)nc2ccccc21,0,0.0,
+CCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC1,0,0.0,
+CCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCOCC1,0,0.0,
+CCCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(CN2CCCCC2CC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C,1,100.0,
+CCCn1c(CNC(=O)Cc2ccccc2)nc2ccccc21,0,0.0,
+CCCn1c(CNC(=O)c2ccccc2)nc2ccccc21,0,0.0,
+CCCn1c(CNC(=O)c2cccs2)nc2ccccc21,0,0.0,
+CCCn1c(CNS(=O)(=O)c2ccc(C)cc2)nc2ccccc21,0,0.0,
+CCCn1c(CNc2ccc(Br)cc2)nc2ccccc21,0,0.0,
+CCCn1c(CNc2ccccc2O)nc2ccccc21,0,0.0,
+CCCn1c(N)c(-c2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)c(=O)n(C)c1=O,0,0.0,
+CCCn1c(N)c(C(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)c(=O)[nH]c1=O,0,0.0,
+CCCn1c(N)c(C(=O)COC(=O)c2c(C)noc2C)c(=O)n(C)c1=O,0,0.0,
+CCCn1c(N)c(C(=O)CSc2nc3ccccc3n2CCC#N)c(=O)n(C)c1=O,0,0.0,
+CCCn1c(N)c(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCCn1c(N)c(C(=O)CSc2nnc(Cc3ccccc3)o2)c(=O)n(C)c1=O,0,0.0,
+CCCn1c(N)c(C(c2ccc(C(=O)OC)cc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O,0,0.0,
+CCCn1c(N)c(N(C)C)c(=O)n(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1=O,0,0.0,
+CCCn1c(N)c(Sc2ccc(Cl)cc2)c(=O)n(CCC)c1=O,0,0.0,
+CCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nc2ccccc21,0,0.0,
+CCCn1c(N2CCN(CC(=O)NCc3cccs3)CC2)nc2ccccc21,0,0.0,
+CCCn1c(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)nc2ccccc21,0,0.0,
+CCCn1c(N2CCN(CC(=O)c3c(C)n(C)c4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCn1c(N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCn1c(N2CCN(Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2ccccc21,0,0.0,
+CCCn1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)nc2ccccc21,0,0.0,
+CCCn1c(NC(=O)C2COc3ccccc3O2)nc2ccccc21,0,0.0,
+CCCn1c(NC(=O)c2ccc(C)cc2)nc2ccccc21,0,0.0,
+CCCn1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)nc2ccccc21,0,0.0,
+CCCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc21,0,0.0,
+CCCn1c(NC(=O)c2ccccc2)nc2ccccc21,0,0.0,
+CCCn1c(NC(=O)c2ccco2)nc2ccccc21,0,0.0,
+CCCn1c(NCc2cc(C)ccc2O)nc2ccccc21,0,0.0,
+CCCn1c(NCc2cc(OC)ccc2OC)nc2ccccc21,0,0.0,
+CCCn1c(NCc2ccc(C)o2)nc2ccccc21,0,0.0,
+CCCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21,0,0.0,
+CCCn1c(NCc2ccc3c(c2)OCO3)nc2ccccc21,0,0.0,
+CCCn1c(NCc2cccc(OC)c2O)nc2ccccc21,0,0.0,
+CCCn1c(NCc2cccc(OC)c2OC)nc2ccccc21,0,0.0,
+CCCn1c(NCc2ccco2)nc2ccccc21,0,0.0,
+CCCn1c(NCc2cccs2)nc2ccccc21,0,0.0,
+CCCn1c(O)c(CN2CCCC(C)C2)c(C)c(C#N)c1=O,0,0.0,
+CCCn1c(O)c(CN2CCCCC2)c(C)c(C#N)c1=O,0,0.0,
+CCCn1c(OC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SC2C(=O)CC(C)(C)CC2=O)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC#N)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,0,0.0,
+CCCn1c(SCC(=O)/C(C#N)=C(\C)N)n[nH]c1=O,0,0.0,
+CCCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccco1,0,0.0,
+CCCn1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccn1,0,0.0,
+CCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1,0,0.0,
+CCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n[nH]c1=O,0,0.0,
+CCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc2c1=O,1,100.0,
+CCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1,0,0.0,
+CCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1,0,0.0,
+CCCn1c(SCC(=O)N2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)NC(=O)NCc2ccco2)n[nH]c1=O,0,0.0,
+CCCn1c(SCC(=O)NC(=O)Nc2ccc(C)cc2C)n[nH]c1=O,0,0.0,
+CCCn1c(SCC(=O)NC(C)(C)C)nnc1C(C)C,0,0.0,
+CCCn1c(SCC(=O)NC)nnc1C(C)C,0,0.0,
+CCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccncc1,0,0.0,
+CCCn1c(SCC(=O)NCC2CCCO2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)NCCc2ccc(Cl)cc2)n[nH]c1=O,0,0.0,
+CCCn1c(SCC(=O)NCCc2ccc(Cl)cc2Cl)n[nH]c1=O,0,0.0,
+CCCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccccn1,0,0.0,
+CCCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccnc1,0,0.0,
+CCCn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C,0,0.0,
+CCCn1c(SCC(=O)NCc2cccs2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)C,0,0.0,
+CCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1C(C)C,0,0.0,
+CCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1C(C)C,0,0.0,
+CCCn1c(SCC(=O)Nc2cc(C)on2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1cccnc1,0,0.0,
+CCCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1-c1ccoc1C,0,0.0,
+CCCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1,0,0.0,
+CCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1C(C)C,0,0.0,
+CCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccoc1C,0,0.0,
+CCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)Nc2ccccc2C(=O)OCC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)Nc2ccccc2CC)nnc1C(C)C,0,0.0,
+CCCn1c(SCC(=O)Nc2ccccc2N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)Nc2nc(C)c(C(=O)OC)s2)nnc1C(C)C,0,0.0,
+CCCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)Nc2nccs2)nnc1-c1cccnc1,0,0.0,
+CCCn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1ccccn1,0,0.0,
+CCCn1c(SCC(=O)Nc2nnc(C(C)C)s2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccoc1C,0,0.0,
+CCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)Nc2nnc(CC)s2)nnc1-c1ccco1,0,0.0,
+CCCn1c(SCC(=O)Nc2nonc2C)nnc1-c1ccoc1C,0,0.0,
+CCCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)O)nc2ccccc21,0,0.0,
+CCCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1-c1ccco1,0,0.0,
+CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1C(C)C,0,0.0,
+CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccco1,0,0.0,
+CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1C(C)C,0,0.0,
+CCCn1c(SCC(N)=O)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,0,0.0,
+CCCn1c(SCC(N)=O)nnc1-c1ccco1,0,0.0,
+CCCn1c(SCC(N)=O)nnc1C(C)C,0,0.0,
+CCCn1c(SCCN2C(=O)c3ccccc3C2=O)n[nH]c1=O,0,0.0,
+CCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCn1c(SCc2cc(=O)[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCc2cc(=O)oc3ccc4ccccc4c23)n[nH]c1=O,0,0.0,
+CCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCCn1c(SCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccncc1,0,0.0,
+CCCn1c(Sc2nnnn2-c2ccccc2)n[nH]c1=O,0,0.0,
+CCCn1c2c(c(O)c(C(=O)NC)c1=O)CCCC2,0,0.0,
+CCCn1c2c(c(O)c(C(=O)Nc3ccc(C)cn3)c1=O)CCCC2,0,0.0,
+CCCn1c2c(c(O)c(C(=O)Nc3ccc(OC)cc3)c1=O)CCCC2,0,0.0,
+CCCn1c2c(c(O)c(C(=O)Nc3ccc(OCC)cc3)c1=O)CCCC2,0,0.0,
+CCCn1c2c(c(O)c(C(=O)Nc3ccccc3)c1=O)CCCC2,0,0.0,
+CCCn1c2c(c(O)c(C(=O)Nc3ccccn3)c1=O)CCCC2,0,0.0,
+CCCn1c2c(c(O)c(C(=O)Nc3nc(C)cs3)c1=O)CCCC2,0,0.0,
+CCCn1c2c(c(O)c(C(=O)Nc3ncccc3C)c1=O)CCCC2,1,100.0,1.0
+CCCn1c2c(c(O)c(C(=O)Nc3ncccc3O)c1=O)CCCC2,0,0.0,
+CCCn1c2c(c(O)c(C(=O)Nc3nccs3)c1=O)CCCC2,0,0.0,
+CCCn1c2ccccc2c2cc(C(=O)O)ccc21,0,0.0,
+CCCn1c2ccccc2c2nc3ccccc3nc21,0,0.0,
+CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ncccn3)nc21,0,0.0,
+CCCn1c2ccccc2c2nnc(SCC(=O)OC)nc21,0,0.0,
+CCCn1c2ccccc2c2nnc(SCC(=O)OCC)nc21,0,0.0,
+CCCn1cc(C(CC(=O)O)C(=O)O)c2ccccc21,0,0.0,
+CCCn1cc(NC(=O)C2CC(c3cccc(Br)c3)=NO2)cn1,0,0.0,
+CCCn1cc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccccc2)N3)cn1,0,0.0,
+CCCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21,0,0.0,
+CCCn1cc(S(=O)(=O)CC(=O)NC2CCCCC2)c2ccccc21,0,0.0,
+CCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OC)cc2OC)c2ccccc21,0,0.0,
+CCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OCC)cc2)c2ccccc21,0,0.0,
+CCCn1cc(SCC(=O)NCc2ccco2)c2ccccc21,0,0.0,
+CCCn1cc(SCC(=O)Nc2nnc(C)s2)c2ccccc21,0,0.0,
+CCCn1cc(SCC(N)=O)c2ccccc21,0,0.0,
+CCCn1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C,0,0.0,
+CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1,0,0.0,
+CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1,0,0.0,
+CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1OC,0,0.0,
+CCCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O,0,0.0,
+CCCn1cnc2cc(NCc3cccc(OC)c3)ccc21,1,100.0,1.0
+CCCn1cnc2cc(NCc3cccc(OC)c3O)ccc21,0,0.0,
+CCCn1cnc2cc(NCc3ccccn3)ccc21,0,0.0,
+CCCn1nc(-c2ccccc2)c2nc3ccccc3nc21,0,0.0,
+CCCn1nc(-c2nnc(-c3ccc(C)c(C)c3)o2)c2ccccc2c1=O,0,0.0,
+CCCn1nc(C(=O)N2CC(=O)Nc3ccccc32)c2ccccc2c1=O,0,0.0,
+CCCn1nc(C(=O)NCCN2CCOCC2)c2ccccc2c1=O,0,0.0,
+CCCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O,0,0.0,
+CCCn1nc(C(=O)NCc2ccccn2)c2ccccc2c1=O,0,0.0,
+CCCn1nc(C(=O)Nc2cc(C(=O)OC)ccc2C)c2ccccc2c1=O,0,0.0,
+CCCn1nc(C(=O)Nc2cccc(C(=O)OC)c2)c2ccccc2c1=O,0,0.0,
+CCCn1nc(CC(=O)O)c2ccccc2c1=O,0,0.0,
+CCCn1nc(NC(=O)CC(C)C)c2cc3ccccc3nc21,0,0.0,
+CCCn1nc(NC(=O)c2ccco2)c2cc3ccc(C)cc3nc21,0,0.0,
+CCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc21,0,0.0,
+CCCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21,0,0.0,
+CCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21,0,0.0,
+CCCn1nc(NS(C)(=O)=O)c2cc3cccc(C)c3nc21,0,0.0,
+CCCn1nc(Oc2nc(SC)nc(N(C)C)n2)ccc1=O,1,100.0,
+CCCn1nc2ccccc2c1P(=N)(N1CCOCC1)N1CCOCC1,0,0.0,
+CCCn1nc2ccccc2c1P(=O)(N1CCOCC1)N1CCOCC1,0,0.0,
+CCCn1ncc(C(=O)O)c1C,0,0.0,
+CCCn1nnc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)n1,0,0.0,
+CCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1,0,0.0,
+CCCn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1,0,0.0,
+CCCn1nnc(NC(=O)COc2ccc(Cl)cc2)n1,0,0.0,
+CCCn1nnc(NC(=O)COc2ccccc2Cl)n1,0,0.0,
+CCCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1,0,0.0,
+CCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1,0,0.0,
+CCCn1nnc(NC(=O)c2cc(Br)ccc2OC)n1,0,0.0,
+CCCn1nnc(NC(=O)c2cc3ccccc3o2)n1,0,0.0,
+CCCn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1,0,0.0,
+CCCn1nnc(NC(=O)c2ccc(Br)cc2)n1,0,0.0,
+CCCn1nnc(NC(=O)c2ccc(Cl)cc2Cl)n1,0,0.0,
+CCCn1nnc(NC(=O)c2ccc(OCC)c(Cl)c2)n1,0,0.0,
+CCCn1nnc(NC(=O)c2cccc(OCC(C)C)c2)n1,0,0.0,
+CCCn1nnc(NC(=O)c2cccc(OCC)c2)n1,0,0.0,
+CCCn1nnc(NC(=O)c2ccccc2Br)n1,0,0.0,
+CCCn1nnc(NC(=O)c2ccccc2Cl)n1,0,0.0,
+CCCn1nnc(NC(=O)c2ccco2)n1,0,0.0,
+CCCn1nnc(NC(=O)c2sc3ccccc3c2Cl)n1,0,0.0,
+CCCn1nnc(NCc2ccc(OCc3cccs3)c(OC)c2)n1,0,0.0,
+CCCn1nnnc1NC(=O)CSc1ccc(Cl)cc1,0,0.0,
+CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1,0,0.0,
+CCCn1nnnc1NCc1ccccc1OCc1cccs1,0,0.0,
+CCCn1nnnc1NCc1cccn1C,0,0.0,
+CCCn1nnnc1SCC(=O)N(C(C)C)C(C)C,0,0.0,
+CCCn1nnnc1SCC(=O)NCc1ccc(OC)cc1,0,0.0,
+CCCn1nnnc1SCC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CCCn1nnnc1SCC(=O)NCc1ccccc1,0,0.0,
+CCCn1nnnc1SCC(=O)NCc1cccs1,0,0.0,
+CCCn1nnnc1SCC(=O)Nc1ccc(F)cc1,0,0.0,
+CCCn1nnnc1SCC(=O)Nc1nnc(CC)s1,0,0.0,
+CCCn1nnnc1SCC(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+CCCn1nnnc1SCC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CCN(C#N)c1nc(N(C)C)nc(N(C)C)n1,0,0.0,
+CCN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1,1,100.0,0.0
+CCN(C(=O)C1CCCCC1)c1nnc(-c2cccnc2)s1,0,0.0,
+CCN(C(=O)CCN1C(=O)c2ccccc2C1=O)C1CCCCC1,0,0.0,
+CCN(C(=O)CCS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCO2,0,0.0,
+CCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1cc(OC)ccc1OC,0,0.0,
+CCN(C(=O)CCc1nc(-c2ccccc2F)no1)c1cc(OC)ccc1OC,0,0.0,
+CCN(C(=O)CN1CCCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCN(C(=O)CN1CCN(C)CC1)c1cccc2ccccc12,0,0.0,
+CCN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCN(C(=O)CN1CCN(c2ccc(OC)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCN(C(=O)CN1CCN(c2ccccc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCN(C(=O)CN1CCN(c2ccccc2OC)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCN(C(=O)COC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C1CCS(=O)(=O)C1,0,0.0,
+CCN(C(=O)COC(=O)c1c(-c2ccccc2)noc1C)C1CCS(=O)(=O)C1,0,0.0,
+CCN(C(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C1CCS(=O)(=O)C1,0,0.0,
+CCN(C(=O)COC(=O)c1cccnc1SC)C1CCS(=O)(=O)C1,0,0.0,
+CCN(C(=O)COC(=O)c1cnc(C)cn1)C1CCCCC1,0,0.0,
+CCN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(Cl)c1,0,0.0,
+CCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1cc(Cl)ccc1OC,0,0.0,
+CCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1cccc(Cl)c1,0,0.0,
+CCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1,0,0.0,
+CCN(C(=O)COc1ncnc2ccc(Br)cc12)C1CCS(=O)(=O)C1,0,0.0,
+CCN(C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12)C1CCS(=O)(=O)C1,0,0.0,
+CCN(C(=O)CSc1ccc2c(c1)OCCO2)C1CCS(=O)(=O)C1,0,0.0,
+CCN(C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccco1)c1cccc(C)c1,0,0.0,
+CCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)c1cccc(C)c1,0,0.0,
+CCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)c1ccccc1,0,0.0,
+CCN(C(=O)CSc1ncn[nH]1)c1cccc2ccccc12,0,0.0,
+CCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)C1CCS(=O)(=O)C1,0,0.0,
+CCN(C(=O)CSc1nnc(Cn2nnc3ccccc32)o1)c1nc(-c2ccccc2)cs1,0,0.0,
+CCN(C(=O)CSc1nncs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCN(C(=O)CSc1nnnn1-c1cc(C)ccc1OC)C1CCS(=O)(=O)C1,0,0.0,
+CCN(C(=O)Cc1c(C(=O)O)[nH]c2ccccc12)c1cc(OC)ccc1OC,1,100.0,0.0
+CCN(C(=O)Cc1cccs1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1,0,0.0,
+CCN(C(=O)Cc1cccs1)c1nnc(-c2cccnc2)s1,0,0.0,
+CCN(C(=O)Cn1c(=O)n2nc(CCn3nc(C)cc3C)nc2c2ccccc21)c1cccc(C)c1,0,0.0,
+CCN(C(=O)Cn1c(=O)oc2ccccc21)c1cccc(C(F)(F)F)c1,0,0.0,
+CCN(C(=O)c1c(-c2ccccc2)noc1C)c1ccccc1,0,0.0,
+CCN(C(=O)c1c(OC)cccc1OC)c1nnc(-c2cccnc2)s1,0,0.0,
+CCN(C(=O)c1cc(Cl)ccc1OC)C1CCCCC1,0,0.0,
+CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1,0,0.0,
+CCN(C(=O)c1cc2cc(OC)ccc2oc1=O)c1ccccc1,0,0.0,
+CCN(C(=O)c1cc2cc3ccc(C)cc3nc2o1)c1ccc(OC)cc1,0,0.0,
+CCN(C(=O)c1cc2cccc(OC)c2oc1=O)c1ccccc1,0,0.0,
+CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1,0,0.0,
+CCN(C(=O)c1cccc(F)c1)c1ccccc1C,0,0.0,
+CCN(C(=O)c1ccccc1Cl)c1ccccc1,0,0.0,
+CCN(C(=O)c1ccco1)c1nc(CC(=O)Nc2ccc(Cl)cc2)cs1,0,0.0,
+CCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1,0,0.0,
+CCN(C(=O)c1ccnc(C(C)(C)C)c1)c1ccccc1,0,0.0,
+CCN(C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12)c1ccccc1C,0,0.0,
+CCN(C(=O)c1cnc(N2CCN(c3ncccn3)CC2)c2ccccc12)c1cccc(Cl)c1,0,0.0,
+CCN(C(=O)c1cnc2scc(C)n2c1=O)c1ccccc1C,0,0.0,
+CCN(C(=O)c1coc(=O)c(Br)c1)c1ccc2c(c1)OCO2,0,0.0,
+CCN(C(C)=O)c1nc(CSc2nnc(NC(C)C)s2)cs1,0,0.0,
+CCN(C(C)=O)c1nnc(CSc2nc3ccccc3s2)s1,0,0.0,
+CCN(C)c1ccc(/C=N\n2nnnc2N)cc1,0,0.0,
+CCN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC,0,0.0,
+CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1,0,0.0,
+CCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(C)c1,0,0.0,
+CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,1,100.0,1.0
+CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1,0,0.0,
+CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1,1,100.0,
+CCN(C1CCCCC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O,0,0.0,
+CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1,0,0.0,
+CCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CCN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CCN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CCN(CC(=O)NC(C)C)C(=O)CCNC(=O)c1ccc(Cl)cc1,0,0.0,
+CCN(CC(=O)NC(C)C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1,0,0.0,
+CCN(CC(=O)NC)S(=O)(=O)c1ccc(Br)cc1,0,0.0,
+CCN(CC(=O)NC)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1,1,100.0,0.0
+CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1,0,0.0,
+CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)C(c1ccccc1)c1ccccc1,0,0.0,
+CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)COc1ccccc1-c1ccccc1,0,0.0,
+CCN(CC(=O)NC1CCS(=O)(=O)C1)c1nc(-c2ccccc2)nc2ccccc12,0,0.0,
+CCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1nc2ccccc2c(=O)[nH]1,1,100.0,0.0
+CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1,0,0.0,
+CCN(CC(=O)NCc1ccc(F)cc1)CC(O)COCc1cccc(OC)c1,0,0.0,
+CCN(CC(=O)NCc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CCN(CC(=O)NCc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C,0,0.0,
+CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc(C(C)=O)c1,0,0.0,
+CCN(CC(=O)NCc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cn1,0,0.0,
+CCN(CC(=O)NCc1cccs1)c1nnnn1-c1ccccc1,0,0.0,
+CCN(CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12)c1ccc2c(c1)OCO2,0,0.0,
+CCN(CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12)c1ccc2c(c1)OCO2,0,0.0,
+CCN(CC(=O)Nc1c(C(=O)OC)[nH]c2ccccc12)c1ccc2c(c1)OCO2,0,0.0,
+CCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1cc(C)ccc1OC,0,0.0,
+CCN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CCCCC1,0,0.0,
+CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1cc(C)on1,0,0.0,
+CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2c(C)c(C)ccc12,0,0.0,
+CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2cc(C)c(C)cc12,0,0.0,
+CCN(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCOCC2)cn1,0,0.0,
+CCN(CC(=O)Nc1ccc2c(c1)OCCO2)c1nc(-c2cccnc2)nc2ccccc12,0,0.0,
+CCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CCN(CC(=O)Nc1cccc(C(C)=O)c1)S(=O)(=O)c1ccc(OC)cc1,0,0.0,
+CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1,0,0.0,
+CCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)cc1,0,0.0,
+CCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1,0,0.0,
+CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CC2C=CC1C2,0,0.0,
+CCN(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl,0,0.0,
+CCN(CC(F)(F)C(F)F)S(=O)(=O)c1ccc(NC(=O)OC)cc1,0,0.0,
+CCN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1,0,0.0,
+CCN(CC)/C(=N/O)NC(=O)NS(=O)(=O)c1ccc(C)cc1,0,0.0,
+CCN(CC)C(=O)C(C)N(C#N)c1nc(NC(C)C)nc(NC(C)C)n1,0,0.0,
+CCN(CC)C(=O)C(C)N(C#N)c1nc(SC)nc(N(C)C)n1,0,0.0,
+CCN(CC)C(=O)C(C)OC(=O)COc1ccc(Cl)cc1C,1,100.0,
+CCN(CC)C(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl,0,0.0,
+CCN(CC)C(=O)C1=C(C)NC(=O)NC1c1ccccc1F,0,0.0,
+CCN(CC)C(=O)C1=C(C)Nc2nnnn2C1c1cccnc1,0,0.0,
+CCN(CC)C(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,0,0.0,
+CCN(CC)C(=O)C1CC(=O)OC1(C)C,0,0.0,
+CCN(CC)C(=O)C1CC(c2ccc(OC)cc2)=NO1,0,0.0,
+CCN(CC)C(=O)C1CCC(C)(C(=O)O)C1(C)C,0,0.0,
+CCN(CC)C(=O)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+CCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc3nsnc3c2)C1,0,0.0,
+CCN(CC)C(=O)C1CCCN(C/C(C)=C/c2ccccc2)C1,0,0.0,
+CCN(CC)C(=O)C1CCCN(C/C=C/c2ccccc2)C1,1,100.0,0.0
+CCN(CC)C(=O)C1CCCN(Cc2ccc(F)c(F)c2)C1,1,100.0,0.0
+CCN(CC)C(=O)C1CCCN(Cc2ccc(N(C)C)cc2)C1,0,0.0,
+CCN(CC)C(=O)C1CCCN(Cc2ccc(OC)c(C)c2)C1,0,0.0,
+CCN(CC)C(=O)C1CCCN(Cc2ccc(OC)c(C)c2C)C1,0,0.0,
+CCN(CC)C(=O)C1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1,0,0.0,
+CCN(CC)C(=O)C1CCCN(c2ncnc3c2cnn3-c2cccc(C)c2)C1,0,0.0,
+CCN(CC)C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21,0,0.0,
+CCN(CC)C(=O)C1CCN(CC2CC=CCC2)CC1,0,0.0,
+CCN(CC)C(=O)C1CCN(Cc2ccc(Br)cc2)CC1,0,0.0,
+CCN(CC)C(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1,0,0.0,
+CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)CC1,0,0.0,
+CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1,0,0.0,
+CCN(CC)C(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2C)CC1,0,0.0,
+CCN(CC)C(=O)CC(c1ccc(F)cc1)c1ccco1,0,0.0,
+CCN(CC)C(=O)CCC(=O)Nc1ccc(C(=O)OC)cc1,0,0.0,
+CCN(CC)C(=O)CCCOc1ccc(Cl)cc1Cl,0,0.0,
+CCN(CC)C(=O)CN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1,0,0.0,
+CCN(CC)C(=O)CN(C#N)c1nc(OC)nc(N(C)C)n1,0,0.0,
+CCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CCN(CC)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O,0,0.0,
+CCN(CC)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O,0,0.0,
+CCN(CC)C(=O)CN1C(=O)C2(OCC(C)(c3ccccc3)CO2)c2ccccc21,0,0.0,
+CCN(CC)C(=O)CN1C(=O)C2CC=C(Cl)CC2C1=O,0,0.0,
+CCN(CC)C(=O)CN1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1,0,0.0,
+CCN(CC)C(=O)CN1CCN(c2ccccc2F)CC1,0,0.0,
+CCN(CC)C(=O)CN1CCN(c2ncccn2)CC1,0,0.0,
+CCN(CC)C(=O)COC(=O)c1ccc(O)cc1,0,0.0,
+CCN(CC)C(=O)COc1ccc(-c2ccccc2)cc1,0,0.0,
+CCN(CC)C(=O)COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,1,100.0,1.0
+CCN(CC)C(=O)COc1ccc(Br)cc1Cl,0,0.0,
+CCN(CC)C(=O)COc1ccc(CC(=O)O)cc1OC,0,0.0,
+CCN(CC)C(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1,0,0.0,
+CCN(CC)C(=O)COc1ccc2oc(C)c(C(=O)OC)c2c1,0,0.0,
+CCN(CC)C(=O)COc1cccc2ccccc12,0,0.0,
+CCN(CC)C(=O)COn1c(SCC(=O)N(CC)CC)nc2ccccc2c1=O,0,0.0,
+CCN(CC)C(=O)CP(=O)(c1ccccc1)c1ccccc1,0,0.0,
+CCN(CC)C(=O)CSC(=Nc1ccccc1F)NC#N,0,0.0,
+CCN(CC)C(=O)CSC1=C(C#N)C(c2ccco2)C(C(=O)OCCOC)=C(C)N1,0,0.0,
+CCN(CC)C(=O)CSC1=C(C#N)C(c2cccs2)C=C(C)N1,0,0.0,
+CCN(CC)C(=O)CSCC(=O)NCc1ccc(C(=O)OC)cc1,0,0.0,
+CCN(CC)C(=O)CSCC(=O)Nc1ccccc1,0,0.0,
+CCN(CC)C(=O)CSc1ccccc1N,0,0.0,
+CCN(CC)C(=O)CSc1nc(C)cc(-c2cccs2)c1C#N,0,0.0,
+CCN(CC)C(=O)CSc1nc(O)cc(=O)n1-c1ccccc1OC,0,0.0,
+CCN(CC)C(=O)CSc1nc(O)cc(=O)n1C,0,0.0,
+CCN(CC)C(=O)CSc1nc(O)cc(=O)n1CC,0,0.0,
+CCN(CC)C(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc2c(c1)OCO2)OCO3,0,0.0,
+CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1,0,0.0,
+CCN(CC)C(=O)CSc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1,0,0.0,
+CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1OC,0,0.0,
+CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CC1CCCCC1,0,0.0,
+CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NCc1ccc(F)cc1,0,0.0,
+CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1OC,0,0.0,
+CCN(CC)C(=O)CSc1nc2cccnc2n1-c1ccccc1OC,0,0.0,
+CCN(CC)C(=O)CSc1nc2ncc(Br)cc2[nH]1,0,0.0,
+CCN(CC)C(=O)CSc1nc2ncc(Cl)cc2[nH]1,0,0.0,
+CCN(CC)C(=O)CSc1nc2ncccc2[nH]1,0,0.0,
+CCN(CC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0.0,
+CCN(CC)C(=O)CSc1ncnc2c(-c3cccs3)nsc12,0,0.0,
+CCN(CC)C(=O)CSc1ncnc2c1cnn2Cc1ccccc1,0,0.0,
+CCN(CC)C(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1,0,0.0,
+CCN(CC)C(=O)CSc1ncnc2c1nnn2-c1ccc(OC)cc1,0,0.0,
+CCN(CC)C(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)o1,0,0.0,
+CCN(CC)C(=O)CSc1nnc(-c2cc3ccccc3cc2O)n1CC,1,100.0,0.0
+CCN(CC)C(=O)CSc1nnc(-c2ccc(F)cc2)n1N,0,0.0,
+CCN(CC)C(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2)o1,0,0.0,
+CCN(CC)C(=O)CSc1nnc(-c2cccc(OC)c2)o1,0,0.0,
+CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1,0,0.0,
+CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1N,1,100.0,
+CCN(CC)C(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)c(C)c1,0,0.0,
+CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1,0,0.0,
+CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,0,0.0,
+CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1,0,0.0,
+CCN(CC)C(=O)CSc1nnc(-n2nc(C)cc2C)c2ccccc12,0,0.0,
+CCN(CC)C(=O)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1,0,0.0,
+CCN(CC)C(=O)CSc1nnc(CCN)o1,0,0.0,
+CCN(CC)C(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1,0,0.0,
+CCN(CC)C(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1,0,0.0,
+CCN(CC)C(=O)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1,0,0.0,
+CCN(CC)C(=O)CSc1nnc([C@H](CCSC)NC(=O)OC(C)(C)C)o1,0,0.0,
+CCN(CC)C(=O)CSc1nnc([C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1,0,0.0,
+CCN(CC)C(=O)CSc1nnc2sc3ccccc3n12,0,0.0,
+CCN(CC)C(=O)CSc1nsc(SCC(=O)N(CC)CC)c1C#N,0,0.0,
+CCN(CC)C(=O)Cc1cc(C(=O)O)c2ccccc2n1,0,0.0,
+CCN(CC)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)n1CC(=O)N(CC)CC,0,0.0,
+CCN(CC)C(=O)Cn1c(=O)n(Cc2ccccc2Cl)c2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCN(CC)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCN(CC)C(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+CCN(CC)C(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O,0,0.0,
+CCN(CC)C(=O)Cn1nc(-c2ccccc2O)nc1SCC(=O)Nc1ccc(OC)cc1,0,0.0,
+CCN(CC)C(=O)Cn1ncc2c1-c1ccccc1OC2,0,0.0,
+CCN(CC)C(=O)Cn1nnc(-c2ccc(C)o2)n1,0,0.0,
+CCN(CC)C(=O)N1CCC(NC(=O)Cc2ccccc2)CC1,0,0.0,
+CCN(CC)C(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1,0,0.0,
+CCN(CC)C(=O)N1CCC(NC(=O)c2ccccc2)CC1,0,0.0,
+CCN(CC)C(=O)N1CCN(C(=O)c2ccc(C)cn2)CC1,0,0.0,
+CCN(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1,0,0.0,
+CCN(CC)C(=O)N1c2ccccc2CC(N(CC)CC)c2ccccc21,0,0.0,
+CCN(CC)C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1,0,0.0,
+CCN(CC)C(=O)Nc1ccc2c(c1)nnn2C,0,0.0,
+CCN(CC)C(=O)Nc1cnc2ccccc2c1,0,0.0,
+CCN(CC)C(=O)Oc1ccc(Cl)c2ccccc12,0,0.0,
+CCN(CC)C(=O)Oc1ccc(NC(C)=O)cc1,0,0.0,
+CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2c1,0,0.0,
+CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1,0,0.0,
+CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,0,0.0,
+CCN(CC)C(=O)Oc1ccccc1NC(C)=O,0,0.0,
+CCN(CC)C(=O)Sc1cccc2cccnc12,0,0.0,
+CCN(CC)C(=O)[n+]1ccc(OC)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0,0.0,
+CCN(CC)C(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1=O,0,0.0,
+CCN(CC)C(=O)c1cc(-c2ccc(Br)cc2)on1,0,0.0,
+CCN(CC)C(=O)c1cc(-c2ccccc2OC)on1,0,0.0,
+CCN(CC)C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,0,0.0,
+CCN(CC)C(=O)c1cc2c(=O)n3ccccc3nc2s1,0,0.0,
+CCN(CC)C(=O)c1cc2cc(Br)ccc2oc1=O,0,0.0,
+CCN(CC)C(=O)c1cc2sc3ccccc3c2s1,0,0.0,
+CCN(CC)C(=O)c1ccc(C)c(Br)c1,0,0.0,
+CCN(CC)C(=O)c1ccc(COc2ccccc2Br)o1,0,0.0,
+CCN(CC)C(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,0,0.0,
+CCN(CC)C(=O)c1ccc(N2C(=O)C3CC=C(Cl)CC3C2=O)cc1,0,0.0,
+CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnnn2-c2cc(OC)ccc2OC)cc1,0,0.0,
+CCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1,0,0.0,
+CCN(CC)C(=O)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1,0,0.0,
+CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,0,0.0,
+CCN(CC)C(=O)c1ccc(O)c(OC)c1,0,0.0,
+CCN(CC)C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S+]2[O-],0,0.0,
+CCN(CC)C(=O)c1cccc(-c2ccc(OC)cc2)c1,1,100.0,0.0
+CCN(CC)C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,0,0.0,
+CCN(CC)C(=O)c1cn(C)c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O,0,0.0,
+CCN(CC)C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12,0,0.0,
+CCN(CC)C(=O)c1csc(Nc2ccc(C)cc2)n1,0,0.0,
+CCN(CC)C(=O)c1n[nH]c(=O)c2ccccc12,0,0.0,
+CCN(CC)C(=O)c1sc(N)c(C#N)c1C,0,0.0,
+CCN(CC)C(=O)c1sc(NC(=O)Cc2cccs2)c(C#N)c1C,0,0.0,
+CCN(CC)C(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C,0,0.0,
+CCN(CC)C(=O)c1sc(NC(=O)c2ccoc2C)c(C(=O)OC)c1C,0,0.0,
+CCN(CC)C(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C,0,0.0,
+CCN(CC)C(=O)c1sc2nc(-c3ccccn3)[nH]c(=O)c2c1C,0,0.0,
+CCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(-c3cccs3)c2c1N,0,0.0,
+CCN(CC)C(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C,0,0.0,
+CCN(CC)C(=O)c1scc2c1OCCO2,0,0.0,
+CCN(CC)C(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1,0,0.0,
+CCN(CC)C(NC(=O)c1ccccc1)C(=O)c1ccccc1,0,0.0,
+CCN(CC)C(c1ccc(C)cc1)c1nnnn1C1CCCCC1,0,0.0,
+CCN(CC)C(c1ccc(F)cc1)c1nnnn1C1CCCCC1,0,0.0,
+CCN(CC)C1=CC(=O)OC12CCCCC2,0,0.0,
+CCN(CC)C1CC(=O)N(c2cccc(C)c2)C1=O,0,0.0,
+CCN(CC)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CCN(CC)CC#CC(C)OCOCC#CCOC,0,0.0,
+CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,1,100.0,1.0
+CCN(CC)CC(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)C1CCCCC1,0,0.0,
+CCN(CC)CC(=O)Nc1c(Br)ccc2c1OCO2,0,0.0,
+CCN(CC)CC(=O)Nc1c(C)cc(C(C)(C)C)cc1C,0,0.0,
+CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C,0,0.0,
+CCN(CC)CC(=O)Nc1c(C)cccc1C,0,0.0,
+CCN(CC)CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,0,0.0,
+CCN(CC)CC(=O)Nc1ccc(-c2nc3cc(NC(=O)CN(CC)CC)ccc3o2)cc1,0,0.0,
+CCN(CC)CC(=O)Nc1ccc(C)cc1Br,0,0.0,
+CCN(CC)CC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2,0,0.0,
+CCN(CC)CC(=O)c1c[nH]c2ccc(C)cc12,0,0.0,
+CCN(CC)CC(=O)c1c[nH]c2ccccc12,0,0.0,
+CCN(CC)CC(=O)c1ccc(-c2ccccc2)cc1,0,0.0,
+CCN(CC)CC(=O)n1c2c(c3ccccc31)CCCC2,0,0.0,
+CCN(CC)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CCN(CC)CC(C)CNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1,0,0.0,
+CCN(CC)CC(O)COC(=O)C(O)(c1ccccc1)C1CCCCC1,1,100.0,1.0
+CCN(CC)CC(O)COc1ccccc1C(=O)CCc1ccccc1,0,0.0,
+CCN(CC)CC(O)Cn1c2ccccc2c2ccccc21,0,0.0,
+CCN(CC)CCC(=O)NC(C)(C)Cc1ccc(O)cc1,0,0.0,
+CCN(CC)CCCC(C)N=C(c1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CCN(CC)CCCC(C)NC1=NCCCCC1,0,0.0,
+CCN(CC)CCCC1(CN)OCCc2ccccc21,0,0.0,
+CCN(CC)CCCCCOc1ccccc1OC,0,0.0,
+CCN(CC)CCCCOc1ccccc1OC,0,0.0,
+CCN(CC)CCCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1,1,100.0,1.0
+CCN(CC)CCCN(C(C)=O)c1nc(-c2cc(OC)ccc2OC)cs1,0,0.0,
+CCN(CC)CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccc(F)cc1,0,0.0,
+CCN(CC)CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccccc1,0,0.0,
+CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccc(F)cc1,0,0.0,
+CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1,0,0.0,
+CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1OC,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2c(C)nc3ccccn23)C1c1ccc(C)o1,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cc(C)ccc2C)C1c1cccnc1,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)C1c1ccccn1,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)C1c1ccccn1,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(Cl)c2)C1c1ccco1,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)C1c1ccco1,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)CC(C)O3)C1c1cccnc1,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)CC(C)O3)C1c1ccncc1,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)C1c1ccc(C)o1,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)C1c1ccco1,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCO3)C1c1ccccn1,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1cc(OC)ccc1OC,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccn1,0,0.0,
+CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)C1c1ccncc1,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)C1c1ccncc1,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccn1,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccc(C)o1,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccco1,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1cccs1,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cc(OC)ccc1OC,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(C)o1,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(OC(C)C)cc1,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccn1,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)C1c1ccc(C)o1,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)C1c1ccco1,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)cc1OC,0,0.0,
+CCN(CC)CCCN1C(=O)C(O)=C(C(C)=O)C1c1cccc(OC)c1,0,0.0,
+CCN(CC)CCCN1C(=O)CSC1c1ccc2c(c1)OCO2,0,0.0,
+CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cc(OC)ccc1OC,1,100.0,0.0
+CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(OC)c1OC,0,0.0,
+CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccnc1,0,0.0,
+CCN(CC)CCCN=C(C)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O,0,0.0,
+CCN(CC)CCCN=C(C)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCN(CC)CCCN=C(C)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCN(CC)CCCN=Cc1c(O)n(-c2cccc(C)c2C)c(=O)[nH]c1=O,0,0.0,
+CCN(CC)CCCN=Cc1c(O)n(-c2ccccc2F)c(=O)[nH]c1=O,1,100.0,0.0
+CCN(CC)CCCN=Cc1c(O)n(CCc2ccc(F)cc2)c(=O)[nH]c1=O,0,0.0,
+CCN(CC)CCCN=Cc1c(O)n(CCc2ccc(OC)c(OC)c2)c(=O)[nH]c1=O,0,0.0,
+CCN(CC)CCCN=Cc1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O,0,0.0,
+CCN(CC)CCCNC(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(F)cc1,0,0.0,
+CCN(CC)CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1,0,0.0,
+CCN(CC)CCCNC(=O)C1c2ccccc2C(=O)N(C)C1c1ccc(OC)cc1,0,0.0,
+CCN(CC)CCCNC(=O)C1c2ccccc2C(=O)N1Cc1ccc(C)cc1,0,0.0,
+CCN(CC)CCCNC(=O)C1c2ccccc2Oc2ccccc21,1,100.0,1.0
+CCN(CC)CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,0,0.0,
+CCN(CC)CCCNC(=O)CC1Sc2ccccc2NC1=O,0,0.0,
+CCN(CC)CCCNC(=O)Cc1c(C(=O)O)n(C)c2ccccc12,0,0.0,
+CCN(CC)CCCNC(=O)Cn1cc2c(n1)CCC(C)C2,0,0.0,
+CCN(CC)CCCNC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21,0,0.0,
+CCN(CC)CCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)O,0,0.0,
+CCN(CC)CCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2,0,0.0,
+CCN(CC)CCCNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O,1,100.0,1.0
+CCN(CC)CCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,1,100.0,1.0
+CCN(CC)CCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1,0,0.0,
+CCN(CC)CCCNC(=O)c1cc(-c2ccc(O)cc2)on1,0,0.0,
+CCN(CC)CCCNC(=O)c1cc(-c2cccc(Cl)c2)on1,0,0.0,
+CCN(CC)CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,1,100.0,0.0
+CCN(CC)CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,0,0.0,
+CCN(CC)CCCNC(=O)c1ccccc1C,0,0.0,
+CCN(CC)CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O,0,0.0,
+CCN(CC)CCCNC(=O)c1cn(CCOC)c(=O)c2c1c1ccccc1n2C,0,0.0,
+CCN(CC)CCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12,0,0.0,
+CCN(CC)CCCNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc12,0,0.0,
+CCN(CC)CCCNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc12,0,0.0,
+CCN(CC)CCCNC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12,0,0.0,
+CCN(CC)CCCNC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C,0,0.0,
+CCN(CC)CCCNC(CC(=O)O)C(=O)O,0,0.0,
+CCN(CC)CCCNC1CCS(=O)(=O)C1,0,0.0,
+CCN(CC)CCCNS(=O)(=O)c1ccc(OC)cc1,0,0.0,
+CCN(CC)CCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2,0,0.0,
+CCN(CC)CCCNc1nc2ccccc2[nH]1,0,0.0,
+CCN(CC)CCCNc1nnc(C)c(=O)[nH]1,0,0.0,
+CCN(CC)CCCNc1oc(-c2ccc(OC)c(OC)c2)nc1C#N,0,0.0,
+CCN(CC)CCCNc1oc(-c2cccc(Cl)c2)nc1C#N,0,0.0,
+CCN(CC)CCCOc1nc(C)nc2c1oc1ccccc12,0,0.0,
+CCN(CC)CCCn1c(=S)[nH]c2cc(Cl)ccc2c1=O,0,0.0,
+CCN(CC)CCCn1c(=S)[nH]c2ccc(Cl)cc2c1=O,1,100.0,0.0
+CCN(CC)CCCn1c(=S)[nH]c2ccccc2c1=O,0,0.0,
+CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2,1,100.0,1.0
+CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2,0,0.0,
+CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1cccc(Cl)c1)C(C#N)=C(N)O2,1,100.0,0.0
+CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1ccccc1)C(C#N)=C(N)O2,0,0.0,
+CCN(CC)CCN(CC)Cc1ccccc1Br,1,100.0,0.0
+CCN(CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)NC1CCCCC1,0,0.0,
+CCN(CC)CCN/C(C)=C(\C#N)C(N)=O,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)C1c1ccc(OC)cc1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)C1c1cccc(OC)c1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)C1c1ccccc1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)C1c1ccccc1OC,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)C1c1cccnc1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)C1c1ccco1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)C1c1cccnc1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)C1c1ccncc1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)C1c1ccncc1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)C1c1cccnc1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)C1c1ccncc1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)C1c1ccncc1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(OC)c2)C1c1ccccn1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)C1c1ccco1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2)C1c1ccncc1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccccn1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccc1F,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)C1c1ccccc1,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)C1c1ccccc1F,0,0.0,
+CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)C1c1cccnc1,0,0.0,
+CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1cccnc1,0,0.0,
+CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccccn1,0,0.0,
+CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccn1,0,0.0,
+CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(C)o1,0,0.0,
+CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccn1,0,0.0,
+CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)C1c1cccnc1,0,0.0,
+CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)c(OC)c1,0,0.0,
+CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)C1c1ccccc1,0,0.0,
+CCN(CC)CCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O,1,100.0,0.0
+CCN(CC)CCN1C(=O)Cn2c(C)c(C)c3cccc1c32,0,0.0,
+CCN(CC)CCN1C(=O)c2ccccc2NC1c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCN(CC)CCN1C(=O)c2ccccc2NC1c1cccc(F)c1,0,0.0,
+CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccncc1,0,0.0,
+CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(C)cc1,0,0.0,
+CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(F)cc1,0,0.0,
+CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(Br)c1,0,0.0,
+CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1,0,0.0,
+CCN(CC)CCN=C(C)c1c(O)n(-c2ccccc2OC)c(=O)[nH]c1=O,0,0.0,
+CCN(CC)CCN=C1CCCc2ccccc2N1,0,0.0,
+CCN(CC)CCN=CC1=C(O)CNC1=O,0,0.0,
+CCN(CC)CCN=Cc1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCN(CC)CCN=Cc1c(O)n(CCC2=CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CCN(CC)CCN=Cc1c(O)n(CCc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCN(CC)CCNC(=O)C(C(=O)c1ccccc1)n1ccccc1=O,0,0.0,
+CCN(CC)CCNC(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(F)cc1,0,0.0,
+CCN(CC)CCNC(=O)C1CCC(=O)N1CCc1ccccc1,0,0.0,
+CCN(CC)CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+CCN(CC)CCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3C12,0,0.0,
+CCN(CC)CCNC(=O)C1c2ccccc2C(=O)N(C)C1c1cn(C)c2ccccc12,0,0.0,
+CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c([nH]c3ccc(OC)cc32)c1=O,0,0.0,
+CCN(CC)CCNC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O,0,0.0,
+CCN(CC)CCNC(=O)CCc1n[nH]c(=O)c2ccccc12,0,0.0,
+CCN(CC)CCNC(=O)CCc1nn(C)c(=O)c2ccccc12,0,0.0,
+CCN(CC)CCNC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,0,0.0,
+CCN(CC)CCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(C)cc2)oc1C,0,0.0,
+CCN(CC)CCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(Cl)cc2)oc1C,0,0.0,
+CCN(CC)CCNC(=O)C[S+]([O-])Cc1nc(-c2ccccc2Cl)oc1C,0,0.0,
+CCN(CC)CCNC(=O)Cc1c(C(=O)O)n(C)c2ccccc12,0,0.0,
+CCN(CC)CCNC(=O)Cc1c(C(=O)O)n(CC)c2ccccc12,0,0.0,
+CCN(CC)CCNC(=O)Cc1nn(CC)c(=O)c2ccccc12,0,0.0,
+CCN(CC)CCNC(=O)Cn1c(-c2ccccn2)nc2ccccc21,0,0.0,
+CCN(CC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O,0,0.0,
+CCN(CC)CCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O,0,0.0,
+CCN(CC)CCNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O,0,0.0,
+CCN(CC)CCNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O,0,0.0,
+CCN(CC)CCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O,0,0.0,
+CCN(CC)CCNC(=O)NC1CCCCC1,0,0.0,
+CCN(CC)CCNC(=O)c1c(C)oc2cc(Br)c(OC)cc12,0,0.0,
+CCN(CC)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2,0,0.0,
+CCN(CC)CCNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O,0,0.0,
+CCN(CC)CCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,0,0.0,
+CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC,0,0.0,
+CCN(CC)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,1,100.0,0.0
+CCN(CC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,0,0.0,
+CCN(CC)CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,0,0.0,
+CCN(CC)CCNC(=O)c1ccc(N)cc1,0,0.0,
+CCN(CC)CCNC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1,0,0.0,
+CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+CCN(CC)CCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1,0,0.0,
+CCN(CC)CCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1,0,0.0,
+CCN(CC)CCNC(=O)c1ccccc1C(=O)c1ncc[nH]1,0,0.0,
+CCN(CC)CCNC(=O)c1ccccc1N,0,0.0,
+CCN(CC)CCNC(=O)c1ccccn1,0,0.0,
+CCN(CC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O,0,0.0,
+CCN(CC)CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O,0,0.0,
+CCN(CC)CCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C,0,0.0,
+CCN(CC)CCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C,1,100.0,1.0
+CCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CCN(CC)CCNc1ccnc2cc(Cl)ccc12,0,0.0,
+CCN(CC)CCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2,0,0.0,
+CCN(CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccc(Cl)cc1Cl,0,0.0,
+CCN(CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1,0,0.0,
+CCN(CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C(/C)Cl,0,0.0,
+CCN(CC)CCNc1nc2ccccc2n1C,0,0.0,
+CCN(CC)CCNc1ncnc2c1[nH]c1ccc(OC)cc12,0,0.0,
+CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1,1,100.0,1.0
+CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,1,100.0,1.0
+CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1,1,100.0,1.0
+CCN(CC)CCOC(=O)C1(c2ccccc2)CCOCC1,1,100.0,1.0
+CCN(CC)CCOC(=O)C12CC3CC(CC(C3)C1)C2,1,100.0,1.0
+CCN(CC)CCOC(=O)c1c(C)n(C)c2ccc(OC)cc12,0,0.0,
+CCN(CC)CCOC(=O)c1c(C)oc2ccc(O)cc12,1,100.0,1.0
+CCN(CC)CCOC(=O)c1c(C)oc2ccc(OC)cc12,1,100.0,1.0
+CCN(CC)CCOC(=O)c1cc2cc(COC)ccc2o1,0,0.0,
+CCN(CC)CCOC(=O)c1ccc(N=CC2=C(O)CC(C)(C)CC2=O)cc1,0,0.0,
+CCN(CC)CCOC(=O)c1ccc(NC(=O)COc2cc(=O)n(CC)c3ccccc23)cc1,1,100.0,1.0
+CCN(CC)CCOC(=O)c1cccc(Br)c1,1,100.0,1.0
+CCN(CC)CCOC(=O)c1cccc(Cl)c1,0,0.0,
+CCN(CC)CCOC(=O)c1cccc(OC)c1,0,0.0,
+CCN(CC)CCOc1c(Br)ccc2c1sc1nc3n(c(=O)c12)CCC3,1,100.0,1.0
+CCN(CC)CCOc1cc2c(nn1)Oc1ccccc1N2C,0,0.0,
+CCN(CC)CCOc1ccc(Br)cc1,0,0.0,
+CCN(CC)CCOc1cccc(C(C)C)c1,1,100.0,1.0
+CCN(CC)CCOc1nc(C)nc2c1oc1ccccc12,0,0.0,
+CCN(CC)CCOc1ncnc2c1oc1ccccc12,1,100.0,1.0
+CCN(CC)CCSc1nc(O)c(-c2ccccc2)c(=O)[nH]1,0,0.0,
+CCN(CC)CCSc1nc(O)c(C(C)C)c(=O)[nH]1,0,0.0,
+CCN(CC)CCn1c(=N)n(CCO)c2ccccc21,0,0.0,
+CCN(CC)CCn1c(=S)[nH]c2cc(Cl)ccc2c1=O,0,0.0,
+CCN(CC)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,0,0.0,
+CCN(CC)CCn1c(=S)[nH]c2ccc(Cl)cc2c1=O,0,0.0,
+CCN(CC)CCn1c(=S)[nH]c2ccccc2c1=O,0,0.0,
+CCN(CC)CCn1c(NCc2ccc(OC)cc2)nc2ccccc21,0,0.0,
+CCN(CC)CCn1c(NCc2cccc(OC)c2)nc2ccccc21,0,0.0,
+CCN(CC)CCn1c(O)c(N=O)c2ccccc21,0,0.0,
+CCN(CC)CCn1c(OC)cc(=O)[nH]c1=O,1,100.0,0.0
+CCN(CC)CCn1c(SCC(=O)NCc2ccco2)nc2c(sc3ccccc32)c1=O,0,0.0,
+CCN(CC)CCn1c2ccccc2c2cnc(N=CN(C)C)c(C#N)c21,0,0.0,
+CCN(CC)CCn1c2ccccc2c2nc(C)sc21,0,0.0,
+CCN(CC)CCn1cnc2c([nH]c3cccc(OC)c32)c1=O,0,0.0,
+CCN(CC)CCn1nc(C)nc1-c1ccccc1O,0,0.0,
+CCN(CC)CP(=O)(c1ccccc1)c1ccccc1,0,0.0,
+CCN(CC)Cc1c(C(=O)OC(C)C)nnn1-c1nonc1N,0,0.0,
+CCN(CC)Cc1c(C(=O)OC)nnn1-c1nonc1N,0,0.0,
+CCN(CC)Cc1c(C)[nH]c2ccc(OC)cc2c1=O,0,0.0,
+CCN(CC)Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12,0,0.0,
+CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12,0,0.0,
+CCN(CC)Cc1c[nH]c2c(C(=O)OC)cccc12,0,0.0,
+CCN(CC)Cc1c[nH]c2ccccc12,0,0.0,
+CCN(CC)Cc1cc(C(C)=O)ccc1OCC(C)C,0,0.0,
+CCN(CC)Cc1cc(CC(C(N)=O)C(N)=O)ccc1OC,1,100.0,0.0
+CCN(CC)Cc1cc2ccccc2c2c1COC2,1,100.0,1.0
+CCN(CC)Cc1csc(C(N)=O)c1,0,0.0,
+CCN(CC)Cc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2,0,0.0,
+CCN(CC)P(=O)(/C(Cl)=C\Nc1c(C)n(C)n(-c2ccccc2)c1=O)N(CC)CC,0,0.0,
+CCN(CC)P(=O)(C(NC(=O)OC)C(F)(F)C(F)(F)C(F)(F)C(F)F)N(CC)CC,0,0.0,
+CCN(CC)P(=O)(Oc1cccc(C)c1)N(CC)CC,0,0.0,
+CCN(CC)P1(=O)OC(c2cc(OC)c(OC)c(OC)c2)=Nc2c1c(C)nn2-c1ccccc1,0,0.0,
+CCN(CC)S(=O)(=O)C1CCS(=O)(=O)C1,0,0.0,
+CCN(CC)S(=O)(=O)CCP(=O)(O)CCS(=O)(=O)N(CC)CC,0,0.0,
+CCN(CC)S(=O)(=O)CCP(=O)(O)CN1CCCCC1,0,0.0,
+CCN(CC)S(=O)(=O)CCP(=O)(O)CN1CCOCC1,0,0.0,
+CCN(CC)S(=O)(=O)N1CCC(C(=O)NC(C)CCc2ccccc2)CC1,0,0.0,
+CCN(CC)S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1,0,0.0,
+CCN(CC)S(=O)(=O)N1CCC(C(=O)NC2CCCc3ccccc32)CC1,0,0.0,
+CCN(CC)S(=O)(=O)N1CCC(C(=O)NCC2COc3ccccc3O2)CC1,0,0.0,
+CCN(CC)S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1,0,0.0,
+CCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1,0,0.0,
+CCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(-c2nnc(-c3ccc(Br)cc3)o2)ccc1Cl,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(Br)c(C)cc1OC,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(Br)ccc1OC,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1C,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)ccc1C,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1OC,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccn2)ccc1C,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccncc2)ccc1Cl,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nncs2)c(Cl)cc1Cl,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(C(=O)O)ccc1Cl,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)ccc1F,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccccc2OC)ccc1OC,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(C(=O)n2cccn2)c(Cl)cc1Cl,0,0.0,
+CCN(CC)S(=O)(=O)c1cc(C)c(C)cc1Br,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3c4ccccc4CC3C)o2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)o2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3nc(C)cs3)o2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCc3nnc(-c4ccc(C)cc4)o3)o2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(-c2nnc3sc4cccc(C)c4n23)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(-c2nnco2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(/C(O)=C(\C#N)c2nc3ccccc3n2C)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2ccccc2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(Br)c(OC)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)C(C#N)c2ccccn2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SC)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2OC)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)OC)n2C)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)OC2CCCCC2CN(C)C)cc1,1,100.0,0.0
+CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)CCC2=O)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(C2CNC(=O)C2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCCC2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CCCO2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(C)s2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccnc2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCC(C)C)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCCN2CCOCC2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)/C(C#N)=C(\C)N)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(N=Cc2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(OC)c2ccccc2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2c(OC)cccc2OC)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)sc3ccccc32)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc3c2C(=O)N(CCOC)C3)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC2CCCc3ccccc32)nc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC2c3ccccc3C(=O)N2CCN2CCOCC2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NC2c3ncccc3C(=O)N2Cc2ccccc2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NCc2ccccc2)nc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1,1,100.0,0.0
+CCN(CC)S(=O)(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N(C)Cc2ccccc2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(OC(C)C)nc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C(C)=O)c2)nc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCC3=CCCCC3)c(=O)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCN3CCCCC3C)c(=O)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCN3CCCCCC3)c(=O)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccccc3)CC1)cn2C,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCCN(C)c1ccccc1)cn2C,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCOC)cn2C,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2c(c1)c(C(=O)O)cn2C,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)N1CCc3ccccc31)n2C,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCc1c(C)noc1C)n2C,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)NC1CC1)n2-c1ccccc1OC,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1nc3ccsc3c(=O)[nH]1)n2CC,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCn1nnc3ccccc3c1=O)n2CC,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2nc(COC(=O)c3n[nH]c4ccccc34)[nH]c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnnn3-c3ccc(O)cc3)[nH]c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2nnn(OCC(=O)Nc3cccc(C#N)c3)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N3CCCCCC3)c(C)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N3CCOCC3)c(C)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC(C)C)c(C)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCC3COc4ccccc4O3)c(C)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(OC)cc3OC)c(C)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2oc(SCC3CN=C(c4ccc(OC)cc4)S3)nc2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1ccc2oc(SCc3ccc(F)cc3)nc2c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nc3n(n2)Cc2ccccc2-3)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(C(=O)c3ccc(C(F)(F)F)cc3)o2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC(C)C#N)n2Cc2ccccc2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC(C)C(=O)NCCC3=CCCCC3)o2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC#N)n2Cc2ccccc2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC)n2CCc2ccccc2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCC3=CCCCC3)n2N)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n(C)c3C)o2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n(C4CC4)c3C)o2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2C)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(N)=O)n2CCc2ccccc2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCCC(=O)c3ccc(F)cc3)o2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCCC(=O)c3ccccc3)o2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccc(Cl)cc3)o2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccccc3)o2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccccc3C)o2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2C)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nnc(-c4cccs4)o3)n2N)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(O)CC2C(=O)O)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)NC2=NCCS2)C(C)C)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)Nc2nnc(C3CC3)s2)C(C)C)c1,1,100.0,0.0
+CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)NCc2ccccc2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCN2CCOCC2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nncs2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3nc(C)sc3n2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cccnc2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc2c(N(C)C)cccc12,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc2nonc12,0,0.0,
+CCN(CC)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CCN(CC)S(=O)(=O)c1ccccc1/C=N\O,0,0.0,
+CCN(CC)S(=O)(=O)c1csc(C(=O)NC2CCCCC2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1csc(C(=O)NCc2ccccc2)c1,0,0.0,
+CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccn2)c1,0,0.0,
+CCN(CC)c1c(-c2ccccc2)c2cc(C)ccc2[nH]c1=O,0,0.0,
+CCN(CC)c1cc(Oc2ccccc2)ncn1,0,0.0,
+CCN(CC)c1cc2nonc2c2nonc12,0,0.0,
+CCN(CC)c1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)cc1,0,0.0,
+CCN(CC)c1ccc(-c2nc3cnccc3n2C)cc1,1,100.0,1.0
+CCN(CC)c1ccc(-c2nn3c(-c4ccccc4OC)nnc3s2)cc1,0,0.0,
+CCN(CC)c1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1,1,100.0,
+CCN(CC)c1ccc(-c2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)cc1,0,0.0,
+CCN(CC)c1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1,0,0.0,
+CCN(CC)c1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1,0,0.0,
+CCN(CC)c1ccc(/C=N/n2c(=S)[nH]nc(C)c2=O)cc1,0,0.0,
+CCN(CC)c1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1,0,0.0,
+CCN(CC)c1ccc(/C=N/n2nnnc2N)c(O)c1,0,0.0,
+CCN(CC)c1ccc(C(=O)Nc2cccc(F)c2)cc1,0,0.0,
+CCN(CC)c1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+CCN(CC)c1ccc(C(=O)OCC(=O)c2ccco2)cc1,0,0.0,
+CCN(CC)c1ccc(C(=O)n2cnc3ccccc32)cc1,0,0.0,
+CCN(CC)c1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+CCN(CC)c1ccc(C(NC(C)=O)NC(C)=O)cc1,0,0.0,
+CCN(CC)c1ccc(C2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1,0,0.0,
+CCN(CC)c1ccc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1,1,100.0,1.0
+CCN(CC)c1ccc(C2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1,1,100.0,1.0
+CCN(CC)c1ccc(C2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1,0,0.0,
+CCN(CC)c1ccc(C2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)CCC3)cc1,1,100.0,1.0
+CCN(CC)c1ccc(C2C3CCCCC3(O)CCN2CC(=O)N2CCCCC2)cc1,0,0.0,
+CCN(CC)c1ccc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1,1,100.0,1.0
+CCN(CC)c1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1,0,0.0,
+CCN(CC)c1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1,0,0.0,
+CCN(CC)c1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1,0,0.0,
+CCN(CC)c1ccc(C=N/C(C#N)=C(\N)C#N)cc1,0,0.0,
+CCN(CC)c1ccc(C=Nc2ccc(C#N)cc2)c(O)c1,0,0.0,
+CCN(CC)c1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CCN(CC)c1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CCN(CC)c1ccc(CNC23CN4CN(CN(C4)C2)C3)cc1,0,0.0,
+CCN(CC)c1ccc(CNc2ccc(Br)cn2)cc1,0,0.0,
+CCN(CC)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+CCN(CC)c1ccc(N=Cc2c(O)n(-c3cc(OC)ccc3OC)c(=O)[nH]c2=O)cc1,0,0.0,
+CCN(CC)c1ccc(N=Cc2c(O)n(-c3ccccc3C)c(=O)[nH]c2=O)cc1,0,0.0,
+CCN(CC)c1ccc(N=Cc2c(O)n(CCC3=CCCCC3)c(=O)[nH]c2=O)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)C(C)C)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)C2CC3CCC2C3)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)CC2Oc3ccccc3NC2=O)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)CN2C(=O)CSc3ncccc32)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)CN2CCN(c3nc(C)cc(C)n3)CC2)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)COc2ccc(C)cc2)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)CSc2nnc(N)s2)cc1C,0,0.0,
+CCN(CC)c1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)Cn2nnc(-c3cccc(OC)c3OC)n2)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2c(OC)cccc2OC)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2cccc(C)c2OC)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2ccco2)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2cnc3ccccn3c2=O)c(C)c1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2cncc(Br)c2)cc1,0,0.0,
+CCN(CC)c1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1,0,0.0,
+CCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1,0,0.0,
+CCN(CC)c1ccc2c(C)c(-c3ccc(N)cc3)c(=O)oc2c1,0,0.0,
+CCN(CC)c1ccc2c(C)c(CN3CCOCC3)c(=O)oc2c1,1,100.0,
+CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1,0,0.0,
+CCN(CC)c1ccc2c(c1)C(=O)N(C)C2=O,0,0.0,
+CCN(CC)c1ccc2c(c1)CCCN2,0,0.0,
+CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccnc1,1,100.0,
+CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc12,0,0.0,
+CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1,1,100.0,
+CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1,0,0.0,
+CCN(CC)c1ccc2cc(-c3nnc(-c4ccncc4)o3)c(=O)oc2c1,1,100.0,
+CCN(CC)c1ccc2cc(C(=O)Nc3ccc(-n4cnnn4)c(OC)c3)c(=O)oc2c1,0,0.0,
+CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1,1,100.0,
+CCN(CC)c1ccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc2c1,0,0.0,
+CCN(CC)c1ccc2cc(C(=O)O)c(=O)oc2c1,0,0.0,
+CCN(CC)c1ccc2cc(NC(=O)CCC(=O)O)c(=O)oc2c1,1,100.0,
+CCN(CC)c1ccc2nonc2c1N,0,0.0,
+CCN(CC)c1ccc2oc(=O)c(C)nc2c1,0,0.0,
+CCN(CC)c1cccc(OC2=NS(=O)(=O)c3ccccc32)c1,0,0.0,
+CCN(CC)c1cccc(OCC(=O)N(C)CCC#N)c1,0,0.0,
+CCN(CC)c1nc(-c2cccc(OC)c2O)nc2ccccc12,0,0.0,
+CCN(CC)c1nc(-c2nn[nH]n2)nc(N(CC)CC)n1,0,0.0,
+CCN(CC)c1nc(C#N)cc(-c2ccc(OC)cc2)n1,0,0.0,
+CCN(CC)c1nc(C#N)nc(N(CC)CC)n1,0,0.0,
+CCN(CC)c1nc(C)c2c(c1C#N)CC(C)(C)OC2,0,0.0,
+CCN(CC)c1nc(N(CC)CC)[nH]c(=O)n1,0,0.0,
+CCN(CC)c1nc(N)c2c(N)n(-c3ccccc3C)c(=S)c(C#N)c2c1C#N,0,0.0,
+CCN(CC)c1nc(N)c2c(N)nc3c(c2c1C#N)CC(c1ccccc1)O3,1,100.0,
+CCN(CC)c1nc(N)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1,0,0.0,
+CCN(CC)c1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2,0,0.0,
+CCN(CC)c1nc(Nc2ccc(Cl)cc2)nc(OCC#N)n1,0,0.0,
+CCN(CC)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1,0,0.0,
+CCN(CC)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)n(C)n2)n1,0,0.0,
+CCN(CC)c1nc(SCC(=O)O)nc(N(CC)CC)n1,0,0.0,
+CCN(CC)c1nc2cc(OC)ccc2cc1C#N,0,0.0,
+CCN(CC)c1nc2ccccc2n2cnnc12,0,0.0,
+CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC,0,0.0,
+CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1,0,0.0,
+CCN(CC)c1nc2n(c(=O)n1)CCN2CC,0,0.0,
+CCN(CC)c1nc2n(c(=O)n1)CCO2,0,0.0,
+CCN(CC)c1nc2n(c(=S)n1)CCS2,0,0.0,
+CCN(CC)c1nc2nonc2nc1N(CC)CC,0,0.0,
+CCN(CC)c1ncc(C)c(=O)[nH]1,0,0.0,
+CCN(CC)c1ncc(Cl)c(C(=O)O)n1,0,0.0,
+CCN(CC)c1ncccc1C(=O)NCc1cccs1,0,0.0,
+CCN(CC)c1ncnc2c1cnn2C,0,0.0,
+CCN(CC)c1ncnc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c12,0,0.0,
+CCN(CC)c1ncnc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c12,0,0.0,
+CCN(CCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(C)C2=O,0,0.0,
+CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1,1,100.0,1.0
+CCN(CCCNC(=O)C1CCC(=O)N1C1CCCC1)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(F)cc1)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)C1CCCN(S(=O)(=O)CC)C1)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1)Cc1ccccc1,1,100.0,1.0
+CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O)Cc1ccccc1,0,0.0,
+CCN(CCCNC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)CCCN1C(=O)COc2ccc(C)cc21)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)CCc1nc(-c2ccc(C)cc2)no1)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)CN1C(=O)COc2ccccc21)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)CN1C(=O)COc2ccccc21)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(C)c1,1,100.0,0.0
+CCN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)COc1cc(=O)n(CC)c2ccccc12)Cc1ccccc1,0,0.0,
+CCN(CCCNC(=O)COc1cc(=O)n(CC)c2ccccc12)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)Cn1cc2c(n1)CCCC2)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1,0,0.0,
+CCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1cccc(C)c1,1,100.0,1.0
+CCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1ccccc1,1,100.0,0.0
+CCN(CCCNC(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(C)c1,0,0.0,
+CCN(CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O)c1cccc(C)c1,0,0.0,
+CCN(CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(C)c1,0,0.0,
+CCN(CCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1cccc(C)c1,0,0.0,
+CCN(CCCNc1ncnc2nc[nH]c12)c1cccc(C)c1,0,0.0,
+CCN(CCCc1ccccc1)CCCc1ccccc1,1,100.0,1.0
+CCN(CCCn1c(=S)[nH]c2ncccc2c1=O)c1ccccc1,0,0.0,
+CCN(CCCn1c(SCC#N)nc2ccccc2c1=O)c1ccccc1,0,0.0,
+CCN(CCN(C)C)C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2,0,0.0,
+CCN(CCNC(=O)C1CC(=O)N(CCc2ccccc2)C1)c1ccccc1,0,0.0,
+CCN(CCNC(=O)C1CCCN(Cc2nc(-c3ccc(OC)cc3)oc2C)C1)c1ccccc1,0,0.0,
+CCN(CCNC(=O)C1CCCN(S(=O)(=O)CC)C1)c1ccccc1,0,0.0,
+CCN(CCNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1,0,0.0,
+CCN(CCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1)c1ccccc1,0,0.0,
+CCN(CCNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1)c1ccccc1,0,0.0,
+CCN(CCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1,0,0.0,
+CCN(CCNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)c1ccccc1,0,0.0,
+CCN(CCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1ccccc1,0,0.0,
+CCN(CCNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1,0,0.0,
+CCN(CCNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1)c1ccccc1,1,100.0,0.0
+CCN(CCNC(=O)CC1Oc2ccccc2NC1=O)c1ccccc1,0,0.0,
+CCN(CCNC(=O)CCCn1nc(C)n2c(cc3sccc32)c1=O)c1ccccc1,0,0.0,
+CCN(CCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccccc1,0,0.0,
+CCN(CCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C)c1ccccc1,0,0.0,
+CCN(CCNC(=O)Cn1c(=O)sc2ccccc21)c1ccccc1,0,0.0,
+CCN(CCNC(=O)Cn1cc2c(n1)CCCC2)c1ccccc1,0,0.0,
+CCN(CCNC(=O)Nc1ccc(Cl)cc1)c1ccccc1,0,0.0,
+CCN(CCNC(=O)c1cc(C)nn1-c1ccccc1)c1ccccc1,0,0.0,
+CCN(CCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1,0,0.0,
+CCN(CCNS(=O)(=O)c1ccc2[nH]c(=O)sc2c1)c1ccccc1,1,100.0,0.0
+CCN(CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccc1,0,0.0,
+CCN(CCO)C(=O)C12CCC(C)(C(=O)C1)C2(C)C,0,0.0,
+CCN(CCO)C(=O)CC(c1ccccc1)c1cc(Br)ccc1O,0,0.0,
+CCN(CCO)C1CC(=O)N(c2ccccc2C)C1=O,0,0.0,
+CCN(CCO)Cc1cc(=O)oc2c(C)c(C)ccc12,0,0.0,
+CCN(CCO)Cc1cn[nH]c1-c1ccc(C)c(C)c1,0,0.0,
+CCN(CCO)c1ccc(-n2c(N)c(C(=O)OC)c3nc4ccccc4nc32)cc1,0,0.0,
+CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(OC)c1,0,0.0,
+CCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(=O)(=O)c1ccccc1,0,0.0,
+CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Cc1ccc(OC)cc1,0,0.0,
+CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccncc1,0,0.0,
+CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccnc1,0,0.0,
+CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccncc1,0,0.0,
+CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1OC,0,0.0,
+CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)C,0,0.0,
+CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1,0,0.0,
+CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1,0,0.0,
+CCN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccccc1,0,0.0,
+CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(OC)c(OC)c2OC)CC1,0,0.0,
+CCN(Cc1ccccc1)C(=O)CC1Oc2ccccc2NC1=O,0,0.0,
+CCN(Cc1ccccc1)C(=O)CCCOc1ccccc1,0,0.0,
+CCN(Cc1ccccc1)C(=O)CCc1nc(-c2ccc(C)cc2)no1,0,0.0,
+CCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(C)c1C#N,1,100.0,0.0
+CCN(Cc1ccccc1)C(=O)CSc1nc(C)cc2c1C(=O)OC2,0,0.0,
+CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CC(=O)NCc2ccco2)c(=O)c2sccc21,0,0.0,
+CCN(Cc1ccccc1)C(=O)Cn1cc2c(n1)CCCC2,0,0.0,
+CCN(Cc1ccccc1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCN(Cc1ccccc1)C(=O)c1ccccc1C,0,0.0,
+CCN(Cc1ccccc1)C(c1cc2cc(C)cc(C)c2[nH]c1=O)c1nnnn1CCOC,0,0.0,
+CCN(Cc1ccccc1)C(c1cc2cc(C)ccc2[nH]c1=O)c1nnnn1CCOC,0,0.0,
+CCN(Cc1ccccc1)C(c1cccc(C#N)c1)c1nnnn1C(C)(C)C,0,0.0,
+CCN(Cc1ccccc1)C(c1ccccn1)c1nnnn1C(C)(C)CC,0,0.0,
+CCN(Cc1ccccc1)C(c1cccs1)c1nnnn1C1CCCCC1,0,0.0,
+CCN(Cc1ccccc1)C(c1ccncc1)c1nnnn1C(C)(C)C,0,0.0,
+CCN(Cc1ccccc1)Cc1c(F)cccc1F,0,0.0,
+CCN(Cc1ccccc1)Cc1cc(OC)cc(OC)c1,0,0.0,
+CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3OC)o2)cc1,0,0.0,
+CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1,0,0.0,
+CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,0,0.0,
+CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,0,0.0,
+CCN(Cc1ccccc1)S(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1,0,0.0,
+CCN(Cc1ccccc1)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1,0,0.0,
+CCN(Cc1ccncc1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+CCN(Cc1ccncc1)C(=O)c1cccs1,0,0.0,
+CCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(C)=O)cc1,0,0.0,
+CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cc(=O)oc2cc(C)c(C)cc12,0,0.0,
+CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1,0,0.0,
+CCN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O,0,0.0,
+CCN(c1ccc(C(O)(C(=O)OC)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,0,0.0,
+CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O,0,0.0,
+CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2,0,0.0,
+CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1,0,0.0,
+CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1,0,0.0,
+CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O,0,0.0,
+CCN(c1cccc(C)c1)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CCN(c1cccc(C)c1)c1ncnc2nc[nH]c12,0,0.0,
+CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1,0,0.0,
+CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1,0,0.0,
+CCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1C,0,0.0,
+CCN(c1ccccc1)S(=O)(=O)c1ccc(N)cc1,0,0.0,
+CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2COc3ccccc3O2)nc1,0,0.0,
+CCN(c1ccccc1)S(=O)(=O)c1ccc(OCc2c(C)noc2C)cc1,0,0.0,
+CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cc2)nc1,0,0.0,
+CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCOCC3)c(=O)c2c1,0,0.0,
+CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCOC)c(=O)c2c1,0,0.0,
+CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1,0,0.0,
+CCN(c1ccccc1)S(=O)(=O)c1cnc[nH]1,0,0.0,
+CCN(c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,0,0.0,
+CCN(c1ccccc1)c1cc(C)nc2nc(C)nn12,0,0.0,
+CCN(c1ccccc1)c1cc(C)nc2ncnn12,0,0.0,
+CCN(c1ccccc1)c1nc2ccsc2c(=O)s1,0,0.0,
+CCN(c1ccccc1)c1ncnc2c1cnn2-c1ccccc1,0,0.0,
+CCN1/C(=C(\O)c2ccccc2)C(=O)c2ccccc2S1(=O)=O,0,0.0,
+CCN1/C(=C/C(=O)c2ccco2)Sc2ccccc21,0,0.0,
+CCN1/C(=C/C(C)=O)Sc2ccc(OC)cc21,0,0.0,
+CCN1C(=C2C(=O)c3ccccc3C2=O)C=Cc2ccccc21,0,0.0,
+CCN1C(=Nc2ccc(Cl)cc2)SC/C1=C\C(=O)OC,0,0.0,
+CCN1C(=O)/C(=C/N(C)C)c2ccccc21,0,0.0,
+CCN1C(=O)/C(=C/N(C)c2ccccc2)OC1=S,0,0.0,
+CCN1C(=O)/C(=C/N2CC(C)CC(C)C2)SC1=S,0,0.0,
+CCN1C(=O)/C(=C/N2CCc3ccccc32)SC1=S,0,0.0,
+CCN1C(=O)/C(=C2/C=CC=CN2C)OC1=S,0,0.0,
+CCN1C(=O)/C(=C2/C=CC=CN2C)SC1=S,0,0.0,
+CCN1C(=O)/C(=C2/SC(C)=C(C)N2CC)SC1=S,0,0.0,
+CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(C(C)=O)cc1,0,0.0,
+CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1cccc(O)c1,0,0.0,
+CCN1C(=O)/C(=C2/Sc3ccccc3N2CCCS(=O)(=O)O)SC1=S,0,0.0,
+CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)OC1=S,0,0.0,
+CCN1C(=O)/C(=C2\SC(=S)N(CC3CCCO3)C2=O)c2ccccc21,0,0.0,
+CCN1C(=O)/C(=C2\SC(=S)N(CCCOC)C2=O)c2ccccc21,0,0.0,
+CCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21,1,100.0,0.0
+CCN1C(=O)/C(=C\N2CCCCCC2)SC1=S,1,100.0,1.0
+CCN1C(=O)/C(=C\N2CCCc3ccccc32)SC1=S,0,0.0,
+CCN1C(=O)/C(=C\N2CCN(C)CC2)SC1=S,0,0.0,
+CCN1C(=O)/C(=C\N2CCN(c3cccc(Cl)c3)CC2)SC1=S,0,0.0,
+CCN1C(=O)/C(=C\N2CCN(c3ccccc3)CC2)SC1=S,0,0.0,
+CCN1C(=O)/C(=c2\o/c(=C3\C=Cc4ccccc4N3CC)c(=O)n2CC)SC1=S,0,0.0,
+CCN1C(=O)C(C(=O)NC(C)c2ccccc2)C2CC1(C)Oc1ccccc12,0,0.0,
+CCN1C(=O)C(C(=O)Nc2ccc(OC)cc2)C2CC1(C)Oc1ccccc12,0,0.0,
+CCN1C(=O)C(C)S/C1=N\S(=O)(=O)c1ccc(Cl)s1,0,0.0,
+CCN1C(=O)C(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)N(CC)C1=O,0,0.0,
+CCN1C(=O)C(CC(=O)NC2CCCCC2)N(CC)C1=O,0,0.0,
+CCN1C(=O)C(CC(=O)NCc2ccc(Cl)cc2)N(CC)C1=O,0,0.0,
+CCN1C(=O)C(Cc2nc3ccccc3c(=O)n2C)c2ccccc21,0,0.0,
+CCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21,0,0.0,
+CCN1C(=O)C(NC(C)=O)c2cc(OC)ccc21,0,0.0,
+CCN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2cc(Br)ccc21,0,0.0,
+CCN1C(=O)C(O)(CC(=O)c2cc(C)ccc2C)c2ccccc21,0,0.0,
+CCN1C(=O)C(O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21,0,0.0,
+CCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21,0,0.0,
+CCN1C(=O)C2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c2ccccc21,0,0.0,
+CCN1C(=O)C2(C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc21,0,0.0,
+CCN1C(=O)C2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21,0,0.0,
+CCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)c2ccccc21,0,0.0,
+CCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(COC)c32)c2ccccc21,0,0.0,
+CCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21,0,0.0,
+CCN1C(=O)C2(Nc3ccccc3-c3nc4ccccc4n32)c2cc(OC)ccc21,0,0.0,
+CCN1C(=O)C2C(c3ccc(O)c(OC)c3)NC(C)(C(=O)OC)C2C1=O,0,0.0,
+CCN1C(=O)C2C(c3cccc(F)c3)NC(C)(C(=O)OC)C2C1=O,0,0.0,
+CCN1C(=O)C2C(c3cccc(F)c3)NC(CC)(C(=O)OC)C2C1=O,0,0.0,
+CCN1C(=O)C2C(c3ccccc3F)NC(Cc3ccc(O)cc3)(C(=O)OC)C2C1=O,0,0.0,
+CCN1C(=O)CC(C(=O)NC)SC1=Nc1cc(Cl)c(O)c(Cl)c1,0,0.0,
+CCN1C(=O)CC(C(=O)Nc2ccc(C(=O)O)cc2)SC1=Nc1ccccc1OC,0,0.0,
+CCN1C(=O)CC(C(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)OCO2,0,0.0,
+CCN1C(=O)CC(C(=O)Nc2ccc(F)cc2)SC1=Nc1cccc(OC)c1,0,0.0,
+CCN1C(=O)CC(C(=O)O)SC1=Nc1ccc(OC)cc1,0,0.0,
+CCN1C(=O)CC(N2CCC(C(=O)N3CCOCC3)CC2)C1=O,0,0.0,
+CCN1C(=O)CC(N2CCC(C(=O)OC)CC2)C1=O,0,0.0,
+CCN1C(=O)CC(N2CCC(Cc3ccccc3)CC2)C1=O,0,0.0,
+CCN1C(=O)CC(N2CCC(Nc3ccc(F)cc3)CC2)C1=O,0,0.0,
+CCN1C(=O)CC(N2CCC(Nc3ccc(OC)cc3)CC2)C1=O,0,0.0,
+CCN1C(=O)CC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,0,0.0,
+CCN1C(=O)CC(N2CCN(c3ccc(C(=O)c4ccccc4)cc3)CC2)C1=O,0,0.0,
+CCN1C(=O)CC(N2CCN(c3ccc(Cl)cc3)CC2)C1=O,0,0.0,
+CCN1C(=O)CC(N2CCN(c3ccc(OC)cc3)CC2)C1=O,0,0.0,
+CCN1C(=O)CC(Sc2ccccc2N)C1=O,0,0.0,
+CCN1C(=O)CC(c2ccco2)Sc2ccccc21,0,0.0,
+CCN1C(=O)CC(n2c(C)nc3ccccc32)C1=O,0,0.0,
+CCN1C(=O)CS/C1=C(\C#N)S(=O)(=O)c1ccccc1,0,0.0,
+CCN1C(=O)CS/C1=N\c1nccs1,0,0.0,
+CCN1C(=O)CSC1=NC1C2CC3CC(C2)CC1C3,0,0.0,
+CCN1C(=O)CSc2ccc(C(=O)NC3CCCCC3)cc21,0,0.0,
+CCN1C(=O)CSc2ccc(C(=O)NCCCN3CCOCC3)cc21,0,0.0,
+CCN1C(=O)CSc2ccc(C(=O)NCc3ccco3)cc21,0,0.0,
+CCN1C(=O)CSc2ccc(C(=O)OC)cc21,0,0.0,
+CCN1C(=O)Cc2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CCN1C(=O)N(C)C(N(O)C(=O)NC)C1(C)C,0,0.0,
+CCN1C(=O)N(C)C2(c3ccccc3)N(C)C(=O)N(C)C12c1ccccc1,0,0.0,
+CCN1C(=O)N(CC)C(O)(c2ccccc2)C1(O)c1ccccc1,0,0.0,
+CCN1C(=O)N(CC)C2C1N(C(C)=O)C(=O)N2C(C)=O,0,0.0,
+CCN1C(=O)N(CN2CCOCC2)C2C1N(CN1CCOCC1)C(=O)N2CC,0,0.0,
+CCN1C(=O)NC(c2cc(Br)ccc2OC)C(C(=O)OC)=C1C,0,0.0,
+CCN1C(=O)NC(c2cccnc2)C(C(=O)OC)=C1C,0,0.0,
+CCN1C(=O)NC2C1N(S(C)(=O)=O)CCN2S(C)(=O)=O,0,0.0,
+CCN1C(=O)OC2(CCCCC2)C1(C)O,0,0.0,
+CCN1C(=O)c2c(C)nc3ccccc3c2C1=O,0,0.0,
+CCN1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O,0,0.0,
+CCN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O,0,0.0,
+CCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O,0,0.0,
+CCN1C(=O)c2ccc(C(=O)O)cc2C1=O,0,0.0,
+CCN1C(=O)c2cccc3c(N)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(NC(=O)C(C)(C)C)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(NC(=O)C4CCCCC4)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(NC(=O)c4ccc(S(=O)(=O)N5CCOCC5)cc4)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(NC(=O)c4ccc5c(c4)OCCO5)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(NC(=O)c4cccc(N5C(=O)CCC5=O)c4)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(NC(C)=O)cc4)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(S(=O)(=O)NC(Cc4c[nH]c5ccccc45)C(=O)O)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(S(=O)(=O)NCCCN4CCOCC4)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccco4)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(OC)cc4OC)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4OC)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccn4)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4nc(C)cs4)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ncccc4C)ccc1c23,0,0.0,
+CCN1C(=O)c2cccc3cccc1c23,0,0.0,
+CCN1C(=O)c2ccccc2S(=O)(=O)c2ccc(C(=O)NCc3cccnc3)cc21,0,0.0,
+CCN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)N3CCCC3)cc21,0,0.0,
+CCN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)N3CCCCCC3)cc21,0,0.0,
+CCN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc21,1,100.0,0.0
+CCN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)NC3CC3)cc21,0,0.0,
+CCN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)NCCCN3CCCC3=O)cc21,0,0.0,
+CCN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)NCc3ccccn3)cc21,0,0.0,
+CCN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21,0,0.0,
+CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCCN3CCOCC3)cc21,0,0.0,
+CCN1C(=O)c2n[nH]c(C(=O)OC)c2C1=O,0,0.0,
+CCN1C(=S)SC(=O)C1=C1C=C(C)N(CCO)C(C)=C1,0,0.0,
+CCN1C(=S)SC(=O)C1=C1C=C(C)N(CCOC)C(C)=C1,0,0.0,
+CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1,0,0.0,
+CCN1C(=S)SC(=O)C1=C1C=C(C)OC(C)=C1,0,0.0,
+CCN1C(c2ccc(F)cc2)=CS/C1=C(\C#N)c1nnc2n1-c1ccccc1SC2,0,0.0,
+CCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Br)c2)C2=C1CCCC2=O,0,0.0,
+CCN1C2=C(C(=O)CCC2)C(c2ccc(O)cc2)C2=C1CCCC2=O,0,0.0,
+CCN1C2=NCCCN2c2cc(C)c(C)cc21,0,0.0,
+CCN1C2=NCCCN2c2ccccc21,0,0.0,
+CCN1C=C(C(=O)OC)C(c2cccc(C)c2)C(C(=O)OC)=C1,0,0.0,
+CCN1C=C(Cc2cccs2)C2=C(C1)C(c1cccs1)C(C#N)=C(N)O2,1,100.0,0.0
+CCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1,0,0.0,
+CCN1CC2=C(OC(N)=C(C#N)C2c2ccccc2)/C(=C\c2ccccc2)C1,0,0.0,
+CCN1CC2=C(OC(N)=C(C#N)C2c2cccs2)/C(=C/c2cccs2)C1,0,0.0,
+CCN1CC2CCCC3(C1)C(=O)NC1(CCCCC1)N=C23,0,0.0,
+CCN1CC=C(c2c[nH]c3ccccc23)CC1,0,0.0,
+CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1,1,100.0,
+CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cc(Cl)ccc3Cl)C2C1,0,0.0,
+CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(OC)c3OC)[C@H]2C1,0,0.0,
+CCN1CC=C2C(C1)C(c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N,0,0.0,
+CCN1CCC(C(=O)NC2CCCC2)(N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)CC1,0,0.0,
+CCN1CCC(NC(=O)c2cc(OC)c(OC)cc2OC)CC1,0,0.0,
+CCN1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12,0,0.0,
+CCN1CCC2(CCNC2)C1,0,0.0,
+CCN1CCCC(NC(=O)c2scc3c2CCCC3)C1,0,0.0,
+CCN1CCCC(OC(=O)Nc2ccccc2)C1,0,0.0,
+CCN1CCCC1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)NC1CCCCC1,0,0.0,
+CCN1CCCC1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1OC,0,0.0,
+CCN1CCCC1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1OC,0,0.0,
+CCN1CCCC1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)NCc1ccccc1,0,0.0,
+CCN1CCCC1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1OC,0,0.0,
+CCN1CCCC1CN=Cc1c(O)n(-c2ccccc2)c(=O)c2ccccc12,0,0.0,
+CCN1CCCC1CNC(=O)C(NC(=O)C1CCC(C)CC1)C(C)C,0,0.0,
+CCN1CCCC1CNC(=O)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,0,0.0,
+CCN1CCCC1CNC(=O)C1CCN(Cc2nc(-c3cccc(Br)c3)oc2C)CC1,0,0.0,
+CCN1CCCC1CNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1cccnc1,0,0.0,
+CCN1CCCC1CNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1ccc(F)cc1,0,0.0,
+CCN1CCCC1CNC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCN1CCCC1CNC(=O)CCc1nc(-c2ccc(C)cc2)no1,0,0.0,
+CCN1CCCC1CNC(=O)CN1C(=O)COc2ccc(C)cc21,0,0.0,
+CCN1CCCC1CNC(=O)COc1cc(=O)n(C)c2ccccc12,0,0.0,
+CCN1CCCC1CNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C,0,0.0,
+CCN1CCCC1CNC(=O)CSCc1nc(-c2ccccc2C)oc1C,1,100.0,1.0
+CCN1CCCC1CNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12,0,0.0,
+CCN1CCCC1CNC(=O)CSc1cc(=O)n(CC)c2ccccc12,0,0.0,
+CCN1CCCC1CNC(=O)Cn1cc2c(n1)CCC(C)C2,0,0.0,
+CCN1CCCC1CNC(=O)Cn1cccc1C(=O)c1ccccc1,0,0.0,
+CCN1CCCC1CNC(=O)Cn1cccc1C(=O)c1ccccc1C,0,0.0,
+CCN1CCCC1CNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O,0,0.0,
+CCN1CCCC1CNC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21,0,0.0,
+CCN1CCCC1CNC(=O)c1c(O)c2c([nH]c1=O)CCCC2,0,0.0,
+CCN1CCCC1CNC(=O)c1cc(NC(C)=O)c(N(C)C)cc1OC,0,0.0,
+CCN1CCCC1CNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,1,100.0,0.0
+CCN1CCCC1CNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1,1,100.0,0.0
+CCN1CCCC1CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,0,0.0,
+CCN1CCCC1CNC(=O)c1cc2c(C)nc3ccccc3c2o1,0,0.0,
+CCN1CCCC1CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1,0,0.0,
+CCN1CCCC1CNC(=O)c1ccc(N2CCCC2=O)cc1,0,0.0,
+CCN1CCCC1CNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1,0,0.0,
+CCN1CCCC1CNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCCCC3)cc2c1=O,0,0.0,
+CCN1CCCC1CNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCCCC3)cc2c1=O,0,0.0,
+CCN1CCCC1CNC(=O)c1csc2c1CCCC2,0,0.0,
+CCN1CCCC1CNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C,0,0.0,
+CCN1CCCC1CNC1=NCCCCC1,0,0.0,
+CCN1CCCC1CNCc1ccc(Cl)cc1Cl,1,100.0,1.0
+CCN1CCCC1CNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2,0,0.0,
+CCN1CCCC1CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1,0,0.0,
+CCN1CCCC1CNc1ncnc2c1[nH]c1ccc(Cl)cc12,0,0.0,
+CCN1CCCC1CNc1ncnc2c1[nH]c1ccc(F)cc12,0,0.0,
+CCN1CCCC1Cn1cnc2c([nH]c3ccc(C)cc32)c1=O,0,0.0,
+CCN1CCCC1Cn1cnc2c([nH]c3ccc(Cl)cc32)c1=O,0,0.0,
+CCN1CCCC1Cn1cnc2c([nH]c3cccc(Cl)c32)c1=O,0,0.0,
+CCN1CCN(/C=N/c2nc(C)cs2)CC1,0,0.0,
+CCN1CCN(/C=N/c2nc3c(s2)CCCC3)CC1,0,0.0,
+CCN1CCN(C(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1,0,0.0,
+CCN1CCN(C(=O)C(NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)CC1,0,0.0,
+CCN1CCN(C(=O)C2=C(C(=O)O)CCCC2)CC1,0,0.0,
+CCN1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,0,0.0,
+CCN1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3CC)CC2)CC1,0,0.0,
+CCN1CCN(C(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)CC1,0,0.0,
+CCN1CCN(C(=O)C2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)CC1,0,0.0,
+CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1,0,0.0,
+CCN1CCN(C(=O)C2c3cc(OC)c(OC)cc3C(=O)N(C)C2c2ccc(SC)cc2)CC1,0,0.0,
+CCN1CCN(C(=O)C2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4C23)CC1,0,0.0,
+CCN1CCN(C(=O)CCCCCn2c(=O)[nH]c3cc(C(=O)OC)ccc3c2=O)CC1,0,0.0,
+CCN1CCN(C(=O)CCN2C(=O)COc3ccc(C)cc32)CC1,0,0.0,
+CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)CC1,0,0.0,
+CCN1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1,0,0.0,
+CCN1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1,0,0.0,
+CCN1CCN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)CC1,0,0.0,
+CCN1CCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)CC1,0,0.0,
+CCN1CCN(C(=O)COc2cc(=O)n(CC)c3ccccc23)CC1,0,0.0,
+CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1,0,0.0,
+CCN1CCN(C(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1,0,0.0,
+CCN1CCN(C(=O)C[S+]([O-])Cc2nc(-c3ccc(OC)cc3)oc2C)CC1,0,0.0,
+CCN1CCN(C(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1,0,0.0,
+CCN1CCN(C(=O)Cc2coc3cc(C)cc(C)c23)CC1,0,0.0,
+CCN1CCN(C(=O)Cn2c(=O)sc3ccccc32)CC1,0,0.0,
+CCN1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1,0,0.0,
+CCN1CCN(C(=O)Cn2ncc3ccsc3c2=O)CC1,0,0.0,
+CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O,0,0.0,
+CCN1CCN(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CCN(CC)CC4)cc3)cc2)CC1,0,0.0,
+CCN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1,0,0.0,
+CCN1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1,0,0.0,
+CCN1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,0,0.0,
+CCN1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2Cc2ccccc2)CC1,0,0.0,
+CCN1CCN(C(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2)CC1,0,0.0,
+CCN1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1,0,0.0,
+CCN1CCN(C(=O)c2cc3cc4cc(OC)ccc4nc3s2)CC1,0,0.0,
+CCN1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)CC1,0,0.0,
+CCN1CCN(C(=O)c2cc3sccc3n2CC(=O)c2ccccc2)CC1,0,0.0,
+CCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1,0,0.0,
+CCN1CCN(C(=O)c2ccc3c(=O)n(C4CCCC4)c(=S)[nH]c3c2)CC1,0,0.0,
+CCN1CCN(C(=O)c2ccc3c(=O)n(CCC4=CCCCC4)c(=O)[nH]c3c2)CC1,0,0.0,
+CCN1CCN(C(=O)c2ccc3c(=O)n(Cc4ccccc4OC)c(=S)[nH]c3c2)CC1,0,0.0,
+CCN1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S+]3[O-])CC1,0,0.0,
+CCN1CCN(C(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)CC1,0,0.0,
+CCN1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1,0,0.0,
+CCN1CCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)CC1,0,0.0,
+CCN1CCN(C(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1,0,0.0,
+CCN1CCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)CC1,0,0.0,
+CCN1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)CC1,0,0.0,
+CCN1CCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3c2c2ccccc2n3C)CC1,0,0.0,
+CCN1CCN(C(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)CC1,1,100.0,1.0
+CCN1CCN(C(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)CC1,0,0.0,
+CCN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1,0,0.0,
+CCN1CCN(C(CNC(=O)c2ccc3c(c2)OCO3)c2cccnc2)CC1,0,0.0,
+CCN1CCN(C(CNS(=O)(=O)c2ccc(OC)cc2)c2cccnc2)CC1,0,0.0,
+CCN1CCN(C(c2cc(OC)c(OC)c(OC)c2)c2nnnn2C(C)C)CC1,0,0.0,
+CCN1CCN(C(c2cc(OC)ccc2OC)c2nnnn2Cc2ccccc2)CC1,0,0.0,
+CCN1CCN(C(c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C(C)(C)CC)CC1,0,0.0,
+CCN1CCN(C(c2cc3cccc(C)c3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1,0,0.0,
+CCN1CCN(C(c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1,0,0.0,
+CCN1CCN(C(c2ccc(OC)c(OC)c2)c2nnnn2C(C)(C)C)CC1,0,0.0,
+CCN1CCN(C(c2ccccc2)c2nnnn2CCc2ccc(OC)c(OC)c2)CC1,0,0.0,
+CCN1CCN(C(c2ccccc2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+CCN1CCN(C(c2ccccc2F)c2nnnn2Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CCN1CCN(C(c2ccccc2OC)c2nnnn2C2CCCCC2)CC1,0,0.0,
+CCN1CCN(C(c2cccs2)C(C)NC(=O)C(C)C)CC1,0,0.0,
+CCN1CCN(C(c2cccs2)C(C)NC(=O)CC(C)C)CC1,0,0.0,
+CCN1CCN(C(c2cccs2)C(C)NC(=O)c2c(F)cccc2F)CC1,0,0.0,
+CCN1CCN(C(c2cccs2)C(C)NC(=O)c2cccc(OC)c2)CC1,0,0.0,
+CCN1CCN(C(c2cccs2)C(C)NC(=O)c2cccc(OC)c2OC)CC1,0,0.0,
+CCN1CCN(C(c2cccs2)C(C)NC(=O)c2ccccc2)CC1,0,0.0,
+CCN1CCN(C(c2cccs2)C(C)NC(=O)c2ccccc2F)CC1,0,0.0,
+CCN1CCN(C(c2cccs2)C(C)NC(=O)c2ccccc2OC)CC1,0,0.0,
+CCN1CCN(C(c2cccs2)C(C)NC(=O)c2cccnc2)CC1,1,100.0,1.0
+CCN1CCN(C(c2cccs2)C(C)NC(=O)c2ccco2)CC1,0,0.0,
+CCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(Br)cc2)CC1,0,0.0,
+CCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CCN1CCN(C2CCN(C(C)=O)CC2)CC1,0,0.0,
+CCN1CCN(CC(=O)NC2CCCC2)C(=O)C1=O,0,0.0,
+CCN1CCN(CC(=O)NC2CCCCC2)C(=O)C1=O,0,0.0,
+CCN1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(Cl)c23)CC1,0,0.0,
+CCN1CCN(CC(=O)Nc2cc(F)ccc2C)CC1,0,0.0,
+CCN1CCN(CC(=O)Nc2ccc(C)cc2C)C(=O)C1=O,0,0.0,
+CCN1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)C1=O,0,0.0,
+CCN1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)C1=O,0,0.0,
+CCN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)C(=O)C1=O,0,0.0,
+CCN1CCN(CC(=O)Nc2cccc(C)c2)C(=O)C1=O,0,0.0,
+CCN1CCN(CC(=O)Nc2cccc(C)c2C)C(=O)C1=O,0,0.0,
+CCN1CCN(CC(=O)Nc2ccccc2)C(=O)C1=O,0,0.0,
+CCN1CCN(CC(=O)Nc2sc3c(c2C#N)CCC(C)C3)CC1,0,0.0,
+CCN1CCN(CC(=O)n2c3c(c4ccccc42)CC(C)CC3)CC1,0,0.0,
+CCN1CCN(CC(O)COCc2ccccc2)CC1,0,0.0,
+CCN1CCN(CC(O)COc2ccc(C(C)=O)cc2)CC1,0,0.0,
+CCN1CCN(CC(O)COc2ccc(C)c(C)c2)CC1,0,0.0,
+CCN1CCN(CC(O)COc2cccc(OC)c2)CC1,0,0.0,
+CCN1CCN(CCC(=O)Nc2ccccc2OC)CC1,0,0.0,
+CCN1CCN(CCCNC(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)CC1,0,0.0,
+CCN1CCN(CCCNC(=O)C2CCCN(c3nnc(-n4cccc4)s3)C2)CC1,0,0.0,
+CCN1CCN(CCCNC(=O)C2c3ccccc3C(=O)N(C)C2c2ccc(OC)cc2)CC1,0,0.0,
+CCN1CCN(CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1,0,0.0,
+CCN1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1,1,100.0,0.0
+CCN1CCN(CCCNC(=O)c2cc3sccc3n2CC)CC1,1,100.0,0.0
+CCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)CC1,0,0.0,
+CCN1CCN(CCCNC(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1,0,0.0,
+CCN1CCN(CCCNC(=O)c2csc3c2CCCCC3)CC1,0,0.0,
+CCN1CCN(CCCNc2ncnc3nc[nH]c23)CC1,0,0.0,
+CCN1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1,1,100.0,1.0
+CCN1CCN(CCCn2c(=S)[nH]c3ccccc3c2=O)CC1,0,0.0,
+CCN1CCN(CCNC(=O)C2CCCN(Cc3nc(-c4cccc(Cl)c4)oc3C)C2)CC1,0,0.0,
+CCN1CCN(CCNC(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)CC1,0,0.0,
+CCN1CCN(CCNC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1,0,0.0,
+CCN1CCN(CCNC(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1,0,0.0,
+CCN1CCN(CCNC(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)CC1,0,0.0,
+CCN1CCN(CCNC(=O)c2cn(C(C)c3ccccc3F)nn2)CC1,0,0.0,
+CCN1CCN(CCNC(=O)c2cn(Cc3ccccc3F)nn2)CC1,0,0.0,
+CCN1CCN(CNC(=O)c2cnccn2)CC1,0,0.0,
+CCN1CCN(Cc2c(C)[nH]c3ccc(C(=O)OC)cc3c2=O)CC1,0,0.0,
+CCN1CCN(Cc2c(C)[nH]c3ccc(OC)cc3c2=O)CC1,0,0.0,
+CCN1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1,0,0.0,
+CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C(F)(F)F)oc23)CC1,0,0.0,
+CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C)oc23)CC1,0,0.0,
+CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4OC)coc23)CC1,0,0.0,
+CCN1CCN(Cc2c(OC)ccc3ccccc23)CC1,1,100.0,0.0
+CCN1CCN(Cc2cc(=O)oc3cc(C)cc(C)c23)CC1,1,100.0,1.0
+CCN1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1,0,0.0,
+CCN1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1,0,0.0,
+CCN1CCN(Cc2cc(Br)cc(OC)c2O)CC1,1,100.0,1.0
+CCN1CCN(Cc2ccc(C)cc2)CC1,0,0.0,
+CCN1CCN(Cc2ccc(C)cc2C)CC1,0,0.0,
+CCN1CCN(Cc2ccc(NC(=O)CC3Oc4ccc(C)cc4NC3=O)cc2)CC1,1,100.0,1.0
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)CC1,0,0.0,
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(SC)cc3)cc2)CC1,0,0.0,
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3)cc2)CC1,0,0.0,
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3Cl)cc2)CC1,1,100.0,0.0
+CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3OC)cc2)CC1,0,0.0,
+CCN1CCN(Cc2ccc(NC(=O)Nc3cccs3)cc2)CC1,0,0.0,
+CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1,0,0.0,
+CCN1CCN(Cc2ccc(OC)c(OCc3ccccc3)c2)CC1,0,0.0,
+CCN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1,1,100.0,1.0
+CCN1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1,1,100.0,
+CCN1CCN(Cc2ccccc2C)CC1,0,0.0,
+CCN1CCN(Cc2ccccc2NC(=O)Nc2ccc(C)cc2)CC1,0,0.0,
+CCN1CCN(Cc2coc3ccc(C)cc3c2=O)CC1,0,0.0,
+CCN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1,0,0.0,
+CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C(C)=O)CC1,0,0.0,
+CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)c2ccccc2)CC1,0,0.0,
+CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1,0,0.0,
+CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1,0,0.0,
+CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1,0,0.0,
+CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,1,100.0,0.0
+CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)CC1,0,0.0,
+CCN1CCN(Cc2nnnn2C(C)(C)C)CC1,0,0.0,
+CCN1CCN(P2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)CC1,0,0.0,
+CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+CCN1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C)CC1,0,0.0,
+CCN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1,0,0.0,
+CCN1CCN(S(=O)(=O)c2cc(OCC(=O)NC3CCCCC3)c(C)cc2Cl)CC1,0,0.0,
+CCN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+CCN1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1,0,0.0,
+CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)Cc3ccccc3)cc2)CC1,0,0.0,
+CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)CC1,0,0.0,
+CCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1,0,0.0,
+CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1,1,100.0,1.0
+CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc3c(c2)OCCO3)CC1,0,0.0,
+CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccco2)CC1,0,0.0,
+CCN1CCN(c2cc(=O)n(-c3cc(Cl)ccc3C)c(=O)[nH]2)CC1,0,0.0,
+CCN1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,0,0.0,
+CCN1CCN(c2cc(C)c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)ccc3n2)CC1,0,0.0,
+CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(Br)o4)ccc3n2)CC1,1,100.0,
+CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3n2)CC1,1,100.0,1.0
+CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccncc4)ccc3n2)CC1,0,0.0,
+CCN1CCN(c2cc(C)c3cc(NC(=O)c4cncc(Br)c4)ccc3n2)CC1,1,100.0,1.0
+CCN1CCN(c2cc(C)c3cc(NC(=O)c4cnccn4)ccc3n2)CC1,0,0.0,
+CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,0,0.0,
+CCN1CCN(c2ccc(-n3c(C)nc4c(cnn4-c4ccccc4Cl)c3=O)cc2)CC1,0,0.0,
+CCN1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1,1,100.0,1.0
+CCN1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,0,0.0,
+CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1,1,100.0,1.0
+CCN1CCN(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CC1,1,100.0,0.0
+CCN1CCN(c2ccc(NC(=O)c3cccnc3)cc2Cl)CC1,1,100.0,1.0
+CCN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1,0,0.0,
+CCN1CCN(c2nc(C)nc3c2sc(=S)n3C)CC1,0,0.0,
+CCN1CCN(c2nc(SC)nc3sc4c(c23)CC(C)(C)OC4)CC1,0,0.0,
+CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)CC1,0,0.0,
+CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CCN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1,0,0.0,
+CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)CC1,0,0.0,
+CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1,0,0.0,
+CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nccc(C)n2)CC1,0,0.0,
+CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)CC1,0,0.0,
+CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,1,100.0,1.0
+CCN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1,0,0.0,
+CCN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)CC1,0,0.0,
+CCN1CCN(c2nc3sc4c(c3c3ncnn23)CC(C)CC4)CC1,0,0.0,
+CCN1CCN(c2ncc(C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc23)CC1,1,100.0,
+CCN1CCN(c2ncc(C(=O)Nc3c(F)cc(F)cc3Br)c3ccccc23)CC1,1,100.0,1.0
+CCN1CCN(c2ncc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc23)CC1,1,100.0,1.0
+CCN1CCN(c2ncc(C(=O)Nc3ccc(F)cc3F)c3ccccc23)CC1,1,100.0,1.0
+CCN1CCN(c2ncc(C(=O)Nc3ccccc3C(=O)OC)c3ccccc23)CC1,1,100.0,1.0
+CCN1CCN(c2ncc3c(n2)CC(c2cc(OC)c(OC)c(OC)c2)CC3=O)CC1,0,0.0,
+CCN1CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1,0,0.0,
+CCN1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2C)CC1,0,0.0,
+CCN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1,1,100.0,
+CCN1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,0,0.0,
+CCN1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1,0,0.0,
+CCN1CCN(c2ncnc3c2oc2nc(C(C)C)c4c(c23)CCC4)CC1,0,0.0,
+CCN1CCN(c2ncnc3c2oc2nc(C)c4c(c23)CC(C)(C)OC4)CC1,0,0.0,
+CCN1CCN(c2ncnc3c2sc(=S)n3-c2ccccc2)CC1,0,0.0,
+CCN1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCC4)CC1,0,0.0,
+CCN1CCN(c2ncnc3ccc(Br)cc23)CC1,0,0.0,
+CCN1CCN(c2ncnc3sc(C(=O)Nc4ccccc4F)c(C)c23)CC1,0,0.0,
+CCN1CCN(c2oc(-c3ccc(OC)cc3)nc2C#N)CC1,0,0.0,
+CCN1CCN(c2oc(COc3ccc(-c4ccccc4)cc3)nc2C#N)CC1,0,0.0,
+CCN1CCc2c(C#N)c(N3CCCCC3)nc(N3CCOCC3)c2C1,0,0.0,
+CCN1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1,0,0.0,
+CCN1CCc2c(C#N)c(N3CCOCC3)nc(NCCO)c2C1,0,0.0,
+CCN1CCc2c(C#N)c(N3CCOCC3)nc(NCc3ccccc3)c2C1,1,100.0,0.0
+CCN1CCc2c(C#N)c(NCc3ccccc3)nc(N(CC)CC)c2C1,0,0.0,
+CCN1CCc2c(C#N)c(NCc3ccccc3)nc(NCCO)c2C1,0,0.0,
+CCN1CCc2c(sc(N)c2C#N)C1,0,0.0,
+CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)OC)C1,0,0.0,
+CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(N)=O)C1,0,0.0,
+CCN1CCc2nc(NC(=O)Cc3ccc4c(c3)OCCO4)sc2C1,0,0.0,
+CCN1CCc2nc(NC(=O)c3ccc4c(c3)OCCO4)sc2C1,0,0.0,
+CCN1CCc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2C1,1,100.0,0.0
+CCN1CCn2c1nc(N1CCCCC1)nc2=O,0,0.0,
+CCN1CCn2c1nc(N1CCOCC1)nc2=O,0,0.0,
+CCN1CCn2c3c(c4cc(Br)ccc42)CCCC31,0,0.0,
+CCN1CCn2c3c(c4cc(C)ccc42)CCCC31,0,0.0,
+CCN1CCn2c3c(c4cc(Cl)ccc42)CCCC31,1,100.0,
+CCN1c2ccccc2-c2nc3ccccc3n2C1c1ccccn1,0,0.0,
+CCN1c2ccccc2-c2nc3ccccc3n2C1c1cccnc1,0,0.0,
+CCN1c2ccccc2-c2nc3ccccc3n2C1c1ccncc1,0,0.0,
+CCN1c2ccccc2NC2C1C(C(C)=O)C(=O)N2c1ccc(Cl)cc1,0,0.0,
+CCN1c2ccccc2NC2N=C(OC)C(c3ccccc3)C21,0,0.0,
+CCN1c2nc3c(C)cccn3c(=O)c2CC2(C(=O)N(C)C(=O)N(C)C2=O)C1C,0,0.0,
+CCN1c2nc3ccccn3c(=O)c2CC2(C(=O)N(C)C(=O)N(C)C2=O)C1C,0,0.0,
+CCN=C(NCC)SC1CC(=O)N(c2cccc(OC)c2)C1=O,0,0.0,
+CCN=C(NCC)SC1CC(=O)N(c2cccc(OCC)c2)C1=O,1,100.0,
+CCN=C(NCC)SC1CC(=O)N(c2ccccc2)C1=O,0,0.0,
+CCN=C(Nc1ccc2c(c1)OCO2)SC1CC(=O)N(c2ccccc2F)C1=O,0,0.0,
+CCN=C(Nc1cccc(F)c1)SC1CC(=O)N(c2ccc(OC)cc2)C1=O,0,0.0,
+CCN=C1Cn2c(nc3scc(-c4ccccc4)c3c2=O)CN1CC,0,0.0,
+CCN=C1SC(C(=O)NCCc2ccccc2)CC(=O)N1CC,0,0.0,
+CCN=C1SC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1CC,0,0.0,
+CCN=C1SC(C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1CC,0,0.0,
+CCN=C1SC(C(=O)Nc2cccc(OCC)c2)CC(=O)N1CC,0,0.0,
+CCN=C1SC(C(N)=O)CC(=O)N1CC,1,100.0,0.0
+CCN=C1SC(CC(=O)NC(N)=O)C(=O)N1CC,0,0.0,
+CCN=C1SC(CC(=O)NC2CCCCC2)C(=O)N1CC,0,0.0,
+CCN=C1SC(CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1CC,1,100.0,
+CCN=C1SC(CC(=O)Nc2ccc(C)cc2)C(=O)N1CC,0,0.0,
+CCN=C1SC(CC(=O)Nc2ccc(N3CCOCC3)cc2)C(=O)N1CC,0,0.0,
+CCN=C1SC(CC(=O)Nc2ccccc2)C(=O)N1CC,1,100.0,
+CCN=C1SC(CC(=O)Nc2ccccc2OCC)C(=O)N1CC,0,0.0,
+CCN=C1SC(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C(=O)N1CC,0,0.0,
+CCN=C1SC(CC(=O)Nc2sc3c(c2C#N)CCCC3)C(=O)N1CC,0,0.0,
+CCN=C1SCC(=O)N1c1ccc(OC)cc1,0,0.0,
+CCN=c1sc(C(=O)NCCc2ccccc2)cc(=O)n1CC,1,100.0,
+CCN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCCC1,0,0.0,
+CCN=c1scc(C)n1/N=C/c1ccsc1,0,0.0,
+CCNC(=O)/N=C1/NC(=O)C(C(C)C)O1,0,0.0,
+CCNC(=O)C(C)Sc1ccc(Cl)cc1,0,0.0,
+CCNC(=O)C1CC(=O)N(CC)C(=Nc2cc(Cl)c(O)c(Cl)c2)S1,0,0.0,
+CCNC(=O)C1CC(=O)N(Cc2ccc(F)cc2)C(=Nc2ccc(OC)cc2)S1,0,0.0,
+CCNC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)C(=Nc2ccc(F)cc2)S1,0,0.0,
+CCNC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)C(=Nc2ccc(OCC)cc2)S1,0,0.0,
+CCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1,0,0.0,
+CCNC(=O)C1CC(=O)N(c2ccc(OCC)cc2)C1,0,0.0,
+CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(OC)cc1,0,0.0,
+CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CCNC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,0,0.0,
+CCNC(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O,0,0.0,
+CCNC(=O)CC(=O)Nc1ccccc1C(=O)O,0,0.0,
+CCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=O)N1Cc1ccccn1,0,0.0,
+CCNC(=O)CC1C(=O)N(c2ccc(F)cc2)C(=O)N1CCC(C)C,0,0.0,
+CCNC(=O)CC1C(=O)N(c2ccc(F)cc2)C(=O)N1CCc1ccc(OC)cc1,0,0.0,
+CCNC(=O)CC1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccc(OC)cc1,0,0.0,
+CCNC(=O)CC1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccccn1,0,0.0,
+CCNC(=O)CC1C(=O)N(c2ccc(OC)cc2)C(=O)N1Cc1ccc(OC)cc1,0,0.0,
+CCNC(=O)CC1C(=O)N(c2cccc(OC)c2)C(=O)N1CCOC,0,0.0,
+CCNC(=O)CC1C(=O)N(c2ccccc2)C(=O)N1CCC(C)C,0,0.0,
+CCNC(=O)CC1C(=O)N(c2ccccc2)C(=O)N1CCc1ccc(OC)cc1,0,0.0,
+CCNC(=O)CC1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(OC)cc1,0,0.0,
+CCNC(=O)CC1SC(=Nc2cccc(Cl)c2C)N(C)C1=O,0,0.0,
+CCNC(=O)CC1SC(=Nc2ccccc2C)N(C)C1=O,0,0.0,
+CCNC(=O)CCC(=O)Nc1cc(Cl)ccc1C,0,0.0,
+CCNC(=O)CCCOc1ccc(Cl)cc1Cl,0,0.0,
+CCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1,0,0.0,
+CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O,0,0.0,
+CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O,0,0.0,
+CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1,0,0.0,
+CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1,0,0.0,
+CCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1,0,0.0,
+CCNC(=O)COC(=O)COc1ccc(Cl)cc1C,0,0.0,
+CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+CCNC(=O)COc1ccc(Br)cc1Cl,0,0.0,
+CCNC(=O)COc1ccc2ccccc2c1,0,0.0,
+CCNC(=O)COn1c(SCC(=O)NCC)nc2ccccc2c1=O,0,0.0,
+CCNC(=O)CP(=O)(c1ccccc1)c1ccccc1,0,0.0,
+CCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCC1=CCCCC1,0,0.0,
+CCNC(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C,0,0.0,
+CCNC(=O)CSc1nc2ccccc2c(=O)n1OC,0,0.0,
+CCNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCNC(=O)N(C(=O)NCC)n1c(C)nnc1C,0,0.0,
+CCNC(=O)N(C)c1nncnc1C(=O)NC,0,0.0,
+CCNC(=O)N1C(=O)C2(OCCO2)c2cc(Br)ccc21,0,0.0,
+CCNC(=O)N1C(=O)C2(OCCO2)c2ccccc21,0,0.0,
+CCNC(=O)N1C(CC(=O)OCC)C(=O)NC2CCCCC21,0,0.0,
+CCNC(=O)N1CCNC(=O)C1CC(=O)Nc1ccc(C(=O)OCC)cc1,0,0.0,
+CCNC(=O)N1CCNC(=O)C1CC(=O)OC,0,0.0,
+CCNC(=O)N1c2ccc(OC)cc2C(C)=CC1(C)C,0,0.0,
+CCNC(=O)N1c2ccc(OCC)cc2C(C)=CC1(C)C,0,0.0,
+CCNC(=O)NC(=O)C(C)OC(=O)c1cccnc1SC,0,0.0,
+CCNC(=O)NC(=O)C(C)Oc1ccc(C(=O)OC)cc1,0,0.0,
+CCNC(=O)NC(=O)C(C)SCc1ccccc1C,0,0.0,
+CCNC(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2[nH]1,0,0.0,
+CCNC(=O)NC(=O)COC(=O)CNC(=O)COc1ccccc1,0,0.0,
+CCNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(=O)NCC,0,0.0,
+CCNC(=O)NC(=O)COc1ccccc1C#N,0,0.0,
+CCNC(=O)NC(=O)CSc1ccc(NC(C)=O)cc1,0,0.0,
+CCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1,0,0.0,
+CCNC(=O)NC(C(=O)OC)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CCNC(=O)NC1(C(=O)Nc2ccc3c(c2)CCC3)CCCCC1,0,0.0,
+CCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12,0,0.0,
+CCNC(=O)Nc1cc2nc(C)n(Cc3ccc(Br)cc3)c2nc1C,0,0.0,
+CCNC(=O)Nn1c(C)nnc1C,0,0.0,
+CCNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C,0,0.0,
+CCNC(=O)c1c(N)sc2c1CCCCC2,0,0.0,
+CCNC(=O)c1c(O)c2cccc3c2n(c1=O)CC3,0,0.0,
+CCNC(=O)c1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccccc2)c1=N,0,0.0,
+CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccc(C)cc2)c1=N,1,100.0,0.0
+CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,0,0.0,
+CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,0,0.0,
+CCNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,0,0.0,
+CCNC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1,0,0.0,
+CCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,0,0.0,
+CCNC(=O)c1nc[nH]c1C(=O)NCC,0,0.0,
+CCNC(=O)c1sc(-c2ccccc2)nc1C,0,0.0,
+CCNC(=O)c1sc(=S)n(CC)c1N,0,0.0,
+CCNCC(O)COCC(O)CNCC,0,0.0,
+CCNCC1(c2ccc(OC)c(OC)c2)CCCC1,1,100.0,
+CCNCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2,0,0.0,
+CCNCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+CCNCCNC(=O)c1c(O)c2ccccc2n(CC)c1=O,0,0.0,
+CCNCc1cc2cc(C)ccc2[nH]c1=O,0,0.0,
+CCNS(=O)(=O)c1c(C)cc(N2CCCC2=O)cc1C,0,0.0,
+CCNS(=O)(=O)c1cc(Br)ccc1OC,0,0.0,
+CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl,0,0.0,
+CCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,1,100.0,1.0
+CCNS(=O)(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1,0,0.0,
+CCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1,0,0.0,
+CCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1,0,0.0,
+CCNS(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1,0,0.0,
+CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1,0,0.0,
+CCNS(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1,0,0.0,
+CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1,0,0.0,
+CCNS(=O)(=O)c1ccc(OC)c(C)c1,0,0.0,
+CCNS(=O)(=O)c1ccc(OCCNS(C)(=O)=O)cc1,0,0.0,
+CCNS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CCCCC2)cc1,0,0.0,
+CCNS(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1,0,0.0,
+CCNc1c(N)c(=O)oc2ccccc12,0,0.0,
+CCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2,1,100.0,
+CCNc1cc(=O)n(C)c(=O)n1C,0,0.0,
+CCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2,0,0.0,
+CCNc1cc2oc(=O)c(CN3CCOCC3)c(C)c2cc1C,0,0.0,
+CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C,0,0.0,
+CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cccc(N(C)C)c1,0,0.0,
+CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+CCNc1ccc(P(=S)(N(C)C)N(C)C)cc1,0,0.0,
+CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C12CCC(CC1)C2,0,0.0,
+CCNc1ccc2c(Cl)cc(=O)oc2c1,0,0.0,
+CCNc1cccc2c1C(=O)N(C)C2=O,0,0.0,
+CCNc1nc(-c2ccc(Cl)cc2)cs1,0,0.0,
+CCNc1nc(C)c2cc(Br)c(=O)n(CC)c2n1,0,0.0,
+CCNc1nc(C)cc(COC)c1C#N,0,0.0,
+CCNc1nc(C)nc2c1oc1ccccc12,0,0.0,
+CCNc1nc(CC)nc2c1oc1ccccc12,0,0.0,
+CCNc1nc(N)c(C(=O)c2ccc(Cl)s2)s1,0,0.0,
+CCNc1nc(N)nc(Oc2ccc(C(=O)OC)cc2)n1,0,0.0,
+CCNc1nc(N)nc(Oc2ccc(OCC)nn2)n1,0,0.0,
+CCNc1nc(N)nc(Oc2ccc(OCCOc3ccc(Cl)cc3Cl)nn2)n1,0,0.0,
+CCNc1nc(N)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1,0,0.0,
+CCNc1nc(N2CCCCC2)nc(-n2nnc(C(=O)OCC)c2C)n1,0,0.0,
+CCNc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1,0,0.0,
+CCNc1nc(NC#N)nc(SCC(=O)OCC)n1,0,0.0,
+CCNc1nc(NC(C)(C)C)nc(N(C#N)CC)n1,0,0.0,
+CCNc1nc(NC(C)(C)C)nc(N(CC)n2cnnc2)n1,0,0.0,
+CCNc1nc(NC(C)(C)C)nc(SC(C(C)=O)C(C)=O)n1,0,0.0,
+CCNc1nc(NC(C)C)nc(N(C#N)C(C)C(=O)N(C)C)n1,0,0.0,
+CCNc1nc(NC(C)C)nc(N(C#N)CC)n1,0,0.0,
+CCNc1nc(NC(C)C)nc(N(C#N)CCOc2ccc(Cl)cc2Cl)n1,0,0.0,
+CCNc1nc(NC(C)C)nc(N(C#N)Cc2ccccc2)n1,0,0.0,
+CCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1,0,0.0,
+CCNc1nc(NC(C)C)nc(Nn2cnnc2)n1,0,0.0,
+CCNc1nc(NC(C)C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1,0,0.0,
+CCNc1nc(NC(C)C)nc(Oc2ccc(OCCOc3ccc(C)cc3)nn2)n1,0,0.0,
+CCNc1nc(NC(C)C)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1,0,0.0,
+CCNc1nc(NCC)n2c(SCC(=O)O)nnc2n1,0,0.0,
+CCNc1nc(NCC)n2c(SCc3nc4ccccc4c(=O)[nH]3)nnc2n1,0,0.0,
+CCNc1nc(NCC)nc(-n2nc(C)cc2C)n1,0,0.0,
+CCNc1nc(NCC)nc(N(C)n2cnnc2)n1,0,0.0,
+CCNc1nc(NCC)nc(Nn2cnnc2)n1,0,0.0,
+CCNc1nc(NCC)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1,0,0.0,
+CCNc1nc(NCC)nc(OCCOC(=O)c2ccccc2)n1,0,0.0,
+CCNc1nc(NCC)nc(Oc2ccc(OCC)nn2)n1,0,0.0,
+CCNc1nc(NCc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1,0,0.0,
+CCNc1nc(OC)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1,0,0.0,
+CCNc1nc(OC)nc(SCC(N)=O)n1,0,0.0,
+CCNc1nc(OCCNS(=O)(=O)c2cc(C)ccc2C)nc(N(C)C)n1,1,100.0,
+CCNc1nc(Oc2ccc(=O)[nH]n2)nc(SC)n1,0,0.0,
+CCNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1,0,0.0,
+CCNc1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1,0,0.0,
+CCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(N(C)C)n1,0,0.0,
+CCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(SC)n1,0,0.0,
+CCNc1nc(Oc2ccc(C(=O)OCC)cc2)nc(SC)n1,0,0.0,
+CCNc1nc(Oc2ccccc2)nc(OC(C)C(=O)OCC)n1,0,0.0,
+CCNc1nc(SC(C(C)=O)C(C)=O)nc(N(C)C)n1,0,0.0,
+CCNc1nc(SC(C)C(=O)Nc2ccccc2)nc(N2CCOCC2)n1,0,0.0,
+CCNc1nc(SC(C)C(=O)OC)nc(N2CCOCC2)n1,0,0.0,
+CCNc1nc(SCC(=O)OC)nc(N2CCOCC2)n1,0,0.0,
+CCNc1nc(SCCOc2ccc(C)cc2)nc(N(C)C)n1,0,0.0,
+CCNc1nc(SCCOc2ccccc2)nc(N(C)C)n1,0,0.0,
+CCNc1nc(SCc2ccccc2)nc(N2CCOCC2)n1,0,0.0,
+CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(C)C,0,0.0,
+CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1,0,0.0,
+CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,0,0.0,
+CCNc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1,0,0.0,
+CCNc1nc2nonc2nc1NCC,0,0.0,
+CCNc1nnc(-c2ccc(C)cc2)o1,0,0.0,
+CCNc1nnc(-c2ccccc2OC)s1,0,0.0,
+CCNc1oc(-c2cccc3ccccc23)nc1C#N,0,0.0,
+CCNc1oc(COc2cccc(C)c2)nc1C#N,0,0.0,
+CCNc1oc(COc2ccccc2F)nc1C#N,0,0.0,
+CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1,0,0.0,
+CCNc1sc(C(=O)c2cccs2)c(N)c1C#N,0,0.0,
+CCO/C(C)=C1\C(=O)N(CC)c2ccccc21,0,0.0,
+CCO/C(C)=N/n1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)c(C)nc21,0,0.0,
+CCO/C(C)=N/n1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)c(C)nc21,0,0.0,
+CCO/C(C)=N/n1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)c(C)nc21,0,0.0,
+CCO/C([O-])=N/c1c[n+](N2CCOCC2)no1,0,0.0,
+CCO/C=C/C(=O)N(C)CCC#N,0,0.0,
+CCO/C=C/C(O)(CNC(=O)COc1ccccc1F)C(F)(F)F,0,0.0,
+CCO/C=C1/C(=O)N(CC)c2ccccc21,0,0.0,
+CCO/C=C1\C(=O)N(c2ccccc2)C(=O)c2ccccc21,0,0.0,
+CCO/C=N/c1c(C#N)c(CC#N)nn1-c1ccccc1,0,0.0,
+CCO/C=N/c1c(C#N)c2c(c(=S)n1C)COC(C)(C)C2,0,0.0,
+CCOC(=O)/C(C#N)=C(/C)c1ccc(OC)cc1,0,0.0,
+CCOC(=O)/C(C#N)=C(\N)C(C)C(=O)Nc1ccccn1,0,0.0,
+CCOC(=O)/C(C#N)=C1/C=C(C)NC(c2ccccc2O)=N1,1,100.0,
+CCOC(=O)/C(C#N)=C1/C=CN(C)C(C)=N1,0,0.0,
+CCOC(=O)/C(C#N)=C1/C=CN(C)C=N1,0,0.0,
+CCOC(=O)/C(C#N)=C1/C=CN(Cc2ccccc2)C=N1,0,0.0,
+CCOC(=O)/C(C#N)=C1/C=CN(c2ccccc2)C=N1,0,0.0,
+CCOC(=O)/C(C#N)=C1/C=CNC(=O)N1,0,0.0,
+CCOC(=O)/C(C#N)=C1/C=Cc2ccccc2N1CC,0,0.0,
+CCOC(=O)/C(C#N)=C1/C=Nc2ccccc2N1,0,0.0,
+CCOC(=O)/C(C#N)=C1/CCCCCN1C,0,0.0,
+CCOC(=O)/C(C#N)=C1/SC(CC)C(=O)N1c1ccc(C)cc1,0,0.0,
+CCOC(=O)/C(C#N)=C1/SC(CCO)C(=O)N1c1ccccc1,0,0.0,
+CCOC(=O)/C(C#N)=C1\Nc2ccccc2N=C1N(CC(C)C)CC(C)C,0,0.0,
+CCOC(=O)/C(C#N)=c1/s/c(=C\C(=O)OC)c(=O)n1-c1ccccc1,0,0.0,
+CCOC(=O)/C(C(C)=O)=C1\OC(=O)c2ccccc21,0,0.0,
+CCOC(=O)/C(C(N)=NC(C)C)=C(\O)c1ccccc1,0,0.0,
+CCOC(=O)/C(C(N)=NC)=C(\O)c1ccccc1,0,0.0,
+CCOC(=O)/C(C(N)=NCCCO)=C(\O)OCC,0,0.0,
+CCOC(=O)/C(C(N)=NCCO)=C(/O)c1ccccc1,0,0.0,
+CCOC(=O)/C(C(N)=NCc1ccco1)=C(/O)c1ccccc1,0,0.0,
+CCOC(=O)/C(CCCN(CC)CC)=N\O,1,100.0,1.0
+CCOC(=O)/C(N=O)=C(\O)C1CCN(C(=O)OCC)CC1,0,0.0,
+CCOC(=O)/C=C(\C)Sc1cc(=O)oc2ccccc12,0,0.0,
+CCOC(=O)/C=C/S(=O)(=O)c1ccc(NC(C)=O)cc1,1,100.0,
+CCOC(=O)/C=C1\CC(=O)Nc2cc(C)c(C)cc2N1,0,0.0,
+CCOC(=O)/C=C1\CC(=O)Nc2nonc2N1,0,0.0,
+CCOC(=O)/C=C1\NC(=O)CS1,0,0.0,
+CCOC(=O)/C=C1\NC(C)(C)Cc2cc(OC)c(O)cc21,0,0.0,
+CCOC(=O)/C=C1\Nc2ccccc2SC1=O,0,0.0,
+CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NC1CCCCC1,0,0.0,
+CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc2c(c1)CCC2,1,100.0,0.0
+CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccccc1OC(F)F,0,0.0,
+CCOC(=O)/C=C1\SCC(=O)N1CC(=O)c1ccc[nH]1,0,0.0,
+CCOC(=O)/C=C1\SCC(=O)N1CC(O)CN1C(=O)CS/C1=C\C(=O)OCC,0,0.0,
+CCOC(=O)/C=C1\SCC(=O)N1CCOc1cccc(Br)c1,0,0.0,
+CCOC(=O)/C=C1\SCC(=O)N1Cc1ccc(Br)cc1,0,0.0,
+CCOC(=O)/C=C1\SCC(=O)N1Cc1nnc(-c2ccccc2Br)o1,0,0.0,
+CCOC(=O)/C=c1\s/c(=C(\C#N)C(=O)OCC)n(-c2ccccc2)c1=O,0,0.0,
+CCOC(=O)/C=c1\s/c(=C\c2ccc3c(c2)OCCO3)c(=O)n1CC(=O)NCC1CCCO1,0,0.0,
+CCOC(=O)/C=c1\s/c(=C\c2ccccc2OC)c(=O)n1CC(=O)N1CCOCC1,0,0.0,
+CCOC(=O)/C=c1\sc2n(c1=O)CCN=2,0,0.0,
+CCOC(=O)/N=C(/NC(=O)Nc1ccc(C(=O)OCC)cc1)OC,0,0.0,
+CCOC(=O)C(C#N)C(Cc1ccccc1)c1ccco1,0,0.0,
+CCOC(=O)C(C#N)C(c1cccnc1)c1c(C)[nH][nH]c1=O,0,0.0,
+CCOC(=O)C(C#N)c1ccccn1,0,0.0,
+CCOC(=O)C(C(=O)N1CCOCC1)C1CCCCC1,0,0.0,
+CCOC(=O)C(C(=O)Nc1cccc(C)n1)C1CCCCC1,0,0.0,
+CCOC(=O)C(C(=O)Nc1ccccc1)C1CCCCC1,0,0.0,
+CCOC(=O)C(C(=O)Nc1ccccn1)C1CCCCC1,0,0.0,
+CCOC(=O)C(C(=O)Nc1nccs1)C1CCCCC1,0,0.0,
+CCOC(=O)C(C(=O)OCC)=C1OC(=O)c2ccccc21,0,0.0,
+CCOC(=O)C(C(=O)OCC)C(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCOC(=O)C(C(=O)OCC)C(C#N)c1ccccc1,0,0.0,
+CCOC(=O)C(C(=O)OCC)C(C)C#CCN1CCCCC1,0,0.0,
+CCOC(=O)C(C(=O)OCC)C(CC(=O)C1CC1)c1ccccc1,0,0.0,
+CCOC(=O)C(C(=O)OCC)C(NS(=O)(=O)c1ccccc1)(C(=O)OC)C(F)(F)F,0,0.0,
+CCOC(=O)C(C(=O)OCC)C1N=C(N)N=C2Oc3ccccc3N21,0,0.0,
+CCOC(=O)C(C(=O)OCC)N(C#N)c1nc(SC)nc(N(C)C)n1,0,0.0,
+CCOC(=O)C(C(=O)OCC)[C@@H]1CS(=O)(=O)C[C@H]1C(C(=O)OCC)C(=O)OCC,0,0.0,
+CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3,0,0.0,
+CCOC(=O)C(C(=O)OCC)c1nc(C)nc2c1nnn2Cc1ccccc1Cl,0,0.0,
+CCOC(=O)C(C(C)=O)=C1SC2CS(=O)(=O)CC2S1,0,0.0,
+CCOC(=O)C(C(C)=O)C(c1ccc(OC)cc1)C(C(C)=O)C(=O)OCC,0,0.0,
+CCOC(=O)C(C(C)=O)c1c(Br)c(O)c(O)c2c(C(=O)c3ccc(C)cc3)coc12,0,0.0,
+CCOC(=O)C(C(C)=O)c1nc(C)nc2c1nnn2Cc1ccccc1Cl,0,0.0,
+CCOC(=O)C(C)(C)C(=O)C(C)(C)C(O)c1ccccn1,0,0.0,
+CCOC(=O)C(C)(C)Sc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1,0,0.0,
+CCOC(=O)C(C)(C)Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1,0,0.0,
+CCOC(=O)C(C)C1(O)c2ccccc2-c2ncccc21,0,0.0,
+CCOC(=O)C(C)NC(=O)C(NC(=O)C1CCC(CC)CC1)C(C)C,0,0.0,
+CCOC(=O)C(C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3,0,0.0,
+CCOC(=O)C(C)Oc1ccc(=O)n(-c2ccccc2)n1,0,0.0,
+CCOC(=O)C(C)Oc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1,0,0.0,
+CCOC(=O)C(C)Oc1ccc(C2NC(=O)NC(C)=C2C(C)=O)cc1Br,0,0.0,
+CCOC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1C(C)=O,0,0.0,
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)N3CCN(C(=O)OCC)CC3)ccc12,0,0.0,
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)N3CCc4ccccc43)ccc12,0,0.0,
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)ccc12,0,0.0,
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCc3ccco3)ccc12,0,0.0,
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12,0,0.0,
+CCOC(=O)C(C)Oc1ccccc1C1NC(=O)NC(C)=C1C(=O)Nc1ccc(C)c(C)c1,0,0.0,
+CCOC(=O)C(C)Oc1nc(Oc2ccccc2)nc(N(C)C)n1,0,0.0,
+CCOC(=O)C(C)On1c(SC(C)C(=O)OCC)nc2ccccc2c1=O,0,0.0,
+CCOC(=O)C(C)Sc1ccc2nnc(-c3ccc(F)cc3)n2n1,0,0.0,
+CCOC(=O)C(C)Sc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOC(=O)C(C)Sc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N,0,0.0,
+CCOC(=O)C(C)Sc1nc(-c2cccs2)ccc1C#N,0,0.0,
+CCOC(=O)C(C)Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[nH]1,0,0.0,
+CCOC(=O)C(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C,0,0.0,
+CCOC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl,0,0.0,
+CCOC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CCOC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1,0,0.0,
+CCOC(=O)C(C)Sc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1,0,0.0,
+CCOC(=O)C(C)Sc1ncnc2c1nnn2-c1ccc(F)cc1,0,0.0,
+CCOC(=O)C(C)Sc1ncnc2nc[nH]c12,0,0.0,
+CCOC(=O)C(C)Sc1nnc(-c2c[nH]c3ccccc23)n1C,0,0.0,
+CCOC(=O)C(C)Sc1nnc(-c2ccccc2O)n1-c1ccc(C)cc1,0,0.0,
+CCOC(=O)C(C)Sc1nnc(-c2ccccc2O)n1Cc1ccccc1,0,0.0,
+CCOC(=O)C(C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1,0,0.0,
+CCOC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1,0,0.0,
+CCOC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OCC)cc1,0,0.0,
+CCOC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1,0,0.0,
+CCOC(=O)C(C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1,0,0.0,
+CCOC(=O)C(C)c1n[nH]c(=O)c2ccccc12,0,0.0,
+CCOC(=O)C(C)c1nc2ccccc2[nH]c1=O,0,0.0,
+CCOC(=O)C(C)c1nn(C)c(=O)c2ccccc12,0,0.0,
+CCOC(=O)C(C)n1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,0,0.0,
+CCOC(=O)C(C)n1cnc2c(nnn2-c2ccc(C)cc2)c1=O,0,0.0,
+CCOC(=O)C(C)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O,0,0.0,
+CCOC(=O)C(C)n1cnc2c(nnn2-c2cccc(Cl)c2)c1=O,0,0.0,
+CCOC(=O)C(C)n1cnc2c(nnn2Cc2ccc(C)cc2)c1=O,0,0.0,
+CCOC(=O)C(C)n1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O,0,0.0,
+CCOC(=O)C(C)n1cnc2c(oc3ccccc32)c1=O,0,0.0,
+CCOC(=O)C(C)n1cnc2sc3c(c2c1=O)CCC3,0,0.0,
+CCOC(=O)C(C)n1nc(C)c2sc3ccccc3c2c1=O,0,0.0,
+CCOC(=O)C(CC(=O)O)N1CCCCC1,0,0.0,
+CCOC(=O)C(CC(C)C)CP(=O)(O)CNC(=O)OCc1ccccc1,0,0.0,
+CCOC(=O)C(CC)(CCC(=O)Nc1nncs1)C(=O)OCC,0,0.0,
+CCOC(=O)C(CC)(CCC(=O)O)c1csc(N)n1,0,0.0,
+CCOC(=O)C(CC)Sc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOC(=O)C(CC)Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[nH]1,0,0.0,
+CCOC(=O)C(CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl,0,0.0,
+CCOC(=O)C(CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CCOC(=O)C(CC)Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1,0,0.0,
+CCOC(=O)C(CC)Sc1ncnc2c1nnn2-c1ccc(F)cc1,0,0.0,
+CCOC(=O)C(CC)Sc1ncnc2nc[nH]c12,0,0.0,
+CCOC(=O)C(CC)Sc1nnc2n1C(C)(C)Cc1ccccc1-2,0,0.0,
+CCOC(=O)C(CC)n1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,1,100.0,
+CCOC(=O)C(CC)n1cnc2c(nnn2-c2ccc(C)cc2)c1=O,0,0.0,
+CCOC(=O)C(CC)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O,0,0.0,
+CCOC(=O)C(CC)n1cnc2c(oc3ccccc32)c1=O,0,0.0,
+CCOC(=O)C(CC)n1cnc2sc3c(c2c1=O)CCC3,0,0.0,
+CCOC(=O)C(CC)n1nc(C)n2c(cc3sccc32)c1=O,0,0.0,
+CCOC(=O)C(CCC#N)(CCC#N)C(=O)OCC,0,0.0,
+CCOC(=O)C(CCCOc1cccc(OC)c1)C(=O)OCC,0,0.0,
+CCOC(=O)C(CCOc1cccc(CC)c1)C(=O)OCC,0,0.0,
+CCOC(=O)C(CCSC)NC(=O)CN,0,0.0,
+CCOC(=O)C(CCc1nnc(N)s1)C(=O)OCC,0,0.0,
+CCOC(=O)C(CO)(NC(C)=O)C(=O)OCC,1,100.0,
+CCOC(=O)C(Cc1c(F)cccc1F)(NC(C)=O)C(=O)OCC,0,0.0,
+CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(C)=O,0,0.0,
+CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccco1,0,0.0,
+CCOC(=O)C(Cc1cc(C(C)=O)ccc1OC(C)C)C(=O)OCC,0,0.0,
+CCOC(=O)C(Cc1cc(C(C)=O)ccc1OCC)C(=O)OCC,0,0.0,
+CCOC(=O)C(Cc1ccccc1)C(=O)Nc1nccs1,0,0.0,
+CCOC(=O)C(Cc1ccccc1)NC(=O)CCc1c(C)nc2ncnn2c1C,0,0.0,
+CCOC(=O)C(Cc1ccccc1)NC(=O)CNC(C)=O,0,0.0,
+CCOC(=O)C(Cc1ccccc1)NC(=O)Cn1nnc(-c2ccccc2)n1,0,0.0,
+CCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+CCOC(=O)C(N)CSC1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O,0,0.0,
+CCOC(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)OCC,0,0.0,
+CCOC(=O)C(NC(=O)CC(C)C)(Nc1cc(C)on1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)CC)(Nc1cc(C)on1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)CC)(Nc1ccccc1OC)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)CC)(Nc1sc2c(c1C(=O)OC)CCN(C)C2)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(O)c1ccccc1,0,0.0,
+CCOC(=O)C(NC(=O)N1CCCCC1)(c1ccccc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)Nc1ccc(F)cc1)(OCC)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)Nc1cccc(C)n1)(OCC(F)(F)F)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)Nc1ccccc1)(OCC)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)Nc1ncccn1)(Oc1ccccc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)OC(C)C)(Nc1nccs1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)c1ccc(F)cc1)(Nc1nnc(C)s1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)c1ccc(OC)cc1)(N1CCOCC1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)c1ccc(OC)cc1)(Nc1cc(C)on1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)c1ccc(OC)cc1)(OCC1(CC)COC1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)c1ccccc1)(N1CCCC1=O)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)c1ccccc1)(N1CCOCC1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)c1ccccc1)(Nc1cc(C)on1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)c1ccccc1)=C1C=C(C)OC(C)=C1,0,0.0,
+CCOC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1,0,0.0,
+CCOC(=O)C(NC(=O)c1ccccc1OCC)(Nc1ncccn1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(=O)c1cccnc1)(Nc1cccc(C)n1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(C)=O)(N1CCOCC1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(C)=O)(N1CCc2ccccc2C1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(C)=O)(NS(=O)(=O)c1ccccc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(C)=O)(Nc1ccc(F)cc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(C)=O)(Nc1cccc(F)c1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(C)=O)(OCc1ccc(F)cc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NC(C)=O)C(OC(C)=O)c1cccc(N(CCO)CCO)c1,0,0.0,
+CCOC(=O)C(NC=O)(NC(C)(C)C)C(=O)OCC,0,0.0,
+CCOC(=O)C(NCCCO)c1ccccc1,0,0.0,
+CCOC(=O)C(NCc1ccc2c(c1)OCO2)(NC(=O)CC)C(F)(F)F,0,0.0,
+CCOC(=O)C(NCc1ccccc1OC)(NC(C)=O)C(F)(F)F,0,0.0,
+CCOC(=O)C(NCc1ccccn1)(NC(=O)c1cccnc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(NS(=O)(=O)c1ccc(Br)cc1)C(C)C,0,0.0,
+CCOC(=O)C(O)(C1C(=O)CC(C)(C)CC1=O)C(F)(F)F,0,0.0,
+CCOC(=O)C(O)(CCC(O)(C(=O)OCC)C(=O)OCC)C(=O)OCC,0,0.0,
+CCOC(=O)C(O)(NC(=O)c1cccnc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(O)(c1ccc(N(CC)C(=O)OC)cc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(O)(c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F,0,0.0,
+CCOC(=O)C(O)(c1ccc(N)c(OC)c1)C(F)(F)F,0,0.0,
+CCOC(=O)C(O)(c1ccc(NC(=O)c2ccco2)c(OC)c1)C(F)(F)F,0,0.0,
+CCOC(=O)C(O)(c1cn(C)c2ccccc12)C(F)(F)F,0,0.0,
+CCOC(=O)C(OC(=O)c1sc(=S)n(C)c1C)C(C)=O,0,0.0,
+CCOC(=O)C(Oc1ccc(=O)[nH]n1)C(C)=O,0,0.0,
+CCOC(=O)C(Oc1ccc(=O)n(-c2ccccc2)n1)C(C)=O,0,0.0,
+CCOC(=O)C(Sc1ncn[nH]1)c1ccccc1,0,0.0,
+CCOC(=O)C(Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)OCC,0,0.0,
+CCOC(=O)C(c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1,0,0.0,
+CCOC(=O)C1(C(=O)OCC)C(c2ccccc2)CC(O)N1C(C)=O,0,0.0,
+CCOC(=O)C1(C(F)(F)F)N=C(N(C)C)OC(N(C)C)=N1,0,0.0,
+CCOC(=O)C1(C(F)(F)F)N=C(c2cccnc2)OC(N2CCOCC2)=N1,0,0.0,
+CCOC(=O)C1(C)NC(c2cc(OC)c(OC)c(OC)c2)C2C(=O)N(CC)C(=O)C21,0,0.0,
+CCOC(=O)C1(C)NC(c2ccc(N(C)C)cc2)C2C(=O)N(CC)C(=O)C21,0,0.0,
+CCOC(=O)C1(C)NC(c2ccc(N(C)C)cc2)C2C(=O)N(c3ccc(OC)cc3)C(=O)C21,0,0.0,
+CCOC(=O)C1(C)NC(c2ccc(OC)c(OC)c2)C2C(=O)N(CC)C(=O)C21,0,0.0,
+CCOC(=O)C1(C)NC(c2ccc(OC)cc2OC)C2C(=O)N(c3cccc(OC)c3)C(=O)C21,0,0.0,
+CCOC(=O)C1(C)NC(c2ccccc2F)C2C(=O)N(c3cccc(C(C)=O)c3)C(=O)C21,0,0.0,
+CCOC(=O)C1(CC)CC(CSc2nc3ccccc3[nH]2)OC1=O,0,0.0,
+CCOC(=O)C1(CC)NC(c2ccc(N(C)C)cc2)C2C(=O)N(C)C(=O)C21,0,0.0,
+CCOC(=O)C1(CC)NC(c2cccc(F)c2)C2C(=O)N(CC)C(=O)C21,0,0.0,
+CCOC(=O)C1(CC)NC(c2ccco2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21,0,0.0,
+CCOC(=O)C1(CCSC)NC(c2ccco2)C2C(=O)N(C)C(=O)C21,0,0.0,
+CCOC(=O)C1(CCSC)NC(c2ccco2)C2C(=O)N(CC)C(=O)C21,0,0.0,
+CCOC(=O)C1(Cc2ccc(O)cc2)NC(c2ccccc2F)C2C(=O)N(C)C(=O)C21,0,0.0,
+CCOC(=O)C1(Cc2ccc(O)cc2)NC(c2ccco2)C2C(=O)N(c3ccccc3F)C(=O)C21,0,0.0,
+CCOC(=O)C1(Cc2ccccc2)NC(c2ccccc2F)C2C(=O)N(CC)C(=O)C21,0,0.0,
+CCOC(=O)C1(N(CC)CC)Sc2cc(C)ccc2NC1=O,0,0.0,
+CCOC(=O)C1(Nc2nccs2)Sc2ccccc2NC1=O,0,0.0,
+CCOC(=O)C1(O)CSc2nc3sc(C(=O)O)c(C)c3c(=O)n21,0,0.0,
+CCOC(=O)C1(c2ccccc2)CCN(Cc2cccc(C(=O)O)c2)CC1,1,100.0,0.0
+CCOC(=O)C1(c2ccccc2)NC(c2ccc(N(C)C)cc2)C2C(=O)N(C)C(=O)C21,0,0.0,
+CCOC(=O)C1(c2csc(N)n2)COC(=O)C1,0,0.0,
+CCOC(=O)C1(c2nc(N)cs2)COC(=O)C1,0,0.0,
+CCOC(=O)C1/C(=N\O)CC(C)(O)C(C(=O)OCC)C1c1ccc(N(C)C)cc1,0,0.0,
+CCOC(=O)C1/C(=N\O)CC(C)(O)C(C(=O)OCC)C1c1ccc(OC)c(OC)c1,0,0.0,
+CCOC(=O)C12CNC(=O)C(C(=O)OCC)(CNC1=O)C2,0,0.0,
+CCOC(=O)C1=C(C(C)=O)C(c2cccnc2)C(C#N)=C(N)O1,0,0.0,
+CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc2c(cc1Br)OCO2,0,0.0,
+CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(C)s1,0,0.0,
+CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cccc(O)c1,0,0.0,
+CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1OC,0,0.0,
+CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccccn1,0,0.0,
+CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccncc1,0,0.0,
+CCOC(=O)C1=C(C)N(C)C2(C)CC1c1ccccc1O2,1,100.0,0.0
+CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)C1,0,0.0,
+CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1cccc(O)c1,0,0.0,
+CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1ccccc1,0,0.0,
+CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1CC(=O)O,0,0.0,
+CCOC(=O)C1=C(C)N(c2nonc2NC(C)=O)C(N)=C(C#N)C1c1ccccc1F,0,0.0,
+CCOC(=O)C1=C(C)N2C(=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1)SC[C@@]2(O)C(C)(C)C,0,0.0,
+CCOC(=O)C1=C(C)N=C(/N=C/N(C)C)SC1c1ccccc1,0,0.0,
+CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1/C=C/c1ccccc1OC,0,0.0,
+CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(C(=O)OC)cc1,0,0.0,
+CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OC(C)=O)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OC(C)=O)c(OCC)c1,0,0.0,
+CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OCC)c(OCC)c1,0,0.0,
+CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(F)c1,0,0.0,
+CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1ccc(OC(C)=O)c(OCC)c1,0,0.0,
+CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(F)c1,0,0.0,
+CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(Br)ccc1OC,0,0.0,
+CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(C(=O)OC)cc1,0,0.0,
+CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccs1,0,0.0,
+CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1sccc1C,0,0.0,
+CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2C1c1cccc(OC)c1,0,0.0,
+CCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2C1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccn3C)c(=O)n2C1c1cccc(OC)c1OC,0,0.0,
+CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2C1c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)C(C#N)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)C(C#N)C1c1ccncc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)C(C(N)=O)C12CCCCC2,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)C(C(N)=O)C1c1ccccc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)C1(NC(=O)c1cccnc1)C(F)(F)F,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)C1CC(=O)Nc1ccccc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccc(Cl)cc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1/C(C)=C/c1ccccc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1/C=C/c1ccccc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1C,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1c(C)nn(-c2ccccc2)c1Cl,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1c(O)ccc2ccccc12,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1c(OCC(=O)N2CCCCC2)ccc2ccccc12,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1cc(Br)c(O)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1cc(C)sc1C,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1cc2c(cc1Br)OCO2,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Br)s1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(C)o1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1Cl,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(F)cc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(CC)CC)cc1,1,100.0,1.0
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(NC(C)=O)cc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(=O)c2ccco2)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(C)C(=O)O)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(CN2CCOCC2)c1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(Cl)c1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)N2CCCCC2)cc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)OC)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCCO)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc2c(c1)OCCO2,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1cccc(O)c1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1Cl,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1,0,0.0,
+CCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OC1CCOC1=O,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCC(C)CC1,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCCCC1CC,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCc2ccccc21,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCc2ccccc2C1,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C1=COCCO1,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(N)ccc1OC(F)F,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc2ccc(C)cc2[nH]c1=O,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(O)cc1,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccn1,0,0.0,
+CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1nc2ccccc2[nH]1,0,0.0,
+CCOC(=O)C1=C(C)NC(SC(C)=O)=NC1c1ccc(OC(C)=O)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)on2)=C(C#N)C1c1cccs1,0,0.0,
+CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nc(C)cs2)=C(C#N)C1c1cccs1,0,0.0,
+CCOC(=O)C1=C(C)NC(SCC(=O)O)=NC1c1ccccc1,0,0.0,
+CCOC(=O)C1=C(C)NC(SCC(=O)OC)=C(C#N)C1c1ccc(C(=O)OC)cc1,0,0.0,
+CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1ccncc1,0,0.0,
+CCOC(=O)C1=C(C)NC(SCc2cc(=O)[nH][nH]2)=C(C#N)C1c1cccs1,0,0.0,
+CCOC(=O)C1=C(C)NC2(O)c3ccccc3C(=O)C12O,0,0.0,
+CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(OC)c(O)c1,0,0.0,
+CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3ccco3)C2)C1c1ccccn1,0,0.0,
+CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(N(C)C)cc1,0,0.0,
+CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc2c(c1)CCCN2C,0,0.0,
+CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(C)n1,0,0.0,
+CCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1ccc(C)o1,0,0.0,
+CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc(OC)ccc1OC,0,0.0,
+CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1,1,100.0,1.0
+CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccs1,0,0.0,
+CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccsc1,0,0.0,
+CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1,0,0.0,
+CCOC(=O)C1=C(C)Nc2nc(C)nn2C1c1cc(OC)ccc1OC,0,0.0,
+CCOC(=O)C1=C(C)Nc2nc(C)nn2C1c1ccc(C)cc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2nc(C)nn2C1c1ccc(OC)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(C)Nc2nc(C)nn2C1c1ccc(OCC)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(C)Nc2nc(SC)nn2C1c1ccc(C(=O)OC)cc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2C1c1cc(F)cc(F)c1,0,0.0,
+CCOC(=O)C1=C(C)Nc2nc(SCC)[nH]c(=O)c2C1c1ccncc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2nc(SCc3cccnc3)nn2C1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccncc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2ncnn2C1/C=C/c1ccccc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1c[nH]c2ccccc12,0,0.0,
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1cc(Br)ccc1F,0,0.0,
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1cc(OC)ccc1OC,0,0.0,
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc(N(C)C)cc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1F,0,0.0,
+CCOC(=O)C1=C(C)Nc2nnnn2C1c1c[nH]c2ccccc12,0,0.0,
+CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccc(OC)c(Br)c1,0,0.0,
+CCOC(=O)C1=C(C)Nc2nnnn2C1c1cccc(OC)c1OC,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C12C(=O)Nc1ccc(C)cc12,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1C1CCCCC1,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccc(C)cc2)c1Cl,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccccc2)c1Cl,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(OC)c2c(c1)OCO2,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2c(cc1Br)OCO2,1,100.0,1.0
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2ccccc2nc1N1CCCCC1,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)c(C)c1OC,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccsc1,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)C12C(=O)Nc1ccc(Br)cc12,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C12C(=O)Nc1ccc(Br)cc12,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1ccncc1,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@]12C(=O)N(CC(N)=O)c1ccccc12,0,0.0,
+CCOC(=O)C1=C(C)S/C(=C\N(C)C)C1=O,0,0.0,
+CCOC(=O)C1=C(C)SC2=NS(=O)(=O)CCN21,0,0.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)Nc1ccccc1OC,1,100.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1,1,100.0,1.0
+CCOC(=O)C1=C(CC)OC(N)=C(C#N)C1c1cc(OC)ccc1OC,0,0.0,
+CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)NC1c1ccc(Cl)cc1,0,0.0,
+CCOC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)NC1c1cccs1,0,0.0,
+CCOC(=O)C1=C(CN2CCOCC2)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+CCOC(=O)C1=C(CN2CCSCC2)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+CCOC(=O)C1=C(CNCCc2ccc(Cl)cc2)NC(=O)NC1c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)NC1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)NC1c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(C)c2)NC(=O)NC1c1ccc(O)c(O)c1,0,0.0,
+CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)NC1c1ccccc1,0,0.0,
+CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)NC1c1ccccc1OCC,0,0.0,
+CCOC(=O)C1=C(CSCc2ccco2)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+CCOC(=O)C1=C(CSc2n[nH]c(N)n2)NC(=O)NC1C,0,0.0,
+CCOC(=O)C1=C(CSc2nc(-c3ccncc3)ccc2C#N)OC(N)=C(C#N)C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)C1c1cccs1,0,0.0,
+CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)C1c1cccc(OC)c1OC,0,0.0,
+CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)C1c1ccccc1,0,0.0,
+CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)C1c1ccccc1,0,0.0,
+CCOC(=O)C1=C(CSc2nccn2C)NC(=O)NC1c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)C1=C(CSc2nncn2C)NC(=O)NC1c1cc(OCC)ccc1OCC,0,0.0,
+CCOC(=O)C1=C(Cn2ccc(C(F)(F)F)n2)NC(=O)NC1c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+CCOC(=O)C1=C(N)N(c2ccc(N3CCCCC3)cc2)C(=O)C1,0,0.0,
+CCOC(=O)C1=C(N)N(c2ccccc2Oc2ccccc2)C(=O)C1,0,0.0,
+CCOC(=O)C1=C(N)N2C(=O)C(C)SC2=C(C(=O)OC)C1c1ccccc1OC,0,0.0,
+CCOC(=O)C1=C(N)N2C(=O)C(C)SC2=C(C(=O)OCC)C1c1ccccc1,0,0.0,
+CCOC(=O)C1=C(N)N2C(=O)CSC2=C(C(=O)OC)C1,0,0.0,
+CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)C12C(=O)Nc1ccccc12,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccccc12,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1C1CCCCC1,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1OCC#N,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccoc1,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N1c3c(ccc(C)c32)C(C)=CC1(C)C,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)Nc1ccccc12,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccc(C)s1,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1OCC,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1cccs1,0,0.0,
+CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)C12C(=O)N(C)c1ccccc12,0,0.0,
+CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c1c(F)cccc1Cl,0,0.0,
+CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1ccncc1,0,0.0,
+CCOC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C12C(=O)N1c3c(cc(OC)cc32)C(C)=CC1(C)C,0,0.0,
+CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C12C(=O)N1c3c(cccc32)C(C)=CC1(C)C,0,0.0,
+CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C12C(=O)N1c3c(cccc32)C(C)CC1(C)C,0,0.0,
+CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(N)c2ccccc2CC1C(C)C,0,0.0,
+CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccco3)c2=O)=C(C(=O)OC)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccnc3)c2=O)=C(C#N)C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccnc3)c2=O)=C(C(=O)OC)C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccnc3)c2=O)=C(C(=O)OCC)C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(=O)OC(C)C)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(=O)OCC)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccs3)c2=O)=C(C(=O)OCC)C1c1cccs1,0,0.0,
+CCOC(=O)C1=C(N2CCCCC2)c2cc3c(n2C1=O)CCCC3,0,0.0,
+CCOC(=O)C1=C(NC#N)OC(C)=C(C)C1c1ccc(O)cc1,0,0.0,
+CCOC(=O)C1=C(NC(=O)c2ccc(Br)o2)Nc2ccccc2N=C1,0,0.0,
+CCOC(=O)C1=C(Nc2cccc(Cl)c2)OCC1=O,0,0.0,
+CCOC(=O)C1=C(Nc2ccccc2)OCC1=O,0,0.0,
+CCOC(=O)C1=C(O)/C(=C/N(C)C)N=C1C,0,0.0,
+CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccccc1,0,0.0,
+CCOC(=O)C1=C(O)C(Nc2nccs2)(C(F)(F)F)N=C1C,0,0.0,
+CCOC(=O)C1=C(O)CCn2c1nc1ccccc12,1,100.0,0.0
+CCOC(=O)C1=C(O)CSC1=Nc1ccc(Cl)cc1,0,0.0,
+CCOC(=O)C1=C(O)CSC1=Nc1cccc(Cl)c1,0,0.0,
+CCOC(=O)C1=C(O)CSC1=Nc1ccccc1,0,0.0,
+CCOC(=O)C1=C(SCC(=O)Nc2ccccc2)NC(=O)C(C#N)C12CCCCC2,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)NC1c1ccc(O)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)NC1c1ccc(OC(F)F)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)N2CCN=C2S1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)N2CCS(=O)(=O)N=C2S1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2C1c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(N(C)C)cc1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(OCC#N)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCCC2)=C(C#N)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C)=C(C#N)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)Nc2nc(C)nn2C1c1cccc(OC)c1OC,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2C1c1cc(OC)cc(OC)c1OC,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2C1c1cc(OC)ccc1OC,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2C1c1cccc(OC)c1OC,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2C1c1ccccn1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1C(C)C,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C2N(C)c3ccccc3N2CCC1=O,0,0.0,
+CCOC(=O)C1=C2SCCN2C(=O)C(C#N)C1(C)C,0,0.0,
+CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccsc1,1,100.0,
+CCOC(=O)C1=CSC2=NS(=O)(=O)CCN12,0,0.0,
+CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32,0,0.0,
+CCOC(=O)C1=Nc2ccccc2C1=[N+]=[N-],0,0.0,
+CCOC(=O)C1C(=O)C(C(=O)OCC)C(c2cccnc2)NC1c1cccnc1,0,0.0,
+CCOC(=O)C1C(=O)C=C(C)C(C(=O)OCC)C1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1C(=O)C=C(N2CCOCC2)CC1c1cccc(OC)c1,0,0.0,
+CCOC(=O)C1C(=O)C=C(c2ccc(OC)cc2)CC1c1ccco1,0,0.0,
+CCOC(=O)C1C(=O)C=C(c2cccc(NS(C)(=O)=O)c2)CC1c1ccco1,0,0.0,
+CCOC(=O)C1C(=O)CC(=O)CC1CC(C)SCC,0,0.0,
+CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1/C=C/c1ccccc1,0,0.0,
+CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1cc(Br)ccc1OC,0,0.0,
+CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(Br)cc1,0,0.0,
+CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(Br)o1,0,0.0,
+CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(C)s1,0,0.0,
+CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(OCC)cc1,0,0.0,
+CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1cccc(OC(F)(F)C(F)F)c1,0,0.0,
+CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1cccc(OC)c1,0,0.0,
+CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccccc1OC,0,0.0,
+CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccco1,0,0.0,
+CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1cccs1,0,0.0,
+CCOC(=O)C1C(=O)CC(O)(c2ccccc2)CC1c1ccccc1,0,0.0,
+CCOC(=O)C1C(=O)N(C(=O)c2ccc(OC)cc2)CC1c1ccccc1,0,0.0,
+CCOC(=O)C1C(=O)N(C(=O)c2cncc(Br)c2)CC1c1ccccc1,0,0.0,
+CCOC(=O)C1C(=O)N(C)C2(C)CC1c1cc(OC)ccc1O2,0,0.0,
+CCOC(=O)C1C(=O)N(C)C2(C)CC1c1ccccc1O2,0,0.0,
+CCOC(=O)C1C(=O)NC(C)C1c1ccccc1,0,0.0,
+CCOC(=O)C1C(=O)NC(N2CCCCC2)=NC1c1ccco1,0,0.0,
+CCOC(=O)C1C(=O)NC(N2CCN(CC)CC2)=NC1c1ccccc1,0,0.0,
+CCOC(=O)C1C(=O)NC(N2CCN(Cc3ccccc3)CC2)=NC1c1ccco1,0,0.0,
+CCOC(=O)C1C(=O)NC(N2CCN(c3ccccc3)CC2)=NC1c1ccco1,0,0.0,
+CCOC(=O)C1C(=O)NC(N2CCOCC2)=NC1c1ccco1,0,0.0,
+CCOC(=O)C1C(=O)NC(N2CCc3ccccc32)=NC1c1ccccc1,0,0.0,
+CCOC(=O)C1C(=O)NC(SC)=C(C#N)C1c1ccccc1F,0,0.0,
+CCOC(=O)C1C(=O)NC(SCC(=O)Nc2nccs2)=C(C#N)C1c1ccccc1OCC,0,0.0,
+CCOC(=O)C1C(=O)NC(SCC(=O)OC)=C(C#N)C1c1ccccc1OCC,0,0.0,
+CCOC(=O)C1C(=O)NC(SCC(N)=O)=C(C#N)C1c1ccccc1OCC,0,0.0,
+CCOC(=O)C1C(=O)NC2(C)CC1c1cc(OC)ccc1O2,0,0.0,
+CCOC(=O)C1C(=O)NC23CCCC2C1c1ccccc1O3,0,0.0,
+CCOC(=O)C1C(=O)NCC2CCCC21,0,0.0,
+CCOC(=O)C1C(=O)Nc2nc(C)nn2C1c1ccccc1,0,0.0,
+CCOC(=O)C1C(=O)Nc2nc3ccccc3n2C1C(C)C,0,0.0,
+CCOC(=O)C1C(=O)OC(C)(C)C1C(C)C(=O)c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1C(=O)OC2(CCCC2)C1C(=O)OCC,0,0.0,
+CCOC(=O)C1C(=O)OC2(CCOC(C)(C)C2)C1C(=O)OCC,0,0.0,
+CCOC(=O)C1C(=O)Oc2ccc3ccccc3c2C1C1CCOC1=O,0,0.0,
+CCOC(=O)C1C(C#N)=C(N)OC(C)=C1c1ccncc1,0,0.0,
+CCOC(=O)C1C(C)=CC(=O)CC1c1ccco1,0,0.0,
+CCOC(=O)C1C(c2ccc(C)o2)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CCOC(=O)C1C(c2ccc3c(c2)OCO3)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CCOC(=O)C1C(c2cccc(Cl)c2Cl)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CCOC(=O)C1C(c2ccccc2Cl)NC(=O)N(C)C1(O)C(F)(F)F,0,0.0,
+CCOC(=O)C1C(c2cccs2)NC(=O)NC1(O)C(F)(F)F,0,0.0,
+CCOC(=O)C1C2C=CC3(CN(C4CCCC4)C(=O)C13)O2,0,0.0,
+CCOC(=O)C1C2C=CC3(CN(CCc4ccccc4)C(=O)C13)O2,0,0.0,
+CCOC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2,0,0.0,
+CCOC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2,0,0.0,
+CCOC(=O)C1C2C=CC3(CN(c4ccc(Cl)c(F)c4)C(=O)C13)O2,0,0.0,
+CCOC(=O)C1C2C=CC3(CN(c4cccc(Cl)c4)C(=O)C13)O2,0,0.0,
+CCOC(=O)C1C2C=CC3(CN(c4ccccc4CC)C(=O)C13)O2,0,0.0,
+CCOC(=O)C1C2NC(=O)N(Cc3ccccc3)C1(C)Oc1c(OC)cccc12,0,0.0,
+CCOC(=O)C1C2c3ccccc3O[C@@]1(C)N=C1SCC(=O)N12,1,100.0,
+CCOC(=O)C1CC=C(Cl)CC1C(=O)Nc1nccs1,0,0.0,
+CCOC(=O)C1CCCCC12C(C#N)=C(N)Oc1n[nH]c(C)c12,0,0.0,
+CCOC(=O)C1CCCCN1C(=O)CCc1c(C)nc2cc(-c3ccccc3)nn2c1C,0,0.0,
+CCOC(=O)C1CCCCN1C(=O)CCc1c(C)nc2ncnn2c1C,0,0.0,
+CCOC(=O)C1CCCCN1Cc1cc(Cl)ccc1O,0,0.0,
+CCOC(=O)C1CCCCN1Cc1ccc(F)c(Br)c1,0,0.0,
+CCOC(=O)C1CCCCN1Cc1ccc(OC)c(OC)c1OC,0,0.0,
+CCOC(=O)C1CCCCN1Cc1ccccc1C(F)(F)F,0,0.0,
+CCOC(=O)C1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)C2CC(=O)N(c3ccc(C)cc3)C2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)C2c3ccccc3Oc3ccccc32)C1,1,100.0,
+CCOC(=O)C1CCCN(C(=O)CC(C)c2ccccc2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CCC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CCCOc2cc(=O)n(C)c3ccccc23)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CCCn2nc(C)n3c(cc4sccc43)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CCc2ccccc2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CCn2nc(-c3ccccc3)ccc2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)noc2C)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CN2C(=O)C(CC)Oc3ccc(C)cc32)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)COC(=O)C2=COCCO2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)CSc2nccn2C)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)Cc2c(F)cccc2Cl)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)Cn2cccc2C(=O)c2ccccc2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)Cn2nc(CC)n3c(cc4sccc43)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c32)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)Cn2sc3nc(C)cc(C)c3c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)N2CCOCC2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)Nc2cccc(Cl)c2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2c(-c3ccccc3Cl)noc2C)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(C)cc3)on2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cc(Nc3ccc(OC)c(OC)c3)nc3ccccc23)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cc3c(C)nc4ccccc4c3o2)C1,1,100.0,1.0
+CCOC(=O)C1CCCN(C(=O)c2cc3nc(-c4cccc(OC)c4)cc(C(F)(F)F)n3n2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccc(CNc3c(N4CCC(C)CC4)c(=O)c3=O)cc2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccccc3C)o2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)o2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccc(OC(C)=O)cc2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccc(OCC)cc2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccc3c(=O)n(CCOC)c(=S)[nH]c3c2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccc3c(c2)OCO3)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccccc2NC(C)=O)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccccc2SCCOC)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2ccco2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cccs2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)C1,1,100.0,
+CCOC(=O)C1CCCN(C(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cn(CC)c(=O)c3cc(OC)c(OC)cc23)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cncc(Br)c2)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccccc4)nc23)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)C1,0,0.0,
+CCOC(=O)C1CCCN(C(=O)c2sc3nc(C)nc(N4CCOCC4)c3c2C)C1,0,0.0,
+CCOC(=O)C1CCCN(C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1,0,0.0,
+CCOC(=O)C1CCCN(C/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)C1,0,0.0,
+CCOC(=O)C1CCCN(C2CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1,1,100.0,0.0
+CCOC(=O)C1CCCN(C2CC(=O)N(c3cccc(C)c3)C2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1,0,0.0,
+CCOC(=O)C1CCCN(CC(=O)NC2=Nc3ccccc3N=C(C)C2c2ccccc2)C1,0,0.0,
+CCOC(=O)C1CCCN(CC(=O)NC2CC2)C1,0,0.0,
+CCOC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccc(Br)cc23)C1,0,0.0,
+CCOC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccc(C)cc23)C1,0,0.0,
+CCOC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccc(Cl)cc23)C1,0,0.0,
+CCOC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccccc23)C1,1,100.0,1.0
+CCOC(=O)C1CCCN(CC(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1,0,0.0,
+CCOC(=O)C1CCCN(CC(O)COc2ccc(OC)cc2C(C)(C)C)C1,1,100.0,
+CCOC(=O)C1CCCN(CCC(=O)Nc2c(C(=O)OC)[nH]c3cc(OC)ccc23)C1,0,0.0,
+CCOC(=O)C1CCCN(CCC(=O)Nc2ccc(F)c(F)c2)C1,0,0.0,
+CCOC(=O)C1CCCN(CCC(=O)Nc2ccc3c(c2)CCC3)C1,1,100.0,
+CCOC(=O)C1CCCN(CCC(=O)Nc2cccc(F)c2)C1,0,0.0,
+CCOC(=O)C1CCCN(CCC(C)c2ccccc2)C1,0,0.0,
+CCOC(=O)C1CCCN(CCCc2ccccc2)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2cc(Br)c(OC)cc2OC)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2ccc(O)c(OC)c2)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2ccc(OC)cc2OC)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2ccc3c(c2)OCO3)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2cccc(Cl)c2)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2ccccc2C)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2ccccc2F)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2ccccc2OCC)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2nc(N)nc(Nc3ccc(C)cc3)n2)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2nc(N)nc(Nc3ccc(OC)cc3)n2)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2nc(N)nc(Nc3ccccc3)n2)C1,0,0.0,
+CCOC(=O)C1CCCN(Cc2nc(N)nc(Nc3ccccc3OC)n2)C1,0,0.0,
+CCOC(=O)C1CCCN(S(=O)(=O)Cc2ccccc2)C1,0,0.0,
+CCOC(=O)C1CCCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)C1,0,0.0,
+CCOC(=O)C1CCCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)C1,0,0.0,
+CCOC(=O)C1CCCN(S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)C1,0,0.0,
+CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)c(OC)c2)C1,0,0.0,
+CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1,0,0.0,
+CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1,0,0.0,
+CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c3ccccc23)C1,0,0.0,
+CCOC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+CCOC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1,0,0.0,
+CCOC(=O)C1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(N3CCC(N4CCCCC4)CC3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(N3CCN(C4CCCCC4)CC3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(N3CCN(c4ccccn4)CC3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(N3CCc4ccccc4C3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(NCC3CCCN3CC)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(NCC3CCCO3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(NCCCN(C)Cc3ccccc3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(NCCCN(C)c3ccccc3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(NCCCN(CC)c3cccc(C)c3)c(=O)c2=O)C1,1,100.0,0.0
+CCOC(=O)C1CCCN(c2c(NCCCN(CC)c3ccccc3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(NCCCN3CCCC(C)C3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(NCCN(C)Cc3ccccc3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(NCCc3ccc(S(N)(=O)=O)cc3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(NCc3ccco3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(Nc3ccc(C)c(C)c3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2c(Nc3cccc(C)c3)c(=O)c2=O)C1,0,0.0,
+CCOC(=O)C1CCCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)C1,0,0.0,
+CCOC(=O)C1CCCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C1,0,0.0,
+CCOC(=O)C1CCCN(c2cc(C)nc3cc(-c4ccc(F)cc4)nn23)C1,1,100.0,
+CCOC(=O)C1CCCN(c2ccc(NC(=O)c3snc4c(=O)[nH]cnc34)cc2)C1,0,0.0,
+CCOC(=O)C1CCCN(c2nc(C)nc3c2oc2ccccc23)C1,0,0.0,
+CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C1,0,0.0,
+CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)C)C1,0,0.0,
+CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)COC)C1,0,0.0,
+CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OCC)C1,0,0.0,
+CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OCCOC)C1,0,0.0,
+CCOC(=O)C1CCCN(c2ncnc3c2[nH]c2cccc(OC)c23)C1,0,0.0,
+CCOC(=O)C1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1,0,0.0,
+CCOC(=O)C1CCCN(c2ncnc3c2cnn3-c2ccc(OC)cc2)C1,0,0.0,
+CCOC(=O)C1CCCN(c2ncnc3c2cnn3-c2cccc(C)c2)C1,1,100.0,
+CCOC(=O)C1CCCN(c2ncnc3c2oc2ccccc23)C1,1,100.0,
+CCOC(=O)C1CCCN(c2nnnn2-c2ccccc2)C1,0,0.0,
+CCOC(=O)C1CCCc2c1[nH]c1c(C(=O)O)cccc21,0,0.0,
+CCOC(=O)C1CCCn2c1nc1sc3c(c1c2=O)CCCC3,0,0.0,
+CCOC(=O)C1CCN(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCCCC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3)C2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)C2CCCCC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)C2CCN(c3nc4ccc(OC)cc4s3)CC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)C2c3ccccc3C(=O)N(C)C2c2ccc(OC)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CC(C)c2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CC(NS(=O)(=O)c2ccc(OC)cc2)C(C)C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CC2C(=O)N(Cc3ccccc3)C(C)c3nc4ccccc4n32)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CCCOc2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CCc2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CCn2c(=O)[nH]c3ccccc3c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CCn2c(=O)[nH]c3ccsc3c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)nn(C)c2C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)noc2C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CN2C(=O)C(CC)Oc3ccccc32)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)COC(=O)CCOc2ccc(C)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)COC(=O)COc2ccccc2OC)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(Br)o2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)COc2cc(C)c(Br)c(C)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)COc2cc(C)c(Br)cc2C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)COc2cccc(C)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)C[S+]([O-])Cc2nc(-c3ccc(C)cc3)oc2C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CSC2=NCCS2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CSCCSCC(=O)N2CCC(C(=O)OCC)CC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CSCc2nc(-c3ccc(OCC)cc3)oc2C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CSc2cc(=O)n(C)c3ccccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CSc2cc(=O)n(CC)c3ccccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CSc2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CSc2n[nH]c(=O)[nH]c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Cc2c(C(=O)O)n(C)c3ccccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Cc2c(C(=O)O)n(CC)c3ccccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Cc2cccs2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Cn2cc(C#N)c3ccccc32)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Cn2cc3c(n2)CCC(C)C3)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)N(C)C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)N2CCOCC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1,1,100.0,
+CCOC(=O)C1CCN(C(=O)Nc2ccc3nc(C)c(C)nc3c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Nc2ccc3oc(C)nc3c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Nc2ccc3snnc3c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)Nc2ccccc2Cl)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2c(-c3c(F)cccc3Cl)noc2C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2cc3c(-c4ccc(OC)c(OC)c4)nn(C)c3s2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2cc3cc4cc(OC)ccc4nc3o2)CC1,1,100.0,1.0
+CCOC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(NC3=NC4CS(=O)(=O)CC4S3)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccc(OC)cc2OC)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccc(OCC)c(OCC)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccc(SC)cc2OC)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccc3snnc3c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2cccc(C(=O)N3CCC(C(=O)OCC)CC3)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccccc2N(C)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccccc2NC(C)=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2cccnc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2cnn3c(C)cc(C)nc23)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3c2C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CCCCCC4)cc3c2C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(C(=O)NC2CCCCC2)c2ccc(OC)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(C)=C2C(=O)c3ccccc3C2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(C)C(=O)c2c(C)[nH]c3cc(C)ccc23)CC1,1,100.0,1.0
+CCOC(=O)C1CCN(C(c2cc(OC)c(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(c2cc3c(C)ccc(C)c3[nH]c2=O)c2nnnn2C2CCCCC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(c2cc3cc(C)cc(C)c3[nH]c2=O)c2nnnn2C2CCCCC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(c2cc3ccc(C)c(C)c3[nH]c2=O)c2nnnn2C2CCCCC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1,0,0.0,
+CCOC(=O)C1CCN(C(c2ccc(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(c2cccc(F)c2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(c2cccc(OC)c2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+CCOC(=O)C1CCN(C(c2cccnc2)c2c(NC(=O)c3ccco3)sc(C)c2C)CC1,0,0.0,
+CCOC(=O)C1CCN(C(c2cccs2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+CCOC(=O)C1CCN(C/C=C/c2ccccc2OC)CC1,0,0.0,
+CCOC(=O)C1CCN(C2CC(=O)N(c3ccc(OCC)cc3)C2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(C=Nc2cc(C)on2)CC1,0,0.0,
+CCOC(=O)C1CCN(CC(=O)N2C(C)CCCC2C)CC1,0,0.0,
+CCOC(=O)C1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccc(Cl)cc23)CC1,0,0.0,
+CCOC(=O)C1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(C)c23)CC1,0,0.0,
+CCOC(=O)C1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(Cl)c23)CC1,0,0.0,
+CCOC(=O)C1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(CC(=O)Nc2c(C(=O)OC)n(C)c3cccc(C)c23)CC1,0,0.0,
+CCOC(=O)C1CCN(CC(=O)c2c(C)[nH]c3cc(C)ccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(CC(=O)c2c(C)[nH]c3ccccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(CC(O)COc2ccc(C(=O)CC)cc2)CC1,1,100.0,0.0
+CCOC(=O)C1CCN(CC(O)COc2ccc(C(C)(C)C)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(CC(O)COc2ccc(C(C)(C)CC)cc2)CC1,1,100.0,0.0
+CCOC(=O)C1CCN(CC(O)COc2ccc(C(C)=O)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(CCC(=O)Nc2cccc(Cl)c2C)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2c(O)ccc3ccccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2ccc(C(=O)OC)cc2)CC1,1,100.0,
+CCOC(=O)C1CCN(Cc2ccc(F)c(Br)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2ccc(F)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2ccc(O)c(OC)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2ccc(O)c3ncccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2ccc(OC)c(C)c2OC)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2ccccc2C(F)(F)F)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2cn[nH]c2-c2ccc(C)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2cn[nH]c2-c2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2cnc(NC(=O)OC)s2)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2coc3ccc(Cl)cc3c2=O)CC1,1,100.0,1.0
+CCOC(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2nc3ccc(Cl)cc3n2CCO)CC1,0,0.0,
+CCOC(=O)C1CCN(Cc2nc3ccccc3c(=O)n2-c2ccc(OCC)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)C(F)(F)c2nc3ccccc3s2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)C1=O,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)C(C)C3)CC1,1,100.0,0.0
+CCOC(=O)C1CCN(S(=O)(=O)c2cc(Cl)c(C)cc2OC)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Br)c(OCC)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)OC)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4cccc(C)c4n3)c2)CC1,1,100.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4ccccc4n3)c2)CC1,1,100.0,0.0
+CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3csc(C)n3)c2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,0,0.0,
+CCOC(=O)C1CCN(S(=O)(=O)c2nc3nc(C)cc(C)n3n2)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(N(C)Cc3ccco3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(N3CCCC(C(=O)OCC)C3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(N3CCCCCC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(N3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(N3CCN(c4ccccc4OC)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(NC3CCCCCCC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(NC3CCCc4ccccc43)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(NCCCN(C)C3CCCCC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(NCCCN(CC)Cc3ccccc3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(NCCCN(CC)c3ccccc3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(NCCCN3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(NCCN3CCCCC3C)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(NCCN3CCN(c4ccccc4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)NC(C)CC)cc3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)NCCC(C)C)cc3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)NCCOC)cc3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2c(Nc3ccc4c(c3)OCCO4)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)C1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1,0,0.0,
+CCOC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,0,0.0,
+CCOC(=O)C1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1,0,0.0,
+CCOC(=O)C1CCN(c2cc(C)nc3cc(-c4cccc(F)c4)nn23)CC1,0,0.0,
+CCOC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(c2nc(C)nc3c2oc2ccccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(c2nc3cc(OC)ccc3cc2C#N)CC1,0,0.0,
+CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)C)CC1,0,0.0,
+CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)COC)CC1,0,0.0,
+CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OCCOC)CC1,0,0.0,
+CCOC(=O)C1CCN(c2ncnc3c2[nH]c2cccc(OC)c23)CC1,0,0.0,
+CCOC(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(OC)cc2)CC1,0,0.0,
+CCOC(=O)C1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,0,0.0,
+CCOC(=O)C1CCN(c2ncnc3c2oc2ccc(Br)cc23)CC1,0,0.0,
+CCOC(=O)C1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1,0,0.0,
+CCOC(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1,0,0.0,
+CCOC(=O)C1CCN(c2ncnc3nc[nH]c23)CC1,0,0.0,
+CCOC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1,0,0.0,
+CCOC(=O)C1CCc2nc3ccccc3c(=O)n21,0,0.0,
+CCOC(=O)C1CCc2sc(N)c(C#N)c21,0,0.0,
+CCOC(=O)C1CN(C)CCC1=O,0,0.0,
+CCOC(=O)C1CN(S(=O)(=O)c2ccc(C)cc2)CCN1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CCOC(=O)C1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)OC1C(=O)OCC,0,0.0,
+CCOC(=O)C1CSC(CC(=O)Nc2ccc(Cl)cc2)C(=O)N1,0,0.0,
+CCOC(=O)C1CSc2[nH]c(=O)sc2C1c1ccccc1,0,0.0,
+CCOC(=O)C1Cc2c([nH]c3ccccc23)C(C)N1,0,0.0,
+CCOC(=O)C1Cc2c([nH]c3ccccc23)CN1,0,0.0,
+CCOC(=O)C1Cc2cc3c(cc2C1=O)CC(C(=O)OCC)C3=O,0,0.0,
+CCOC(=O)C1Cc2ccccc2C(=O)O1,0,0.0,
+CCOC(=O)C1Cc2ccccc2CN1,0,0.0,
+CCOC(=O)C1Cn2c(nc3c(c2=O)C(C)(C)Cc2ccccc2-3)S1,0,0.0,
+CCOC(=O)C1Cn2c(nc3c(c2=O)C(C)(CC)Cc2ccccc2-3)S1,0,0.0,
+CCOC(=O)C1Cn2c(nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)S1,0,0.0,
+CCOC(=O)C1SC2(C(F)(F)C(F)F)CC1(O)c1c(c(OC)c3occc3c1OC)O2,1,100.0,0.0
+CCOC(=O)C1SC2(C(F)(F)F)CC1(O)c1c(C)cc(C)nc1O2,0,0.0,
+CCOC(=O)C1SC2(C(F)F)CC1(O)c1c(c(OC)c3occc3c1OC)O2,0,0.0,
+CCOC(=O)C1[C@H]2C(=O)N(C(C)c3ccc(OC)cc3)C[C@]23C=C[C@H]1O3,0,0.0,
+CCOC(=O)C1[C@H]2C(=O)N(CCCOC)C[C@]23C=C[C@H]1O3,0,0.0,
+CCOC(=O)CC(/C(C)=N\O)c1ccccc1,0,0.0,
+CCOC(=O)CC(=O)CSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1,0,0.0,
+CCOC(=O)CC(=O)CSCC(=O)Nc1ccc(C)cc1,0,0.0,
+CCOC(=O)CC(=O)CSc1[nH]c(=O)cc(C)c1C#N,0,0.0,
+CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccc(C)cc3)n2n1,0,0.0,
+CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1,0,0.0,
+CCOC(=O)CC(=O)CSc1ccc2nnc(-c3cccc(F)c3)n2n1,0,0.0,
+CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1,0,0.0,
+CCOC(=O)CC(=O)CSc1nc(-c2cccnc2)cc(C)c1C#N,0,0.0,
+CCOC(=O)CC(=O)CSc1nc(-c2cccnc2)ccc1C#N,0,0.0,
+CCOC(=O)CC(=O)CSc1nc(C)cc(-c2cccnc2)c1C#N,0,0.0,
+CCOC(=O)CC(=O)CSc1nc(C)nc2c1oc1ccccc12,0,0.0,
+CCOC(=O)CC(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N,0,0.0,
+CCOC(=O)CC(=O)CSc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1C#N,0,0.0,
+CCOC(=O)CC(=O)CSc1nc2c(c(C)c1C#N)CCC2,0,0.0,
+CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCC2,0,0.0,
+CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCCC2,0,0.0,
+CCOC(=O)CC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1,0,0.0,
+CCOC(=O)CC(=O)CSc1nc2ccc(C)cc2cc1C#N,0,0.0,
+CCOC(=O)CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCOCC2)cc1,0,0.0,
+CCOC(=O)CC(=O)CSc1nc2nc(C)cc(C)n2n1,0,0.0,
+CCOC(=O)CC(=O)CSc1nc2sc(C)cc2c(=O)n1Cc1ccco1,0,0.0,
+CCOC(=O)CC(=O)CSc1ncc(C(=O)OCC)c(N)n1,0,0.0,
+CCOC(=O)CC(=O)CSc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+CCOC(=O)CC(=O)CSc1ncnc2c1oc1ccccc12,0,0.0,
+CCOC(=O)CC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,0,0.0,
+CCOC(=O)CC(=O)CSc1nnc2c(n1)[nH]c1ccccc12,0,0.0,
+CCOC(=O)CC(=O)CSc1nnc2sc3ccccc3n12,0,0.0,
+CCOC(=O)CC(=O)N1CC2(C)CN(C(=O)CC(=O)OCC)CC(C)(C1)C2=O,0,0.0,
+CCOC(=O)CC(=O)Nc1c(C)cc(C)cc1C,0,0.0,
+CCOC(=O)CC(=O)Nc1cc(Cl)ccc1O,0,0.0,
+CCOC(=O)CC(=O)Nc1ccc(Br)cc1C(=O)O,0,0.0,
+CCOC(=O)CC(=O)Nc1ccc(C(=O)OCC)cc1,0,0.0,
+CCOC(=O)CC(=O)Nc1ccccc1C(=O)O,0,0.0,
+CCOC(=O)CC(=O)Nc1nnc(C(C)C)s1,0,0.0,
+CCOC(=O)CC(=O)Nc1nnc(CC(C)C)s1,0,0.0,
+CCOC(=O)CC(=O)Nc1nnc(CC)s1,0,0.0,
+CCOC(=O)CC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCOC(=O)CC(C#N)c1c[nH]c2ccccc12,0,0.0,
+CCOC(=O)CC(C#N)c1cn(C)c2ccccc12,0,0.0,
+CCOC(=O)CC(N)c1ccc(OC)cc1,0,0.0,
+CCOC(=O)CC(N)c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)CC(NC(=O)c1ccco1)c1ccccc1Cl,0,0.0,
+CCOC(=O)CC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(OCC)cc1,0,0.0,
+CCOC(=O)CC(Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1Cl,1,100.0,1.0
+CCOC(=O)CC1(C)NC(=O)c2c(C)sc(C(=O)OCC)c2N1,0,0.0,
+CCOC(=O)CC1(CC(=O)OCC)NC(=O)c2c(C)sc(C(=O)OCC)c2N1,0,0.0,
+CCOC(=O)CC12CN3CN(C1)CC(CC(=O)OCC)(C3)C2=O,0,0.0,
+CCOC(=O)CC1=C(C#N)C(c2cccnc2)C(C(=O)OCC)=C(N)O1,0,0.0,
+CCOC(=O)CC1=C(C(=O)OCC)C(c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O1,0,0.0,
+CCOC(=O)CC1=C(C(=O)OCC)C(c2ccc(C)o2)C(C#N)=C(N)O1,0,0.0,
+CCOC(=O)CC1=C(C(=O)OCC)C(c2ccc(OC)c(OC)c2)C(C#N)=C(N)O1,0,0.0,
+CCOC(=O)CC1=C(C(=O)OCC)C(c2ccc(OC)cc2OC)C(C#N)=C(N)O1,0,0.0,
+CCOC(=O)CC1=C(C(=O)OCC)C(c2ccncc2)C(C#N)=C(N)O1,0,0.0,
+CCOC(=O)CC1=C(C(=O)OCC)C2(C(=O)N1)C(C(=O)OC)=C(N)Oc1ccccc12,0,0.0,
+CCOC(=O)CC1=C(C(=O)OCC)C2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1,0,0.0,
+CCOC(=O)CC1=CC(=O)Nc2ccccc2N1,0,0.0,
+CCOC(=O)CC1=CC(C)(CC(=O)OCC)C(C#N)(C#N)C(N)=C1C#N,0,0.0,
+CCOC(=O)CC1=CSC2=NS(=O)(=O)CCN12,0,0.0,
+CCOC(=O)CC1=NC(=O)CS1,0,0.0,
+CCOC(=O)CC1=NS(=O)(=O)c2ccccc2N1,0,0.0,
+CCOC(=O)CC1=Nc2ccccc2NC(=O)C1,0,0.0,
+CCOC(=O)CC1C(=O)NC2CCCCC2N1C(=O)Nc1ccc(Cl)cc1,0,0.0,
+CCOC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(Br)cc1C,0,0.0,
+CCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1,1,100.0,0.0
+CCOC(=O)CC1C(=O)NCCN1C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1,0,0.0,
+CCOC(=O)CC1C(=O)NCCN1C(=O)c1cc2c(=O)n3ccccc3nc2s1,0,0.0,
+CCOC(=O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,0,0.0,
+CCOC(=O)CC1C(=O)NCCN1Cc1cccc(OC)c1,0,0.0,
+CCOC(=O)CC1Sc2ccccc2NC1=O,0,0.0,
+CCOC(=O)CCC(=O)N1CCNC(=O)C1,1,100.0,
+CCOC(=O)CCC(=O)N1CCOCCN(C(=O)CCC(=O)OCC)CCOCC1,0,0.0,
+CCOC(=O)CCC(=O)NCc1ccc2[nH]c(C)cc2c1,0,0.0,
+CCOC(=O)CCC(=O)NCc1ccc2c(c1)cc(C)n2C,0,0.0,
+CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+CCOC(=O)CCC(=O)Nc1ccccc1C(N)=O,0,0.0,
+CCOC(=O)CCC(=O)OCC(=O)NC(C)C1CC2CCC1C2,0,0.0,
+CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C,0,0.0,
+CCOC(=O)CCC(=O)c1c(C)oc2ccc(OC)cc12,0,0.0,
+CCOC(=O)CCC(NC(=O)c1ccc(NCN2C(=O)CCC2=O)cc1)C(=O)OCC,0,0.0,
+CCOC(=O)CCC(NC(=O)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1)C(=O)OCC,0,0.0,
+CCOC(=O)CCC(NC(=O)c1cncc(O)c1)C(=O)OCC,0,0.0,
+CCOC(=O)CCCCC(=O)NC(CO)C(=O)NC,0,0.0,
+CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CN1CCOCC1,0,0.0,
+CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1,0,0.0,
+CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(=O)[nH]1,0,0.0,
+CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(C)n1,0,0.0,
+CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1Cn1ccnc1,0,0.0,
+CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1Cn1cnc2ccccc21,0,0.0,
+CCOC(=O)CCCCNCc1ccccc1,0,0.0,
+CCOC(=O)CCCNC(=O)CCNC(=O)c1ccc(OC(C)C)cc1,0,0.0,
+CCOC(=O)CCCNC(=O)CCNC(=O)c1ccc(OC)cc1,0,0.0,
+CCOC(=O)CCCNC(=O)CCNC(=O)c1ccc(OCC)cc1,0,0.0,
+CCOC(=O)CCCNC(=O)CN1C(=O)NC(CCc2ccccc2)C1=O,0,0.0,
+CCOC(=O)CCCNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O,0,0.0,
+CCOC(=O)CCCNC(=O)COC(=O)CCC(=O)c1ccc(F)cc1,0,0.0,
+CCOC(=O)CCCNC(=O)COC(=O)c1cccc(C)c1O,0,0.0,
+CCOC(=O)CCCNC(=O)COc1ccccc1C#N,0,0.0,
+CCOC(=O)CCCNC(=O)c1cncc(Br)c1,0,0.0,
+CCOC(=O)CCCOC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+CCOC(=O)CCCSc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0.0,
+CCOC(=O)CCCc1sc(N)nc1-c1[nH]c(=O)[nH]c1C,0,0.0,
+CCOC(=O)CCCn1c(C)nc(=O)c(-c2ccccc2)c1C,0,0.0,
+CCOC(=O)CCCn1nc(C)n2c(cc3sccc32)c1=O,0,0.0,
+CCOC(=O)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CCOC(=O)CCN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CCOC(=O)CCN=Cc1c(O)n(-c2ccc(Br)cc2)c(=O)[nH]c1=O,0,0.0,
+CCOC(=O)CCNC(=O)CNC(=O)OCc1ccccc1,0,0.0,
+CCOC(=O)CCNC(=O)Nc1ccc2nc(C)n(Cc3ccc(Cl)cc3)c(=O)c2c1,0,0.0,
+CCOC(=O)CCNC(=O)Nc1ccc2nc(C)n(Cc3cccc(Cl)c3)c(=O)c2c1,0,0.0,
+CCOC(=O)CCNC(=O)Nc1ccc2nc(C)n(Cc3ccccc3Cl)c(=O)c2c1,0,0.0,
+CCOC(=O)CCNC(=O)c1ccccc1Br,0,0.0,
+CCOC(=O)CCNC(C)C1COc2ccccc2O1,0,0.0,
+CCOC(=O)CCNCC1COc2ccccc2O1,0,0.0,
+CCOC(=O)CCNc1n[nH]c(=O)[nH]c1=O,0,0.0,
+CCOC(=O)CCP(=O)(O)C(O)c1ccc(OC)cc1,0,0.0,
+CCOC(=O)CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1,0,0.0,
+CCOC(=O)CCSCC(=O)Nc1cc(C)on1,0,0.0,
+CCOC(=O)CCSCC(=O)Nc1nnc(C)s1,1,100.0,0.0
+CCOC(=O)CCSc1nc(C)c2ccccc2n1,0,0.0,
+CCOC(=O)CCSc1nc(C)cc(C(F)(F)F)c1C#N,0,0.0,
+CCOC(=O)CCSc1nc2c(c(C(F)(F)F)c1C#N)CCC2,0,0.0,
+CCOC(=O)CCSc1nnc(-c2cccnc2)n1-c1ccccc1OC,0,0.0,
+CCOC(=O)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O,0,0.0,
+CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1,0,0.0,
+CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1C,0,0.0,
+CCOC(=O)CCc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O,0,0.0,
+CCOC(=O)CCc1c(C)c2ccc(O)cc2oc1=O,0,0.0,
+CCOC(=O)CCc1c(C)c2ccc(OC(C)C(=O)OCC)c(C)c2oc1=O,0,0.0,
+CCOC(=O)CCc1c(C)c2ccc(OCC(=O)N(CC)CC)c(C)c2oc1=O,0,0.0,
+CCOC(=O)CCc1c(C)c2ccc(OCC(=O)OC(C)C)cc2oc1=O,1,100.0,0.0
+CCOC(=O)CCc1c(C)c2ccc(OCc3nn[nH]n3)c(C)c2oc1=O,0,0.0,
+CCOC(=O)CCc1c(C)n(CC)c2cc(-c3ccccc3OC)nn2c1=O,0,0.0,
+CCOC(=O)CCc1c(C)n(CC)c2ncnn2c1=O,0,0.0,
+CCOC(=O)CCc1c(C)nc(SCC(=O)O)c(C#N)c1C,0,0.0,
+CCOC(=O)CCc1c(C)nc(SCCCn2c(=O)[nH]c3ccccc32)c(C#N)c1C,0,0.0,
+CCOC(=O)CCc1c(C)nc(SCCN2CCCC2)c(C#N)c1C,0,0.0,
+CCOC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C,1,100.0,
+CCOC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O,0,0.0,
+CCOC(=O)CCc1c(C)nc2cc(-c3ccc(F)cc3)[nH]n2c1=O,0,0.0,
+CCOC(=O)CCc1c(C)nc2cc(-c3ccccc3OC)[nH]n2c1=O,1,100.0,
+CCOC(=O)CCc1c(C)nc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)[nH]n2c1=O,0,0.0,
+CCOC(=O)CCc1c(C)nc2ncnn2c1C,0,0.0,
+CCOC(=O)CCc1cccc2c1CCC2=O,0,0.0,
+CCOC(=O)CCc1n[nH]c(=O)[nH]c1=O,0,0.0,
+CCOC(=O)CCc1nc2ccccc2[nH]1,0,0.0,
+CCOC(=O)CCc1nc2ccccc2[nH]c1=O,0,0.0,
+CCOC(=O)CCc1nn(C)c(=O)c2ccccc12,0,0.0,
+CCOC(=O)CCn1c(CC(=O)OCC)nc2ccccc21,0,0.0,
+CCOC(=O)CCn1c2nc(C)cc(C)c2c(=O)n1-c1ccccc1,0,0.0,
+CCOC(=O)CCn1cc(F)c(=O)n(Cc2ccccc2)c1=O,0,0.0,
+CCOC(=O)CCn1nc(-c2ccc(Cl)cc2)cc1N,0,0.0,
+CCOC(=O)CCn1nc(-c2ccccc2)cc1N,0,0.0,
+CCOC(=O)CCn1nnc(N)n1,0,0.0,
+CCOC(=O)CN(C(=O)CN1CCOCC1)c1ccc(Br)cc1,0,0.0,
+CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1OCC,0,0.0,
+CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1cccc(OC)c1,0,0.0,
+CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1)c1ccc(F)cc1,0,0.0,
+CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1)c1ccccc1,0,0.0,
+CCOC(=O)CN(C(=O)CSc1nnc(-c2cccc(OC)c2)o1)c1ccc(F)cc1,0,0.0,
+CCOC(=O)CN(C(=O)CSc1nnc(-c2ccncc2)n1CCCN(C)C)c1ccccc1,1,100.0,0.0
+CCOC(=O)CN(C(=O)CSc1nnc(C)n1-c1ccccc1)c1ccccc1,0,0.0,
+CCOC(=O)CN(C(=O)CSc1nnc(CNc2ccc(C)cc2C)n1CC)c1ccccc1,0,0.0,
+CCOC(=O)CN(C(=O)CSc1nnc(CNc2ccc(C)cc2C)o1)c1ccccc1,0,0.0,
+CCOC(=O)CN(C(=O)CSc1nnc(CNc2ccc(F)cc2)o1)c1ccccc1,0,0.0,
+CCOC(=O)CN(C(=O)CSc1nnc(COc2ccc(OC)cc2)n1C)c1ccccc1,0,0.0,
+CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1ccc(OC)cc12)c1ccc(F)cc1,0,0.0,
+CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1,0,0.0,
+CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(CC)C(=O)NC1CCCC1,0,0.0,
+CCOC(=O)CN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccccc1,0,0.0,
+CCOC(=O)CN(C(=O)c1ccccc1)c1ccccc1C,0,0.0,
+CCOC(=O)CN(C)Cc1c[nH]c2ccccc12,0,0.0,
+CCOC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+CCOC(=O)CN/C(C)=C(/C#N)C(N)=O,0,0.0,
+CCOC(=O)CN1C(=O)C(=O)c2cccc(C)c21,0,0.0,
+CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)(C)CC)cc21,0,0.0,
+CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)Nc3ccccc3)cc21,0,0.0,
+CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)Nc3ccccc3OC)cc21,0,0.0,
+CCOC(=O)CN1C(=O)C(CC)Oc2ccc(Cl)cc21,1,100.0,0.0
+CCOC(=O)CN1C(=O)C(CC)Oc2ccccc21,0,0.0,
+CCOC(=O)CN1C(=O)C(O)(C2CCc3ccccc3C2=O)c2ccccc21,0,0.0,
+CCOC(=O)CN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21,0,0.0,
+CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21,0,0.0,
+CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccco2)c2ccccc21,0,0.0,
+CCOC(=O)CN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21,0,0.0,
+CCOC(=O)CN1C(=O)C(O)=C(C(C)=O)C1c1ccc(F)cc1,0,0.0,
+CCOC(=O)CN1C(=O)C(O)=C(C(C)=O)C1c1ccccc1,0,0.0,
+CCOC(=O)CN1C(=O)C2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1C,0,0.0,
+CCOC(=O)CN1C(=O)C2(OCCCO2)c2ccccc21,0,0.0,
+CCOC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21,0,0.0,
+CCOC(=O)CN1C(=O)COc2ccc(Cl)cc21,0,0.0,
+CCOC(=O)CN1C(=O)CSc2ccccc21,0,0.0,
+CCOC(=O)CN1C(=O)NC(C)(c2ccc(OC(F)F)cc2)C1=O,0,0.0,
+CCOC(=O)CN1C(=O)NC2NC(=O)NC21,0,0.0,
+CCOC(=O)CN1C(=O)SC(CC(=O)Nc2nccs2)C1=O,0,0.0,
+CCOC(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+CCOC(=O)CN1C2=NCCN2c2ccccc21,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)N2CCN(c4ccc(F)cc4)CC2)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NC2CCCC2)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NC2CCCCC2)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NC2CCCCCC2)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NCCc2ccccc2)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NCc2ccc(C)cc2)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NCc2ccc(F)cc2)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NCc2ccccc2OC)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NCc2cccs2)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2cc(OC)ccc2OC)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2ccc(C(C)=O)cc2)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2ccc(F)c(C)c2)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2ccc(F)cc2)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2ccc(OC)cc2OC)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2ccc(OCC)cc2)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2ccc4c(c2)OCO4)C3C1=O,0,0.0,
+CCOC(=O)CN1CC23C=CC(O2)C(C(=O)O)C3C1=O,0,0.0,
+CCOC(=O)CN1Cc2cccc(C(=O)O)c2C1=O,0,0.0,
+CCOC(=O)CN1c2ccccc2NC(=O)CC1C,0,0.0,
+CCOC(=O)CN=C1CC(C)(C)CC2=C1Sc1ncnc(N(C)C)c1N2,0,0.0,
+CCOC(=O)CNC(=O)C(CO)NC(=O)OCc1ccccc1,0,0.0,
+CCOC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,0,0.0,
+CCOC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1,0,0.0,
+CCOC(=O)CNC(=O)C(NC(=O)C1CCC(C)CC1)C(C)CC,0,0.0,
+CCOC(=O)CNC(=O)C1(c2ccccc2)CCCC1,0,0.0,
+CCOC(=O)CNC(=O)C1CCCN(c2ncccn2)C1,0,0.0,
+CCOC(=O)CNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1ccccc1F,0,0.0,
+CCOC(=O)CNC(=O)CCCCCC(=O)NCC(=O)OCC,0,0.0,
+CCOC(=O)CNC(=O)CN1C(=O)CCS(=O)(=O)c2ccccc21,0,0.0,
+CCOC(=O)CNC(=O)CN1C(=O)CCSc2ccccc21,0,0.0,
+CCOC(=O)CNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+CCOC(=O)CNC(=O)CNC(=O)c1ccc(OC)cc1,0,0.0,
+CCOC(=O)CNC(=O)CNC(=O)c1ccc(OCC(C)C)cc1,0,0.0,
+CCOC(=O)CNC(=O)COc1ccc(Cl)cc1Br,0,0.0,
+CCOC(=O)CNC(=O)CSP(=S)(OCC)OCC,0,0.0,
+CCOC(=O)CNC(=O)CSc1nc(C)cc(C)c1C#N,0,0.0,
+CCOC(=O)CNC(=O)CSc1nc(N(C)C)nc(N2CCOCC2)n1,0,0.0,
+CCOC(=O)CNC(=O)CSc1nc(N)cc(N)n1,0,0.0,
+CCOC(=O)CNC(=O)CSc1nc(NCc2ccccc2)nc(N(C)C)n1,1,100.0,0.0
+CCOC(=O)CNC(=O)CSc1nc2cccnc2n1C,0,0.0,
+CCOC(=O)CNC(=O)CSc1nc2cccnc2n1C1CCCCC1,0,0.0,
+CCOC(=O)CNC(=O)CSc1nc2cccnc2n1Cc1ccccc1,0,0.0,
+CCOC(=O)CNC(=O)CSc1nc2nc(C)c(Br)cc2[nH]1,0,0.0,
+CCOC(=O)CNC(=O)CSc1nc2ncc(Br)cc2[nH]1,0,0.0,
+CCOC(=O)CNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C,0,0.0,
+CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1,0,0.0,
+CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1,0,0.0,
+CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2-c1ccc(OC)cc1,0,0.0,
+CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2Cc1ccccc1,0,0.0,
+CCOC(=O)CNC(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(OC)cc1,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnc(-c2cccc(OC)c2)n1CC,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2OC)n1CC,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnc(-c2ccco2)n1N,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1CC,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnc(SCC(=O)NCC(=O)OCC)s1,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnnn1-c1cc(C)ccc1C,0,0.0,
+CCOC(=O)CNC(=O)CSc1nnnn1-c1ccc(C)c(C)c1,0,0.0,
+CCOC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O,0,0.0,
+CCOC(=O)CNC(=O)Cn1cnc2c(nnn2-c2ccc(C)cc2)c1=O,0,0.0,
+CCOC(=O)CNC(=O)Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O,0,0.0,
+CCOC(=O)CNC(=O)Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O,0,0.0,
+CCOC(=O)CNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O,0,0.0,
+CCOC(=O)CNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O,0,0.0,
+CCOC(=O)CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,0,0.0,
+CCOC(=O)CNC(=O)Nc1cccc(Cl)c1C,0,0.0,
+CCOC(=O)CNC(=O)Nc1ccccc1C(=O)OC,0,0.0,
+CCOC(=O)CNC(=O)Nc1nnc(-c2ccc(OCC)cc2)o1,0,0.0,
+CCOC(=O)CNC(=O)c1c(C)nn(-c2ccccc2)c1Cl,0,0.0,
+CCOC(=O)CNC(=O)c1c2c(nc3ccccc13)CCCC2,0,0.0,
+CCOC(=O)CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)oc1C,0,0.0,
+CCOC(=O)CNC(=O)c1cc(C)oc1C,0,0.0,
+CCOC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3,0,0.0,
+CCOC(=O)CNC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CCOC(=O)CNC(=O)c1ccccc1Br,0,0.0,
+CCOC(=O)CNC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,0,0.0,
+CCOC(=O)CNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12,0,0.0,
+CCOC(=O)CNC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12,0,0.0,
+CCOC(=O)CNC(=O)c1cnn2cccnc12,0,0.0,
+CCOC(=O)CNC(=O)c1nn(-c2ccc(OCC)cc2)c(=O)c2ccccc12,0,0.0,
+CCOC(=O)CNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc12,0,0.0,
+CCOC(=O)CNC(=O)c1sc(NC(=O)c2ccccc2F)nc1C,0,0.0,
+CCOC(=O)CNC(=O)c1sc2nc(C)cc(C)c2c1N,0,0.0,
+CCOC(=O)CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O,0,0.0,
+CCOC(=O)CNS(=O)(=O)c1c(C)noc1C,0,0.0,
+CCOC(=O)CNS(=O)(=O)c1cc(-c2n[nH]c(=O)c3ccccc23)ccc1C,0,0.0,
+CCOC(=O)CNS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C,0,0.0,
+CCOC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1,0,0.0,
+CCOC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+CCOC(=O)CNc1c(-c2ccc(Cl)cc2)nc2cnccn12,0,0.0,
+CCOC(=O)CNc1c(-c2ccc(F)cc2)nc2cnccn12,0,0.0,
+CCOC(=O)CNc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12,0,0.0,
+CCOC(=O)CNc1c(-c2ccc(O)cc2)nc2ccccn12,0,0.0,
+CCOC(=O)CNc1c(N2CCN(c3ccccn3)CC2)c(=O)c1=O,1,100.0,
+CCOC(=O)CNc1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)CNc1nc(-c2ccncc2)nc2ccccc12,0,0.0,
+CCOC(=O)CNc1nc(C#N)nc(N2CCOCC2)n1,0,0.0,
+CCOC(=O)CNc1nc(C(C)(C)C)nc2c1nnn2Cc1ccccc1Cl,0,0.0,
+CCOC(=O)CNc1nc(OCC#N)nc(N2CCOCC2)n1,0,0.0,
+CCOC(=O)CNc1ncnc2nc[nH]c12,0,0.0,
+CCOC(=O)CNc1nnc(SCC(=O)OCC)[nH]c1=O,0,0.0,
+CCOC(=O)COC(=O)c1ccc(O)cc1,0,0.0,
+CCOC(=O)CON1C(=O)C(C)(C)N(OCC(=O)OCC)C(=O)C1(C)C,0,0.0,
+CCOC(=O)COc1c(OC)cc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O,0,0.0,
+CCOC(=O)COc1cc(=O)n(CC)c2ccccc12,0,0.0,
+CCOC(=O)COc1cc2c(C(=O)OCC)c(C)oc2cc1Br,0,0.0,
+CCOC(=O)COc1cc2c3c(c(=O)oc2cc1C)CCCC3,1,100.0,1.0
+CCOC(=O)COc1ccc(-c2nnc(-c3ccccc3)o2)cc1,0,0.0,
+CCOC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1,0,0.0,
+CCOC(=O)COc1ccc(C(=O)c2ccccc2)c(O)c1,0,0.0,
+CCOC(=O)COc1ccc(C2NC(C(=O)O)CS2)cc1,0,0.0,
+CCOC(=O)COc1ccc(CCNC(C)=O)cc1,0,0.0,
+CCOC(=O)COc1ccc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O,0,0.0,
+CCOC(=O)COc1ccc(N)cc1CC(NC(C)=O)(C(=O)OCC)C(=O)OCC,0,0.0,
+CCOC(=O)COc1ccc(Oc2nc(C)cc(OC)n2)nn1,0,0.0,
+CCOC(=O)COc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1,0,0.0,
+CCOC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1,0,0.0,
+CCOC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1,0,0.0,
+CCOC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1,0,0.0,
+CCOC(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1,0,0.0,
+CCOC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0.0,
+CCOC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1,0,0.0,
+CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+CCOC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2,0,0.0,
+CCOC(=O)COc1ccc2c(c1)C(=O)CC(C)(c1cccnc1)O2,0,0.0,
+CCOC(=O)COc1ccc2c(c1)C(=O)CC1(CCN(C(C)=O)CC1)O2,0,0.0,
+CCOC(=O)COc1ccc2c(c1)c(C(=O)OCC)c(C)n2CC,0,0.0,
+CCOC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3,0,0.0,
+CCOC(=O)COc1ccc2cc(C(=O)OCC)c(=O)oc2c1,0,0.0,
+CCOC(=O)COc1ccc2nsnc2c1,0,0.0,
+CCOC(=O)COc1ccc2nsnc2c1Cl,0,0.0,
+CCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCN(C(=O)OCC)CC3)ccc12,0,0.0,
+CCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCc4ccccc43)ccc12,0,0.0,
+CCOC(=O)COc1cccc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)ccc12,0,0.0,
+CCOC(=O)COc1nc(C)c(Br)c(OC)n1,0,0.0,
+CCOC(=O)COc1nc(N(C)C)nc(N(C)C)n1,0,0.0,
+CCOC(=O)COc1nc(Nc2ccccc2C)nc(N(C)C)n1,0,0.0,
+CCOC(=O)COn1c(=O)c(-c2ccc(OC)c(OC)c2)[n+]([O-])c2ccccc21,0,0.0,
+CCOC(=O)COn1c(=O)c(-c2ccco2)[n+]([O-])c2ccccc21,0,0.0,
+CCOC(=O)COn1c(=O)c(-c2cccs2)[n+]([O-])c2ccccc21,0,0.0,
+CCOC(=O)COn1c(=O)c(=O)n(O)c2ccccc21,0,0.0,
+CCOC(=O)COn1c(=O)c(=O)n(OC)c2ccccc21,0,0.0,
+CCOC(=O)COn1c(=O)c[n+]([O-])c2ccccc21,0,0.0,
+CCOC(=O)COn1c(SCC(=O)OCC)nc2ccccc2c1=O,0,0.0,
+CCOC(=O)COn1c2c(c3c4no[n+]([O-])c4ccc31)CCCC2,0,0.0,
+CCOC(=O)CS(=O)(=O)c1ccc2ccccc2c1,0,0.0,
+CCOC(=O)CS(=O)(=O)c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1,0,0.0,
+CCOC(=O)CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1,0,0.0,
+CCOC(=O)CSC(C)C(=O)Nc1nnc(C(C)C)s1,0,0.0,
+CCOC(=O)CSC(CC)C(=O)Nc1nnc(C(C)C)s1,0,0.0,
+CCOC(=O)CSC(CC)C(=O)Nc1nnc(CC)s1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(=O)NC(c2ccc(OC)c(OC)c2)S1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(=O)NC2(CCCCC2)S1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(C)C2=C(CCCC2=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccc(C)cc2)C(C(=O)OC)C(=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccc(C)cc2)C2=C(CCCC2=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccc(C)o2)CC(=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccc(C)s2)CC(=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccc(Cl)cc2)C(C(=O)OC)C(=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccc(Cl)cc2)CC(=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccc(F)cc2)C(C(C)=O)=C(C)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccc3c(c2)OCO3)CC(=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccccc2)C(C(C)=O)=C(C)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccccc2C)C2=C(CCCC2=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccccc2Cl)C(C(=O)OC)C(=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccccc2F)C(C(C)=O)=C(C)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccccc2OCC)C(C#N)C(=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccccc2OCC)C(C(=O)OCC)C(=O)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccco2)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)N1,0,0.0,
+CCOC(=O)CSC1=C(C#N)C(c2ccco2)C(C(=O)OCc2ccccc2)=C(C)N1,0,0.0,
+CCOC(=O)CSC1=NC(=O)CS1,0,0.0,
+CCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N12,0,0.0,
+CCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N12,0,0.0,
+CCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N12,0,0.0,
+CCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N12,0,0.0,
+CCOC(=O)CSCC(=O)Nc1cc(C)ccc1C,0,0.0,
+CCOC(=O)CSCc1c(C#N)c2ccccc2n1C,0,0.0,
+CCOC(=O)CSCc1nc(-c2ccc(Cl)cc2)oc1C,0,0.0,
+CCOC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12,0,0.0,
+CCOC(=O)CSc1cc(C)nc(N)n1,0,0.0,
+CCOC(=O)CSc1cc(C)nc(NC(C)=O)n1,0,0.0,
+CCOC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1,0,0.0,
+CCOC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1,0,0.0,
+CCOC(=O)CSc1ccc2nnc(-c3cccs3)n2n1,0,0.0,
+CCOC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1,0,0.0,
+CCOC(=O)CSc1cn2c(n1)CCC2,0,0.0,
+CCOC(=O)CSc1n[nH]c(-c2cccnc2)n1,0,0.0,
+CCOC(=O)CSc1n[nH]c(-c2ccco2)n1,0,0.0,
+CCOC(=O)CSc1nc(-c2ccc(OC)cc2)ns1,0,0.0,
+CCOC(=O)CSc1nc(-c2ccc3c(c2)OCO3)ccc1C#N,0,0.0,
+CCOC(=O)CSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOC(=O)CSc1nc(-c2ccncc2)ccc1C#N,0,0.0,
+CCOC(=O)CSc1nc(C)c(C(=O)OCC)s1,0,0.0,
+CCOC(=O)CSc1nc(C)c(C(C)=O)cc1C#N,0,0.0,
+CCOC(=O)CSc1nc(C)c2cc(OC)ccc2n1,0,0.0,
+CCOC(=O)CSc1nc(C)cc(=O)[nH]1,0,0.0,
+CCOC(=O)CSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1,0,0.0,
+CCOC(=O)CSc1nc(C2CC2)nc2ccccc12,0,0.0,
+CCOC(=O)CSc1nc(CC)nc2ccccc12,0,0.0,
+CCOC(=O)CSc1nc(N(C)C)nc(N(C)C#N)n1,0,0.0,
+CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N,0,0.0,
+CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N,0,0.0,
+CCOC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,0,0.0,
+CCOC(=O)CSc1nc(N)c(C#N)c(CC(C)C)c1C#N,0,0.0,
+CCOC(=O)CSc1nc(N)c(C(=O)Nc2ccc(N(C)C)cc2)s1,0,0.0,
+CCOC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3,0,0.0,
+CCOC(=O)CSc1nc(N)cc(=O)[nH]1,0,0.0,
+CCOC(=O)CSc1nc(N)nc(C)c1Br,0,0.0,
+CCOC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2,0,0.0,
+CCOC(=O)CSc1nc(NC#N)nc(N(CC)CC)n1,0,0.0,
+CCOC(=O)CSc1nc(NCc2ccco2)c2ccccc2n1,0,0.0,
+CCOC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1C,0,0.0,
+CCOC(=O)CSc1nc2c(c(-c3ccc(C)o3)c1C#N)CCCC2,0,0.0,
+CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl,0,0.0,
+CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F,0,0.0,
+CCOC(=O)CSc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C,0,0.0,
+CCOC(=O)CSc1nc2c(c(=O)n1-c1ccc(OC)cc1)SCC2,0,0.0,
+CCOC(=O)CSc1nc2c(c(=O)n1-c1ccc(OCC)cc1)SCC2,0,0.0,
+CCOC(=O)CSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1,0,0.0,
+CCOC(=O)CSc1nc2c(sc(=S)n2CCc2ccccc2)c(=O)n1Cc1ccco1,0,0.0,
+CCOC(=O)CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccc(F)cc1,0,0.0,
+CCOC(=O)CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccccc1,0,0.0,
+CCOC(=O)CSc1nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c(=O)n1-c1ccccc1,0,0.0,
+CCOC(=O)CSc1nc2cc(C(=O)NCC3CCCO3)ccc2c(=O)n1Cc1ccco1,0,0.0,
+CCOC(=O)CSc1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1-c1ccc(F)cc1,0,0.0,
+CCOC(=O)CSc1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1C1CCCCC1,0,0.0,
+CCOC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N,0,0.0,
+CCOC(=O)CSc1nc2cc(C)ccc2cc1C#N,0,0.0,
+CCOC(=O)CSc1nc2cc(OC)ccc2cc1C#N,0,0.0,
+CCOC(=O)CSc1nc2cc(OCC)ccc2cc1C#N,0,0.0,
+CCOC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3,0,0.0,
+CCOC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1,0,0.0,
+CCOC(=O)CSc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CCOC(=O)CSc1nc2ccccc2c(=O)n1C,0,0.0,
+CCOC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1,0,0.0,
+CCOC(=O)CSc1nc2ccccc2c(=O)n1CC,0,0.0,
+CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccco2)CC1,0,0.0,
+CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1,0,0.0,
+CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1,0,0.0,
+CCOC(=O)CSc1nc2ccccc2c(=O)n1CCCCCC(=O)NCc1ccco1,0,0.0,
+CCOC(=O)CSc1nc2ccccc2c(=O)n1CCN1CCOCC1,0,0.0,
+CCOC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1,0,0.0,
+CCOC(=O)CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1,0,0.0,
+CCOC(=O)CSc1nc2ccccc2n1C(=O)OCC,0,0.0,
+CCOC(=O)CSc1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C,0,0.0,
+CCOC(=O)CSc1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+CCOC(=O)CSc1nc2ccccc2n1CC(=O)NC(C)(C)C,0,0.0,
+CCOC(=O)CSc1nc2ccccc2n2cnnc12,0,0.0,
+CCOC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1,0,0.0,
+CCOC(=O)CSc1nc2ccsc2c(=O)n1C1CCN(C(=O)OCC)CC1,0,0.0,
+CCOC(=O)CSc1nc2nc(C)cc(C)n2n1,0,0.0,
+CCOC(=O)CSc1nc2sc(C(=O)O)c(C)c2c(=O)[nH]1,0,0.0,
+CCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0.0,
+CCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C,0,0.0,
+CCOC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC(C)(C)OC3,0,0.0,
+CCOC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3,0,0.0,
+CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC(C)(C)OC3,0,0.0,
+CCOC(=O)CSc1nccc(N(C)C)c1C#N,0,0.0,
+CCOC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1,0,0.0,
+CCOC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1,0,0.0,
+CCOC(=O)CSc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+CCOC(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1,0,0.0,
+CCOC(=O)CSc1nn(C)c(=S)s1,0,0.0,
+CCOC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1CC,0,0.0,
+CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1,0,0.0,
+CCOC(=O)CSc1nnc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)o1,0,0.0,
+CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC,0,0.0,
+CCOC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1,0,0.0,
+CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1,0,0.0,
+CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1,0,0.0,
+CCOC(=O)CSc1nnc(-c2cccc(Br)c2)o1,0,0.0,
+CCOC(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC,0,0.0,
+CCOC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1,0,0.0,
+CCOC(=O)CSc1nnc(-c2ccccc2OC)o1,0,0.0,
+CCOC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1,0,0.0,
+CCOC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1,0,0.0,
+CCOC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1,0,0.0,
+CCOC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1,0,0.0,
+CCOC(=O)CSc1nnc(-c2ccncc2)o1,0,0.0,
+CCOC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(OCC)cc1,0,0.0,
+CCOC(=O)CSc1nnc(-c2nnc(SCC(=O)OCC)n2CC)n1CC,0,0.0,
+CCOC(=O)CSc1nnc(C)c(=O)[nH]1,0,0.0,
+CCOC(=O)CSc1nnc(C)n1N,0,0.0,
+CCOC(=O)CSc1nnc(C2CCCCC2)n1C,0,0.0,
+CCOC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1C,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccccc1OC,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1C,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)n1C,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)c(OC)c2)n1C,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1ccc(OC)cc1,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2)n1Cc1ccccc1,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2OC)n1-c1ccc(OC)cc1,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2OC)n1C,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C,1,100.0,0.0
+CCOC(=O)CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1C,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccccc1OC,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1-c1ccc(OC)cc1,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2ccco2)n1-c1ccc(F)cc1,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cc(C)ccc1C,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cc(OC)ccc1OC,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cccc(C)c1,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1ccccc1,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1CCc1ccccc1,0,0.0,
+CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1,0,0.0,
+CCOC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1,0,0.0,
+CCOC(=O)CSc1nnc(CNc2ccc(F)cc2)o1,0,0.0,
+CCOC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1,0,0.0,
+CCOC(=O)CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1,0,0.0,
+CCOC(=O)CSc1nnc(CNc2nc(-c3ccccc3)cs2)n1C,0,0.0,
+CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1Cc1ccco1,0,0.0,
+CCOC(=O)CSc1nnc(CSc2nc3ccccc3c(=O)[nH]2)n1-c1ccccc1,0,0.0,
+CCOC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1C,0,0.0,
+CCOC(=O)CSc1nnc(CSc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1C,0,0.0,
+CCOC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1,0,0.0,
+CCOC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1,0,0.0,
+CCOC(=O)CSc1nnc(Cc2ccccc2)n1CC1CCCO1,0,0.0,
+CCOC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1,0,0.0,
+CCOC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C,0,0.0,
+CCOC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,0,0.0,
+CCOC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1C,0,0.0,
+CCOC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1CC,0,0.0,
+CCOC(=O)CSc1nnc(N)s1,0,0.0,
+CCOC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1,0,0.0,
+CCOC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1,0,0.0,
+CCOC(=O)CSc1nnc(NCC(=O)OC(C)C)c(=O)[nH]1,1,100.0,0.0
+CCOC(=O)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1,0,0.0,
+CCOC(=O)CSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1,0,0.0,
+CCOC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1,0,0.0,
+CCOC(=O)CSc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1,0,0.0,
+CCOC(=O)CSc1nnc2c(n1)C1(C)CCC2C1(C)C,0,0.0,
+CCOC(=O)CSc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCCC4,0,0.0,
+CCOC(=O)CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCC4,0,0.0,
+CCOC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2,0,0.0,
+CCOC(=O)CSc1nncc2ccc(OC)c(OC)c12,0,0.0,
+CCOC(=O)CSc1nnnn1-c1cc(OC)c(Cl)cc1OC,0,0.0,
+CCOC(=O)CSc1nnnn1-c1cc(OC)ccc1OC,0,0.0,
+CCOC(=O)CSc1nnnn1-c1cccc2ccccc12,0,0.0,
+CCOC(=O)Cc1[nH]nc2c1C(C1C=CCCC1)C(C#N)=C(N)O2,0,0.0,
+CCOC(=O)Cc1[nH]nc2c1C(c1cc(OC)ccc1OC)C(C#N)=C(N)O2,0,0.0,
+CCOC(=O)Cc1[nH]nc2c1C(c1cccc(OC)c1OC)C(C#N)=C(N)O2,0,0.0,
+CCOC(=O)Cc1[nH]nc2c1C(c1ccoc1)C(C#N)=C(N)O2,0,0.0,
+CCOC(=O)Cc1c(C)c2c(C)[nH]nc2oc1=O,0,0.0,
+CCOC(=O)Cc1c(C)c2c(C)nn(-c3ccccc3)c2oc1=O,0,0.0,
+CCOC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O,0,0.0,
+CCOC(=O)Cc1c(C)c2ccc(N(CC)CC)cc2oc1=O,0,0.0,
+CCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O,0,0.0,
+CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)c[nH]n2c1=O,0,0.0,
+CCOC(=O)Cc1c(C)nc2c(-c3cccc(Br)c3)c[nH]n2c1=O,0,0.0,
+CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c[nH]n2c1=O,0,0.0,
+CCOC(=O)Cc1c(C)nc2c(C#N)c(C)nn2c1C,0,0.0,
+CCOC(=O)Cc1c(C)nc2cc(-c3ccc(C)cc3)[nH]n2c1=O,0,0.0,
+CCOC(=O)Cc1c[nH]c2ccccc12,0,0.0,
+CCOC(=O)Cc1cc(=O)[nH]c(Nc2nc3ccccc3o2)n1,0,0.0,
+CCOC(=O)Cc1cc(=O)c2c(=O)n(-c3ccccc3)[nH]c2[nH]1,0,0.0,
+CCOC(=O)Cc1cc(=O)n(-c2nc3ccccc3s2)[nH]1,0,0.0,
+CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccc(OC)cc3)cc2n1,0,0.0,
+CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccc(OC)cc3)c2n1,0,0.0,
+CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1,0,0.0,
+CCOC(=O)Cc1cc(=O)n2[nH]c(C)cc2n1,0,0.0,
+CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1,0,0.0,
+CCOC(=O)Cc1cn2c(=O)cc(CSCC(=O)Nc3ccc(C)c(C)c3)nc2s1,0,0.0,
+CCOC(=O)Cc1cnc(NC(=O)Cn2nnc(-c3ccc(OCC)cc3)n2)s1,0,0.0,
+CCOC(=O)Cc1cnc(NC(=O)NC(C(=O)OCC)(c2ccccc2)C(F)(F)F)s1,0,0.0,
+CCOC(=O)Cc1cnc(NC(=O)c2ccccc2)s1,0,0.0,
+CCOC(=O)Cc1csc(-n2sc3ccccc3c2=O)n1,0,0.0,
+CCOC(=O)Cc1csc(/C(=N/O)C(N)=O)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)C(C)(C)C)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)C2C3C=CC(C3)C2C(=O)O)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)C2CCCCC2C(=O)O)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CC)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CCS(=O)(=O)Cc2ccccc2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1,1,100.0,0.0
+CCOC(=O)Cc1csc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)COc2ccc(OC)cc2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)COc2ccccc2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)COc2ccccc2OC)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CS(=O)(=O)Cc2ccccc2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nc(C)cc(=O)[nH]2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nc3cccnc3n2CC)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(OC)cc2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-n3nc(C)cc3C)c3ccccc23)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nnc(C(C)C)n2C)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nnc(C(C)C)n2CC)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nnc(C)n2C)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nnc(C3CC3)n2C)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nnc(Cc3csc(N)n3)n2C)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(CC)cc2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)Cc2cccs2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2c(-c3ccccc3)noc2C)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2ccc(Br)s2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2ccc(C)o2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2cccc(OC)c2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2cccnc2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2ccco2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2cccs2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2ccoc2C)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2cnc3scc(C)n3c2=O)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2csc(C)c2)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(=O)c2csc3c2CCCC3)n1,0,0.0,
+CCOC(=O)Cc1csc(NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)n1,0,0.0,
+CCOC(=O)Cc1csc(NS(=O)(=O)Cc2ccccc2)n1,1,100.0,
+CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3CC)n1,0,0.0,
+CCOC(=O)Cc1csc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1,0,0.0,
+CCOC(=O)Cc1csc(SCC(=O)/C(C#N)=C(\C)N)n1,0,0.0,
+CCOC(=O)Cc1csc(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1,0,0.0,
+CCOC(=O)Cc1csc(SCC(=O)Nc2cccc(C#N)c2)n1,0,0.0,
+CCOC(=O)Cc1csc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1,0,0.0,
+CCOC(=O)Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1,1,100.0,
+CCOC(=O)Cc1csc(SCc2nc3ccccc3c(=O)[nH]2)n1,0,0.0,
+CCOC(=O)Cc1csc(SCn2nnc3ccccc3c2=O)n1,0,0.0,
+CCOC(=O)Cc1csc2nc3sc(C)c(C)c3c(=O)n12,0,0.0,
+CCOC(=O)Cc1nc2ccccc2[nH]1,1,100.0,0.0
+CCOC(=O)Cc1nn(C)c(=O)c2ccccc12,0,0.0,
+CCOC(=O)Cc1nn(CCc2ccccn2)c(=O)c2ccccc12,0,0.0,
+CCOC(=O)Cc1nn2c(=O)cc(C)nc2s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nc(C)cc(=O)[nH]2)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(C)c3n2)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nncn2C)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)CC)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)COc2ccc(C)cc2)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)CSc2ccccc2)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)CSc2nnc3c4ccccc4n(C(C)C)c3n2)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)CSc2nncn2C)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)Nc2ccccc2)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)c2cccc(OCC)c2)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)c2ccccc2OC)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)c2ccccc2OCC)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)c2ccco2)s1,0,0.0,
+CCOC(=O)Cc1nnc(NC(=O)c2ncn[nH]2)s1,0,0.0,
+CCOC(=O)Cc1nnc(Nc2cccc(O)c2)c2ccccc12,0,0.0,
+CCOC(=O)Cc1nnc2c(Nc3ccc(C)cc3)nc3nonc3n12,0,0.0,
+CCOC(=O)Cc1nnc2c(Nc3ccc(Cl)cc3)nc3nonc3n12,0,0.0,
+CCOC(=O)Cc1nnc2c(Nc3ccccc3F)nc3nonc3n12,0,0.0,
+CCOC(=O)Cc1nnn(CC(=O)OCC)n1,0,0.0,
+CCOC(=O)Cn1c(-c2ccccn2)nc2ccccc21,0,0.0,
+CCOC(=O)Cn1c(=N)n(CCOc2cccc(C)c2)c2ccccc21,1,100.0,0.0
+CCOC(=O)Cn1c(=N)n(Cc2ccccc2)c2ccccc21,0,0.0,
+CCOC(=O)Cn1c(=N)n(Cc2ccccc2F)c2ccccc21,0,0.0,
+CCOC(=O)Cn1c(=NC(=O)CSC(C)=O)sc2cc(OC)ccc21,0,0.0,
+CCOC(=O)Cn1c(=NC(=O)CSC(C)=O)sc2ccccc21,0,0.0,
+CCOC(=O)Cn1c(=O)c(-c2ccccc2N)nc2ccccc21,0,0.0,
+CCOC(=O)Cn1c(=O)c2c(nc(Br)n2CC(=O)OCC)n(C)c1=O,0,0.0,
+CCOC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccc(Cl)cc2)n(C)c1=O,0,0.0,
+CCOC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+CCOC(=O)Cn1c(=O)c2c(nc(N3CCCCC3)n2C)n(C)c1=O,0,0.0,
+CCOC(=O)Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+CCOC(=O)Cn1c(=O)c2c(nc3n2CCCCN3c2ccc(C)cc2)n(C)c1=O,0,0.0,
+CCOC(=O)Cn1c(=O)c2c(nc3n2CCCCN3c2ccc(OCC)cc2)n(C)c1=O,0,0.0,
+CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3Cc2ccccc2)n(C)c1=O,0,0.0,
+CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O,0,0.0,
+CCOC(=O)Cn1c(=O)c2c(nc3n2CCS3)n(C)c1=O,0,0.0,
+CCOC(=O)Cn1c(=O)n(CC(=O)OCC)c2ccccc21,0,0.0,
+CCOC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(C)Cc3ccco3)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)OCC)C3)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,1,100.0,0.0
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCn4c3nc3ccccc34)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCC3CCCO3)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCCCc3ccccc3)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccc(C)cc3)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccc(OCC)c(OCC)c3)ccc21,1,100.0,0.0
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3cccs3)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3c(C)cc(C)cc3C)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(Cl)ccc3OC)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(OCC)ccc3OCC)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(N(CC)CC)cc3C)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc21,0,0.0,
+CCOC(=O)Cn1c(=O)sc2ccccc21,0,0.0,
+CCOC(=O)Cn1c(C(=O)OCC)cc2sccc21,0,0.0,
+CCOC(=O)Cn1c(C(C)=O)nc2ccccc21,0,0.0,
+CCOC(=O)Cn1c(C)c(Br)c(=O)c2cccc(C)c21,0,0.0,
+CCOC(=O)Cn1c(C)c(C#N)c2ccccc21,0,0.0,
+CCOC(=O)Cn1c(C)cc(=O)c2cccc(C)c21,0,0.0,
+CCOC(=O)Cn1c(C)nc2c(C(=O)OCC)sc(C)c2c1=O,0,0.0,
+CCOC(=O)Cn1c(C)nc2ccccc21,0,0.0,
+CCOC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(F)cc1,0,0.0,
+CCOC(=O)Cn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOC(=O)Cn1c(CN2CC(C)OC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOC(=O)Cn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOC(=O)Cn1c(CN2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOC(=O)Cn1c(N)c(C(=O)OC)sc1=S,0,0.0,
+CCOC(=O)Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOC(=O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOC(=O)Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21,0,0.0,
+CCOC(=O)Cn1c(SC)nc2sc3c(c2c1=O)CC(C)(C)OC3,0,0.0,
+CCOC(=O)Cn1c2c(c(-c3ccccc3OC)cc1=O)CCCC2,0,0.0,
+CCOC(=O)Cn1c2c(c(=N)c3c1CCC3)CCC2,0,0.0,
+CCOC(=O)Cn1c2c(c(=N)c3ccccc31)CCC2,0,0.0,
+CCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21,0,0.0,
+CCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21,0,0.0,
+CCOC(=O)Cn1cc(-c2ccccc2)nn1,0,0.0,
+CCOC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21,0,0.0,
+CCOC(=O)Cn1cc(C(=O)OC)c2ccccc21,0,0.0,
+CCOC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21,0,0.0,
+CCOC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21,0,0.0,
+CCOC(=O)Cn1cnc2c(C#N)c3n(c2c1=O)CCCCC3,0,0.0,
+CCOC(=O)Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,0,0.0,
+CCOC(=O)Cn1cnc2c(nnn2-c2ccc(C)cc2)c1=O,0,0.0,
+CCOC(=O)Cn1cnc2c(nnn2-c2ccc(OC)cc2)c1=O,0,0.0,
+CCOC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O,0,0.0,
+CCOC(=O)Cn1cnc2sc3c(c2c1=O)CCC3,0,0.0,
+CCOC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O,0,0.0,
+CCOC(=O)Cn1nc(-c2ccc(Cl)cc2)cc1N,0,0.0,
+CCOC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O,0,0.0,
+CCOC(=O)Cn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CCOC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1,0,0.0,
+CCOC(=O)Cn1nc(C)c(-c2ccccc2)c1N,0,0.0,
+CCOC(=O)Cn1nc(C)c2ccccc2c1=O,0,0.0,
+CCOC(=O)Cn1ncc(-c2ccccc2)c1N,0,0.0,
+CCOC(=O)Cn1nnc(-c2ccc(OCC(C)C)cc2)n1,0,0.0,
+CCOC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1,0,0.0,
+CCOC(=O)Cn1nnc(-c2ccc(SC)cc2)n1,0,0.0,
+CCOC(=O)Cn1nnc(-c2cccc(OC)c2)n1,0,0.0,
+CCOC(=O)Cn1nnnc1C(C(C)C)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1,0,0.0,
+CCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1,0,0.0,
+CCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1,0,0.0,
+CCOC(=O)Cn1nnnc1C(CC)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O,0,0.0,
+CCOC(=O)Cn1nnnc1C(CC)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O,0,0.0,
+CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O,0,0.0,
+CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O,0,0.0,
+CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O,0,0.0,
+CCOC(=O)Cn1nnnc1CN(Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O,0,0.0,
+CCOC(=O)N(C)OC(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+CCOC(=O)N(C)c1ccc(C(O)(C(=O)OCC)C(F)(F)F)cc1,0,0.0,
+CCOC(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0.0,
+CCOC(=O)N(CC)c1ccc(C(O)(C(=O)OC)C(F)(F)F)cc1,0,0.0,
+CCOC(=O)N(CC)c1ccc(C(O)(C(=O)OCC)C(F)(F)F)cc1,0,0.0,
+CCOC(=O)N(Cc1ccccc1)C(C(=O)O)C(C(=O)O)N(Cc1ccccc1)C(=O)OCC,0,0.0,
+CCOC(=O)N(c1ccccc1)P1(=S)OCCO1,0,0.0,
+CCOC(=O)N/C(N)=N/c1nc2ccccc2s1,0,0.0,
+CCOC(=O)N1C(=O)c2cc(OC)ccc2S1(=O)=O,0,0.0,
+CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OCC)c3)[C@H]2C1,0,0.0,
+CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC)c(OCC)c3)[C@H]2C1,0,0.0,
+CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3OCC)[C@H]2C1,0,0.0,
+CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1,0,0.0,
+CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@H]2C1,0,0.0,
+CCOC(=O)N1CCC(=C(C#N)C(=O)Nc2cc(OC)ccc2OC)CC1,0,0.0,
+CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,1,100.0,1.0
+CCOC(=O)N1CCC(C(=O)Nc2ccc(OCC)cc2)CC1,0,0.0,
+CCOC(=O)N1CCC(C(N)=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N(C(=O)Nc2ccc(CC)cc2)C(C)CC)CC1,0,0.0,
+CCOC(=O)N1CCC(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)CC)CC1,0,0.0,
+CCOC(=O)N1CCC(N(C(=O)Nc2cccc(OC)c2)C(C)CC)CC1,0,0.0,
+CCOC(=O)N1CCC(N(C(=O)Nc2ccccc2)C(C)CC)CC1,0,0.0,
+CCOC(=O)N1CCC(N(CCCOC)C(=O)Nc2ccc(CC)cc2)CC1,0,0.0,
+CCOC(=O)N1CCC(N(CCCOC)C(=O)Nc2cccc(OC)c2)CC1,0,0.0,
+CCOC(=O)N1CCC(N(CCOC)C(=O)Nc2ccc(CC)cc2)CC1,0,0.0,
+CCOC(=O)N1CCC(N(CCOC)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+CCOC(=O)N1CCC(N(CCOC)C(=O)Nc2ccc(Cl)cc2)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3cc(C(=O)NC4CCCCC4)ccc3C2O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)NC4CCCCCC4)cc3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)NCc4ccc(F)cc4)cc3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)NCc4ccco4)cc3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4ccc(F)cc4F)cc3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)O)cc3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1,1,100.0,0.0
+CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(Cl)c(OC)cc2OC)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(OC)c(OC)c(OC)c2)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccc(Cl)cn2)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccc3c(C)cc(=O)oc3c2)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccc3c(c2)OCCO3)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccccc2C)CC1,0,0.0,
+CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cccnc2)CC1,0,0.0,
+CCOC(=O)N1CCC(N2CC34C=CC(O3)C(C(=O)Nc3ccc(C(C)C)cc3)C4C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2CC34C=CC(O3)C(C(=O)Nc3ccc(C)cc3)C4C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2CC34C=CC(O3)C(C(=O)Nc3ccc(F)cc3)C4C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2CC34C=CC(O3)C(C(=O)Nc3ccc(OCC)cc3)C4C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2CCN(S(=O)(=O)CC)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N4CCN(C5CCCCC5)CC4)c3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NC(C)c4ccc5c(c4)OCCO5)c3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCC4CCN(CC(C)C)C4)c3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccc(C)cc4)c3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccccn4)c3C2=O)CC1,1,100.0,1.0
+CCOC(=O)N1CCC(N2Cc3cccc(C(=O)Nc4cc(F)ccc4F)c3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(N2Cc3cccc(C(=O)Nc4ccc(OC)c(OC)c4)c3C2=O)CC1,1,100.0,
+CCOC(=O)N1CCC(N2Cc3cccc(C(=O)O)c3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C(C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C(CC(C)C)NC(=O)C2CCCCC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C(Cc2ccccc2)NC(=O)C2CCCCC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C(NC(=O)C2CCCCC2)C(C)C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(OC)cc3)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCCN(C(=O)N3CCOc4ccccc43)C2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCCN(C(=O)c3cc4sccc4n3C)C2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCCN(Cc3nc(-c4cccc(Cl)c4)oc3C)C2)CC1,1,100.0,
+CCOC(=O)N1CCC(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCCN(S(C)(=O)=O)C2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCCN(c3nc4ccccc4o3)C2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCCN2C(=O)OCc2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)N3CC(C)Oc4ccc(C)cc43)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)N3CCOc4ccccc43)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCN(Cc3nc(-c4ccc(CC)cc4)oc3C)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C2CCN(c3nc(-c4ccc(OC)cc4)no3)CC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCC(=O)N2CC(C)Oc3ccc(C)cc32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCC(=O)N2CC(C)Oc3ccc(Cl)cc32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCC(=O)N2CC(C)Oc3ccccc32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCC(=O)N2CCOc3ccc(C)cc32)CC1,1,100.0,
+CCOC(=O)N1CCC(NC(=O)CCC(=O)N2CCOc3ccccc32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCC(=O)c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCCN2C(=O)CSc3nc(C)cc(C)c32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCCN2C(=O)CSc3ncccc32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCN2C(=O)COc3ccccc32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)CC1,1,100.0,0.0
+CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3nc(C)nn3c2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3ncnn3c2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCc2cn(C)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCc2nc(-c3ccccc3F)no2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CN2C(=O)C(CC)Oc3ccc(C)cc32)CC1,1,100.0,0.0
+CCOC(=O)N1CCC(NC(=O)CN2C(=O)CCSc3ccccc32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CN2C(=O)CSc3nc(C)cc(C)c32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CN2C(=O)CSc3ncccc32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)COc2cc(=O)n(C)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3cccc(OC)c3)oc2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)C[S+]([O-])Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CSCc2nc(-c3cccc(OC)c3)oc2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CSCc2nc(-c3sccc3C)oc2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CSc2cc(=O)n(C)c3ccc(Cl)cc23)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CSc2cc(=O)n(C)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)CSc2cc(=O)n(CC)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cc2ccc(-n3c(=O)[nH]c4ccccc4c3=O)cc2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cc2cn(C)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2c3c(c(-c4ccccc4Cl)cc2=O)CCC3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2c3ccccc3c3cn[nH]c(=O)c32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2cc3c(n2)CCC(C)C3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2cc3c(n2)CCCC3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2cc3c(n2)CCCCC3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2cccc2C(=O)c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2cccc2C(=O)c2ccccc2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2ncc3ccccc32)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)Cn2ncn3c(cc4sc(CC)cc43)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(-c3ccc(F)cc3)[nH]c2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)NC3CCCC3)ccc2CO)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccc2CO)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)NCc3cccc(Cl)c3)ccc2CO)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2CO)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc2CO)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)Nc3ccc(OCC)cc3)ccc2CO)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)Nc3cccc(OC)c3)ccc2CO)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2F)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cn2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4ccc(OC)c(OC)c4)nn(C)c3s2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc3c(C)nc4ccccc4c3o2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc3cc4cc(OC)ccc4nc3o2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc3ccccn3n2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cc3sccc3n2CC)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc(CS(=O)(=O)c3ccc(OC)cc3)o2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc(OC)c(CN3CC(=O)N4CCCC4C3=O)c2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCC4)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(C)CCS3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(CC)CCS3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)ncn3C2CCCC2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4cccc(OC)c4)cn23)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2ccc3snnc3c2)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(CCOC)C3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cccn3c(=O)c4cc(Br)ccc4nc23)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cccnc2SC)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4cccc(OC)c4)nc23)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cnn3c2NC(c2ccco2)CC3C(F)(F)F)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cnn3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2cnn3cccnc23)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2csc3c2CCCC3)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2sc(-n3cccc3)nc2C)CC1,0,0.0,
+CCOC(=O)N1CCC(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)CC1,1,100.0,0.0
+CCOC(=O)N1CCC(NC2CCCCCCC2)CC1,1,100.0,1.0
+CCOC(=O)N1CCC(NCCNC(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1,1,100.0,
+CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1,1,100.0,
+CCOC(=O)N1CCC(NS(=O)(=O)c2cc(Br)cc3c2N(C(=O)CC)CC3)CC1,0,0.0,
+CCOC(=O)N1CCC(NS(=O)(=O)c2cc(Br)cnc2N)CC1,0,0.0,
+CCOC(=O)N1CCC(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1,0,0.0,
+CCOC(=O)N1CCC(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1,0,0.0,
+CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1,1,100.0,0.0
+CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1,0,0.0,
+CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2c(-c3ccc(C)c(C)c3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2c(-c3ccc(C)cc3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2c(N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2c(NCCCN(C)Cc3ccccc3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2c(NCCCN(CC)c3cccc(C)c3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2c(NCCCN3CCN(c4ccc(OC)cc4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2c(NCCCOC)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2c(NCCN3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1,1,100.0,0.0
+CCOC(=O)N1CCC(Nc2c(NCCN3CCN(c4cccc(Cl)c4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2c(Nc3ccc(C)c(C)c3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2c(Nc3cccc(CC)c3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2c(OCC)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2cc(C)nc3c(-c4ccccc4OC)c(C)nn23)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2ccc3nnc(-c4ccccc4)n3n2)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2cccc(SC)c2)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2nc3ccccc3n3cnnc23)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2nc3ccccc3n3nnnc23)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1,0,0.0,
+CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCC(O)(c2cc(C)c(C)cc2C)CC1,0,0.0,
+CCOC(=O)N1CCC(c2[nH][nH]c(=O)c2C)CC1,0,0.0,
+CCOC(=O)N1CCC(c2cc(=O)n3[nH]c(-c4ccccc4)cc3n2)CC1,0,0.0,
+CCOC(=O)N1CCC(c2cc(=O)n3[nH]c(C)c(-c4ccc(F)cc4)c3n2)CC1,0,0.0,
+CCOC(=O)N1CCC(c2cc(=O)n3[nH]cc(C(=O)OC)c3n2)CC1,0,0.0,
+CCOC(=O)N1CCC(c2nc(C)sc2C(=O)O)CC1,0,0.0,
+CCOC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,0,0.0,
+CCOC(=O)N1CCC(n2c(=S)[nH]c3cc(OC)c(OC)cc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(n2c(=S)[nH]c3cc(OCC)c(OCC)cc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(n2c(SCC(=O)NCCC3=CCCCC3)nc3ccccc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(n2c(SCC(=O)NCc3ccccc3)nc3ccccc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(n2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(n2c(SCC(=O)Nc3ccccc3OC)nc3ccccc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC(n2c(SCC(=O)Nc3nccs3)nc3ccsc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1c2c(C)nn1-c1cccc(Cl)c1,0,0.0,
+CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12,0,0.0,
+CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(CSc3ccc(C)cc3)c12,0,0.0,
+CCOC(=O)N1CCC2(CC1)C(C(=O)C13CC4CC(CC(C4)C1)C3)C2(C#N)C#N,0,0.0,
+CCOC(=O)N1CCC2(CC1)CC(=O)c1c(ccc3oc(C(=O)O)c(C)c13)O2,1,100.0,0.0
+CCOC(=O)N1CCC2(CC1)CC(=O)c1cc(O)ccc1O2,0,0.0,
+CCOC(=O)N1CCC2(O)CCCCC2C1c1ccc(F)cc1,0,0.0,
+CCOC(=O)N1CCN(/C=C(\C#N)c2nc3ccccc3s2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1,1,100.0,0.0
+CCOC(=O)N1CCN(C(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C(C)n2nc(C)n3c(cc4sccc43)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C(CC(C)C)NC(=O)C2CCCCC2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C(CC)n2nc(C)c3sc4ccccc4c3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C(NC(=O)c2ccc(CC)cc2)C(C)C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C(NS(=O)(=O)c2cccc3nsnc23)c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CC(=O)N(Cc3ccc(OC)cc3)C2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(OC)cc3)C2c2ccc(OC)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CC(c3cc(OC)ccc3OC)=NO2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CC(c3ccccc3OC)=NO2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCC(=O)N2C(C)C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCC(C(=O)N3CCN(C(=O)OCC)CC3)CC2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1,1,100.0,0.0
+CCOC(=O)N1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCC(Cn3c(=S)[nH]c4ccccc4c3=O)CC2)CC1,1,100.0,0.0
+CCOC(=O)N1CCN(C(=O)C2CCCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)C2)CC1,1,100.0,1.0
+CCOC(=O)N1CCN(C(=O)C2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCCN(S(C)(=O)=O)C2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCCN(c3nc4ccc(OCC)cc4s3)C2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCCN(c3ncnc4c3sc3cccc(F)c34)C2)CC1,1,100.0,1.0
+CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3CC)CC2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)CC1,1,100.0,0.0
+CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)N(CC)CC)CC2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)CC1,1,100.0,1.0
+CCOC(=O)N1CCN(C(=O)C2COc3ccccc3O2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4C23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CC(C(=O)N2CCc3ccccc32)n2ccnc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCC(=O)N2CCOc3ccc(C)cc32)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCCN2C(=O)CSc3nc(C)cc(C)c32)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCCOc2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCCn2c(=S)[nH]c3ccccc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCN2C(=O)COc3ccc(C)cc32)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCS(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCSCCc2ccncc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCSc2ccc(C)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCSc2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)c(C)c3)c2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCc2c(C)nc3nc(C)nn3c2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCn2c(=S)[nH]c3cc(OCC)c(OCC)cc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CCn2nc(-c3ccccc3)ccc2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)CC1,1,100.0,0.0
+CCOC(=O)N1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1,1,100.0,0.0
+CCOC(=O)N1CCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CN2C(=O)COc3ccc(C)cc32)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CNC(=O)Cc2ccc(Cl)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)COc2cc(=O)n(C)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)COc2cc(=O)n(CC)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)COc2ccc3c(c2)C(=O)CC2(CCN(C(C)=O)CC2)O3)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)COc2ccccc2Cl)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)COc2ccccc2OC)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2cn(Cc3ccccc3C)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C[S+]([O-])Cc2nc(-c3ccc(C)cc3)oc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)C[S+]([O-])Cc2nc(-c3cccc(C)c3)oc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSCC(=O)N=c2sc3cc(OC)ccc3n2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSCC(=O)N=c2sc3ccccc3n2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccccc3)cs2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSCc2nc(-c3ccccc3C)oc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSCc2nc(-c3ccccc3F)oc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2cc(C)nc3c(-c4ccccc4OC)c(C)nn23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nc(-c3cccc(C)c3)ns2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2ncccn2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2ncnc3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2CCOC)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cc(OC)ccc3OC)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(C)c(C)c3)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cccs3)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(C3COc4ccccc4O3)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(COc3ccccc3)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(Cc3ccccc3)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cc2ccc(-n3c(=O)[nH]c4ccccc4c3=O)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cc2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cc2cccs2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cc2ccsc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cn2c(=O)sc3ccccc32)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cn2c(C)cc3ccccc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cn2nc(C)c3sc4ccccc4c3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cn2ncc3ccccc32)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)N2CCOCC2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Nc2ccc3nc(C)c(C)nc3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Nc2ccc3nc(C)sc3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Nc2ccc3oc(C)nc3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)Nc2sc3nc4n(c(=O)c3c2C)CCC(C)CC4)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2c(O)c3cccc4c3n(c2=O)CC4)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]c2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc(-n3cnnc3)ccc2Cl)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc(C)no2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc(Cl)c(Cl)cc2C(=O)O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc(Cl)ccc2NC(=O)c2ccc(OC)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cc3sccc3n2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(C#CC3(O)CCCCC3)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(OC)cc3)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(OC)cc3)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(Cn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)c(NC(C)=O)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(-c4ccc(OC)cc4)c(=S)[nH]c3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(-c4ccc(OC)cc4OC)c(=S)[nH]c3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(CCC4=CCCCC4)c(=O)[nH]c3c2)CC1,1,100.0,1.0
+CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(CCC4=CCCCC4)c(=S)[nH]c3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(CCOC)c(=O)[nH]c3c2)CC1,1,100.0,0.0
+CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)CC1,1,100.0,1.0
+CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=S)[nH]c3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccc(Cl)cc4)c(=S)[nH]c3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccc(OC)cc4)c(=S)[nH]c3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccccc4)c(=S)[nH]c3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1,1,100.0,1.0
+CCOC(=O)N1CCN(C(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCC4)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCCC4)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N(CC)CCS3)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)ncn3C2CCCC2)CC1,1,100.0,0.0
+CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn23)CC1,1,100.0,1.0
+CCOC(=O)N1CCN(C(=O)c2ccc3nc(C)sc3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3nc(N4CCCCC4)sc3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3nc(SCc4ccc(F)cc4)n(C)c3c2)CC1,1,100.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3nc4cc(Cl)ccc4c(=O)n3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3nc4ccc(Cl)cc4c(=O)n3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccc3nc4ccsc4c(=O)n3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cccc(-n3c(=S)[nH]c4cc(Cl)ccc4c3=O)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cccc(NC3=NC4CS(=O)(=O)CC4S3)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccccc2N(C)S(C)(=O)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cccn3c(=O)c4sccc4nc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cn(CC(C)C)c(=O)c3c2c2ccccc2n3C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cn(CC)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cnc(Nc3ccccc3OC)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cnn3c(C)c(Cc4ccc(C)cc4)c(C)nc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cnn3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2cnsn2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2csc3c2CCCCC3)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2nn(-c3cc(OC)cc(OC)c3)c(=O)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3c2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CCCCC4)cc3c2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CCCCCC4)cc3c2C)CC1,1,100.0,0.0
+CCOC(=O)N1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)CC1,0,0.0,
+CCOC(=O)N1CCN(C(C)C(=O)c2c[nH]c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(C(c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(c2ccc(C)cc2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(c2ccc(Cl)cc2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(c2ccc(F)cc2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(c2cccc(OC)c2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+CCOC(=O)N1CCN(C(c2ccccc2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+CCOC(=O)N1CCN(C/C(C)=C/c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(C2=CC(=O)OC23CCCCC3)CC1,0,0.0,
+CCOC(=O)N1CCN(C2=NC3(CCCCC3)C(C#N)C(=O)N2)CC1,0,0.0,
+CCOC(=O)N1CCN(C2=Nc3cccc4cccc2c34)CC1,1,100.0,
+CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(C)cc3)C2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C2CC(=O)N(c3ccccc3)C2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(C2OC(=O)c3ccccc32)CC1,1,100.0,
+CCOC(=O)N1CCN(CC(=O)N2c3ccccc3CC2C)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccc(Cl)cc23)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(Cl)c23)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)CC1,1,100.0,0.0
+CCOC(=O)N1CCN(CC(=O)Nc2cc(OCC)ccc2OCC)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(=O)Nc2ccc(C)c(Br)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(=O)Nc2ccc(OC)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(=O)c2c(C)[nH]c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCN3)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(=O)n2c(C)c(C)c3ccccc32)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(O)COC(CC)c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(O)COC2CC(C)CC(C)(C)C2)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(O)COCC2=CCC3CC2C3(C)C)CC1,1,100.0,1.0
+CCOC(=O)N1CCN(CC(O)COc2c(OC)cccc2OC)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(O)COc2ccccc2C(C)C)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(O)COc2ccccc2C(C)CC)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(O)c2ccc3c(c2)CCN3)CC1,0,0.0,
+CCOC(=O)N1CCN(CC(O)c2ccc3cc[nH]c3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(CCC(=O)Nc2ccc(C)c(Br)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(CCC(=O)Nc2cccc(Br)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(CCC(=O)c2ccc(Cl)cc2)CC1,1,100.0,
+CCOC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2ccccc2Cl)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2ccccc2F)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2ccccn2)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2cccs2)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2cn3ccccc3n2)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cc(C)ccc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCC(C)C)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cc(C)ccc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(Cc2oc(CO)cc(=O)c2O)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)N(C)C)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)CC1,1,100.0,0.0
+CCOC(=O)N1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)CC)CC3)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)C(C)C3)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2C)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1,1,100.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC)ccc2OCC)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CC(C)CC4)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(F)cc4s3)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2C)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccccc1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3cc(C)cc(C)c3)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(C)c3C)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(C)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c3ccccc23)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)SC(C)C(=O)N3)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)SCC(=O)N3)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cccc3ccc(C)nc23)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+CCOC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(-c3ccc(C(C)C)cc3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(-c3ccc(C)c(C)c3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(-c3ccc(C)cc3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(F)cc3[nH]c(=S)[nH]c3c2Br)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(N3CC=C(c4ccccc4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(N3CCC(N4CCCCC4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(N3CCN(c4ccccc4OC)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(N3CCN(c4ccccn4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(N3CCOCC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(N3CCc4ccccc43)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(N3CCc4ccccc4C3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NC3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCC3CCCO3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCC3CCN(Cc4cccc(C)c4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCCCN(C)c3ccccc3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCCCN(CC)Cc3ccccc3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCCCN(CC)c3cccc(C)c3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCCCOC(C)C)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCCN(C)Cc3ccccc3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCCN3CCCCC3CC)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCCN3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCCc3ccc(OC)c(OC)c3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCCc3ccc(OCC)c(OCC)c3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCc3ccccc3OC)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCc3ccccn3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(NCc3cccs3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(Nc3cc(C)[nH]n3)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2c(Nc3ccc4c(c3)OCCO4)c(=O)c2=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2cc(=O)n(-c3ccc(OCC)cc3)c(=O)[nH]2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2cc(=O)n(-c3cccc(Br)c3)c(=O)[nH]2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2cc(C)c(C(C)=O)cc2F)CC1,0,0.0,
+CCOC(=O)N1CCN(c2cc(C)nc3nc(C)nn23)CC1,0,0.0,
+CCOC(=O)N1CCN(c2cc(NCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2cc3[nH]c(=S)[nH]c3cc2F)CC1,0,0.0,
+CCOC(=O)N1CCN(c2cc3nccnc3cc2F)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ccc(C(=O)CC)cc2F)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ccc(C(=O)c3cccc(F)c3)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2F)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cn2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ccc3nnnn3n2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)n2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc(=S)n(-c3ccccc3)c(C)c2C(C)=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc(C(F)(F)F)nc3c(C)cc(C)cc23)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc(C)c3c(n2)CC(C)CC3=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc(C)c3c(n2)CCCC3=O)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc(C)cc(C(F)(F)F)n2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc(N(c3ccccc3)c3ccccc3)nc(-n3ccnc3)n2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc(SC)nc3sc4c(c23)CC(C)(C)OC4)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ncnc3c2[nH]c2ccc(OC)cc23)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ncnc3c2cnn3-c2ccc(OC)cc2)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ncnc3c2oc2nc(C(C)C)c4c(c23)CCC4)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ncnc3c2oc2nc(C)c4c(c23)CC(C)(C)OC4)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ncnc3c2oc2nc(CC(C)C)c4c(c23)CCC4)CC1,0,0.0,
+CCOC(=O)N1CCN(c2ncnc3nc[nH]c23)CC1,0,0.0,
+CCOC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1,0,0.0,
+CCOC(=O)N1CCOCCOCCN(C(=O)OCC)CCOCC1,0,0.0,
+CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C(N)=O)C1,0,0.0,
+CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C#N)C1,0,0.0,
+CCOC(=O)N1CCc2c(sc(NC(C)=O)c2C(N)=O)C1,0,0.0,
+CCOC(=O)N1CCc2c(sc3c2C(=O)NC(c2ccc(-c4ccc(Cl)cc4)o2)N3)C1,0,0.0,
+CCOC(=O)N1CCc2c(sc3c2C(=O)NC(c2ccccc2)N3)C1,0,0.0,
+CCOC(=O)N=S(N)(=O)c1ccc(Cl)cc1,0,0.0,
+CCOC(=O)N=S(N)(=O)c1ccccc1,0,0.0,
+CCOC(=O)NC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O,1,100.0,
+CCOC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCOC(=O)NC(=O)CSc1ccccn1,0,0.0,
+CCOC(=O)NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N,0,0.0,
+CCOC(=O)NC(=O)CSc1nc(C)cc(C)c1C#N,0,0.0,
+CCOC(=O)NC(=O)CSc1nc2ccc(OCC)cc2[nH]1,0,0.0,
+CCOC(=O)NC(=O)CSc1nnc(C)s1,0,0.0,
+CCOC(=O)NC(=O)CSc1nnnn1-c1ccc(C)cc1,0,0.0,
+CCOC(=O)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1,0,0.0,
+CCOC(=O)NC(=O)CSc1nnnn1-c1ccccc1,0,0.0,
+CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1,0,0.0,
+CCOC(=O)NC(CC(=O)O)c1ccc(OC)cc1,0,0.0,
+CCOC(=O)NC(NCC(O)c1ccccc1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCOC(=O)NC(Nc1cc(C)ccn1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCOC(=O)NC(Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCOC(=O)NC(Nc1ccc(C)cn1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCOC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)(C(=O)OCC)C(F)(F)F,0,0.0,
+CCOC(=O)NC(Nc1nc2ccccc2s1)(C(=O)OCC)C(F)(F)F,0,0.0,
+CCOC(=O)NC(Nc1ncccn1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCOC(=O)NC(Nc1nnc(C)s1)(C(=O)OCC)C(F)(F)F,0,0.0,
+CCOC(=O)NC(Nc1nnc(SCC)s1)(C(F)(F)F)C(F)(F)F,0,0.0,
+CCOC(=O)NC(Nc1sc2c(c1C(=O)OC)CCN(C)C2)(C(F)(F)F)C(F)(F)F,1,100.0,0.0
+CCOC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OCC)C(F)(F)F,0,0.0,
+CCOC(=O)NC(O)C(=O)c1cccs1,0,0.0,
+CCOC(=O)NC(c1ccccc1)C1CCCCC1=O,0,0.0,
+CCOC(=O)NC1(C(F)(F)F)C(=O)N(Cc2ccccn2)C2=C1C(=O)CC(C)(C)C2,0,0.0,
+CCOC(=O)NC1(C(F)(F)F)C(=O)NC(C)=C1C#N,0,0.0,
+CCOC(=O)NC1(C(F)(F)F)C(=O)NC(C)=C1C(=O)OC,0,0.0,
+CCOC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O,0,0.0,
+CCOC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O,0,0.0,
+CCOC(=O)NC1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O,0,0.0,
+CCOC(=O)NC1(NC2CCCCC2)Oc2ccccc2O1,0,0.0,
+CCOC(=O)NC1(NCc2ccccc2)Oc2ccccc2O1,0,0.0,
+CCOC(=O)NC1(Nc2ccc(Cl)cn2)Oc2ccccc2O1,0,0.0,
+CCOC(=O)NC1C=CS(=O)(=O)C1,0,0.0,
+CCOC(=O)NC1CCS(=O)(=O)C1,0,0.0,
+CCOC(=O)NCC(C#CCN(CC)CC)N(CC)CC,0,0.0,
+CCOC(=O)NCC(C)(C)CNC(=O)OCC,0,0.0,
+CCOC(=O)NCCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C,0,0.0,
+CCOC(=O)NCCc1ccc(OC)cc1,0,0.0,
+CCOC(=O)NCc1ccc(CNC(=O)OCC)cc1,0,0.0,
+CCOC(=O)NCc1ccc(Cl)c(Cl)c1,0,0.0,
+CCOC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2C)cc1,0,0.0,
+CCOC(=O)NCc1ccc2[nH]c(C)cc2c1,0,0.0,
+CCOC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)NCc1ccc2c(c1)cc(C)n2C,0,0.0,
+CCOC(=O)Nc1c(C(=O)OC)[nH]c2cc(OC)ccc12,0,0.0,
+CCOC(=O)Nc1c(C(=O)OC)[nH]c2cccc(OC)c12,0,0.0,
+CCOC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+CCOC(=O)Nc1c(O)ccc2oc(C)c(-c3ccccc3)c12,0,0.0,
+CCOC(=O)Nc1cc(=O)c2ccccc2o1,0,0.0,
+CCOC(=O)Nc1cc(Br)c2c(c1)OCCO2,0,0.0,
+CCOC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1,0,0.0,
+CCOC(=O)Nc1cc(C(=O)OCC)c(C)nc1C,0,0.0,
+CCOC(=O)Nc1cc(C)c(Cl)cc1OC,0,0.0,
+CCOC(=O)Nc1cc(OC)c(OC)cc1Cc1nccc2cc(OC)c(OC)cc12,0,0.0,
+CCOC(=O)Nc1cc(OCC)c(NC(=O)C2CC2)cc1OCC,0,0.0,
+CCOC(=O)Nc1cc2c(C)cc(=O)oc2cc1C,0,0.0,
+CCOC(=O)Nc1cc2c(cc1C(C)=O)OCO2,0,0.0,
+CCOC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1,0,0.0,
+CCOC(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,0,0.0,
+CCOC(=O)Nc1ccc(C(N)=O)cc1,0,0.0,
+CCOC(=O)Nc1ccc(C)cc1Br,0,0.0,
+CCOC(=O)Nc1ccc(NC(=O)c2c(OC)cccc2OC)cc1,0,0.0,
+CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+CCOC(=O)Nc1ccc(OC)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+CCOC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CCOC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1,0,0.0,
+CCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1,0,0.0,
+CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1,0,0.0,
+CCOC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1,0,0.0,
+CCOC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1,0,0.0,
+CCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1,0,0.0,
+CCOC(=O)Nc1ccc2c(CN3C(=O)NC4(CCCC4)C3=O)cc(=O)oc2c1,0,0.0,
+CCOC(=O)Nc1ccc2c(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc(=O)oc2c1,0,0.0,
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(C)C)c1ccccc1S2,1,100.0,1.0
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2,1,100.0,1.0
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1[S+]2[O-],1,100.0,1.0
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1C=C2,1,100.0,1.0
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCN(C)CC1)c1ccccc1S2,1,100.0,1.0
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCN3CCCC3C1)c1ccccc1CC2,1,100.0,1.0
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)N(C)C)c1ccccc1CC2,0,0.0,
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)N(CC)CC)c1ccccc1CC2,0,0.0,
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)N1CCN(C)CC1)c1ccccc1S2,1,100.0,1.0
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)OC)c1ccccc1CC2,0,0.0,
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)OCCN(C)C)c1ccccc1CC2,1,100.0,1.0
+CCOC(=O)Nc1ccc2c(c1)Nc1ccccc1S2,0,0.0,
+CCOC(=O)Nc1ccc2c(c1)Sc1ccccc1N2C(=O)CCN1CCOCC1,1,100.0,1.0
+CCOC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(C)=O)CC1)n2C,0,0.0,
+CCOC(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C,0,0.0,
+CCOC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1,0,0.0,
+CCOC(=O)Nc1ccc2ncn(C)c(=O)c2c1,0,0.0,
+CCOC(=O)Nc1cccc(Cl)c1C,0,0.0,
+CCOC(=O)Nc1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1,0,0.0,
+CCOC(=O)Nc1cccc(Nc2ccccc2)c1,0,0.0,
+CCOC(=O)Nc1cccc(OCC(=O)Nc2ccc(OC)cc2OC)c1,0,0.0,
+CCOC(=O)Nc1cccc(OCC(=O)Nc2ccccc2OC)c1,0,0.0,
+CCOC(=O)Nc1cccc2ccccc12,0,0.0,
+CCOC(=O)Nc1ccccc1N1C(=O)c2ccccc2C1=O,0,0.0,
+CCOC(=O)Nc1nc(C)c(C(=O)N(C)C)s1,0,0.0,
+CCOC(=O)Nc1nnc(-c2ccc(OC)c(OC)c2)s1,0,0.0,
+CCOC(=O)Nc1nnc(-c2cccc(OC)c2)s1,0,0.0,
+CCOC(=O)Nc1nnc(-c2ccccc2OC)s1,0,0.0,
+CCOC(=O)Nc1nnc(CCc2ccccc2)s1,0,0.0,
+CCOC(=O)Nc1oc2ccccc2c(=O)c1CN1CCOCC1,0,0.0,
+CCOC(=O)Nc1sc(=S)n(C)c1C,0,0.0,
+CCOC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC,0,0.0,
+CCOC(=O)Nc1sc(C)nc1-c1ccccc1,0,0.0,
+CCOC(=O)Nc1sc(NS(=O)(=O)c2ccccc2)nc1C,0,0.0,
+CCOC(=O)Nc1sc2c(c1C#N)CCC(C)C2,0,0.0,
+CCOC(=O)Nc1sc2c(c1C(=O)OCC)CCC2,0,0.0,
+CCOC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)OCC,0,0.0,
+CCOC(=O)Oc1ccc2oc(C)c(C(=O)OCCOC)c2c1,0,0.0,
+CCOC(=O)SC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)S1,0,0.0,
+CCOC(=O)[C@@H]1CCNC[C@@H]1c1ccccc1,0,0.0,
+CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@@H](C(N)=O)[C@@H]1c1cccc(Cl)c1,0,0.0,
+CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O,0,0.0,
+CCOC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1,0,0.0,
+CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(C(C)=O)=CN2[C@@H](C(N)=O)[C@@H]1c1ccsc1,0,0.0,
+CCOC(=O)c1[nH]c(=O)[nH]c1COC(=O)c1cc2ccccc2o1,0,0.0,
+CCOC(=O)c1[nH]c(=O)[nH]c1CSCCO,0,0.0,
+CCOC(=O)c1[nH]c(=O)[nH]c1CSc1ccccn1,0,0.0,
+CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(C)n1,0,0.0,
+CCOC(=O)c1[nH]c(=O)c2ccccc2c1O,0,0.0,
+CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2cccnc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(CC)CC)C2c2cccnc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2cccnc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCn3ccnc3)C2c2ccncc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc(C)o2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccco2)c1C,1,100.0,
+CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccncc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(/C=N/O)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)N(C)C)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2ccccc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)N(CC)CC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC3(CC2)OCCO3)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccccc3)CC2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)N2CCOCC2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)N2CCc3ccccc32)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NC(C)(C)C)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NC(C)CC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCCC2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCCCC2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCCCCC2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCN(C(=O)OCC)CC2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NCC2CCCO2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NCCCN2CCOCC2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NCCCOC(C)C)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NCCN2CCOCC2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NCCc2ccc(OC)cc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccc(C)cc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccc(Cl)cc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccc(OC)cc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccccn2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)NCc2cccnc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc(Cl)ccc2C)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc(OC)ccc2OC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)c(C)c2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)c(F)c2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)cc2C)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Cl)cc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(F)cc2)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc3c(c2)CCC3)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc3c(c2)OCCO3)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cccc(Cl)c2C)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccccc2C)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccccc2F)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCCCC2C)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)OCc2c(C)noc2C)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C(=O)c2cc(F)ccc2F)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(C)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(CCC(=O)OC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(CN(CCc2ccc(OC)c(OC)c2)C(=O)CCCC(=O)O)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)CCC(=O)O)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)S(C)(=O)=O)c1C,0,0.0,
+CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)C(F)(F)F)c1C,0,0.0,
+CCOC(=O)c1[nH]c(COC(=O)C2CC(=O)N(Cc3ccccc3)C2)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(COC(=O)CCCOc2ccccc2)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(COC(=O)c2ccccc2NC(=O)c2ccco2)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(CSc2nnc(-c3ccc(OC)cc3)o2)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(CSc2nnc(-c3ccncc3)n2CCOC)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(CSc2nnnn2-c2ccccc2C)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1[nH]c(Cc2[nH]c(C(=O)OCC)c(C)c2CCC(=O)OC)c(CCC(=O)OC)c1C,0,0.0,
+CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(F)cc1)C2,0,0.0,
+CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2,0,0.0,
+CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(OC)c(OC)c1)C2,0,0.0,
+CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(OCC)c(OC)c1)C2,0,0.0,
+CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,0,0.0,
+CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C(C)N1CCN(Cc2ccccc2)CC1,1,100.0,
+CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN(C)C1CCCCC1,0,0.0,
+CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCN(C)CC1,0,0.0,
+CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1nonc1C,0,0.0,
+CCOC(=O)c1[nH]c2cc3c(cc2c1CCCN1C(=O)c2ccccc2C1=O)OCCO3,0,0.0,
+CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CC(C)CC(C)C1)OCO3,0,0.0,
+CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCC(C)CC1)OCO3,0,0.0,
+CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCC2(CC1)OCCO2)OCO3,0,0.0,
+CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCCCC1C)OCO3,0,0.0,
+CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCc2ccccc2C1)OCO3,0,0.0,
+CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCC(C(=O)OCC)CC1,1,100.0,1.0
+CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCCCC1,1,100.0,1.0
+CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCN(C(=O)OCC)CC1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CNC,0,0.0,
+CCOC(=O)c1[nH]c2ccc(C)cc2c1N,0,0.0,
+CCOC(=O)c1[nH]c2ccc(C)cc2c1N=C(C)N(C)C,0,0.0,
+CCOC(=O)c1[nH]c2ccc(C)cc2c1N=CN(CC)CC,0,0.0,
+CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCCC1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(F)cc2c1N=C(C)N(CC)CC,0,0.0,
+CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C(C)N1CCc2cc(OC)c(OC)cc2C1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C1=COCCO1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCSCC1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1C,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1N=CN(C)C,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C(C)N1CCC2(CC1)OCCO2,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCC(C)CC1,1,100.0,1.0
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCCC(C)C1,1,100.0,1.0
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCN(Cc2ccccc2)CC1,1,100.0,1.0
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCc2ccccc2C1,1,100.0,1.0
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCC2(CC1)OCCO2,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(c2ccccn2)CC1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCSCC1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)N1CCOCC1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)OC,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1nonc1C,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(C)=O,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCC2(CC1)OCCO2,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCCC(C)C1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCN(c2ccccc2)CC1,0,0.0,
+CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCN(c2ccccn2)CC1,1,100.0,0.0
+CCOC(=O)c1[nH]c2ccccc2c1N=C(C)N(CC)CC,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1N=CN(CC)CC,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C(C)(C)C,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C(CC)CC,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C1CCCC1,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C1CCCCC1,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC(C)(C)C,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC(C)C,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(C(=O)OCC)CC1,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CN(C)C,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCCC1,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)COC,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(Br)o1,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccco1,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1nonc1C,0,0.0,
+CCOC(=O)c1[nH]c2ccccc2c1NC(C)=O,0,0.0,
+CCOC(=O)c1[nH]cc(-c2ccccc2)c1N1CCOCC1,0,0.0,
+CCOC(=O)c1[nH]cnc1C(=O)NC1CCCCC1,0,0.0,
+CCOC(=O)c1[nH]cnc1C(=O)Nc1cccc(N)n1,0,0.0,
+CCOC(=O)c1[nH]cnc1C(=O)Nc1ccccn1,0,0.0,
+CCOC(=O)c1[nH]cnc1C(=O)Nc1ccncc1,0,0.0,
+CCOC(=O)c1[nH]cnc1C(=O)O,0,0.0,
+CCOC(=O)c1[nH]nc(-c2c(O)cc(C)cc2O)c1-c1csc(C)n1,0,0.0,
+CCOC(=O)c1[nH]nc(C(=O)c2ccc(Br)cc2)c1O,0,0.0,
+CCOC(=O)c1[nH]nc(N)c1NC(=O)c1ccc(Cl)cc1Cl,0,0.0,
+CCOC(=O)c1[nH]nc2c1C(=O)N(CC)C2=O,0,0.0,
+CCOC(=O)c1[nH]nc2c1C(=O)N(Cc1ccccc1)C2=O,0,0.0,
+CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CSc1nnnn1C,1,100.0,0.0
+CCOC(=O)c1c(-c2ccc(C)o2)csc1N,0,0.0,
+CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCN(CC)CC1,0,0.0,
+CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)c1cccs1,0,0.0,
+CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nnc(C)s1,0,0.0,
+CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nncs1,0,0.0,
+CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nnnn1-c1ccccc1,0,0.0,
+CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)c1ccco1,0,0.0,
+CCOC(=O)c1c(-c2ccc(OC)cc2)nc2nonc2c1N,0,0.0,
+CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)N(C)C)cc12,0,0.0,
+CCOC(=O)c1c(-c2cccc(OC)c2)nn2c(C)c(CCC(=O)O)c(C)nc12,0,0.0,
+CCOC(=O)c1c(-c2cccc(OC)c2)nn2c(C)cc(C)nc12,0,0.0,
+CCOC(=O)c1c(-c2ccccc2)[nH]c2ccc(O)cc12,0,0.0,
+CCOC(=O)c1c(-c2ccccc2)c(C(C)=O)c(=O)n(C)c1C,0,0.0,
+CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nnnn1C,0,0.0,
+CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1nn(CC)cc1Br,0,0.0,
+CCOC(=O)c1c(-c2ccccc2)nnn1-c1nc(OCC)nc(N2CCCCC2)n1,0,0.0,
+CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCOCC3)c12,0,0.0,
+CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)N(C)C)cc12,0,0.0,
+CCOC(=O)c1c(-c2ccco2)csc1N,0,0.0,
+CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CCCC(=O)O,0,0.0,
+CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CC(C)OC(C)C1,0,0.0,
+CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCOCC1,0,0.0,
+CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1c(C)noc1C,0,0.0,
+CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CSc1ncn[nH]1,1,100.0,0.0
+CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccco1,0,0.0,
+CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccncc1,0,0.0,
+CCOC(=O)c1c(-c2ccncc2)csc1N,0,0.0,
+CCOC(=O)c1c(-c2ccsc2)csc1N,0,0.0,
+CCOC(=O)c1c(-n2cnnn2)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(/N=C/N(C)C)sc(C(=O)OC)c1C,0,0.0,
+CCOC(=O)c1c(=O)n(O)c2ccc(C)cc2[n+]1[O-],0,0.0,
+CCOC(=O)c1c(C#N)c(SCC(=O)Nc2ccc(OC)cc2)nc2c1CN(CC)CC2,0,0.0,
+CCOC(=O)c1c(C(=O)OCC)c(C)n(N2C(=O)CSC2=S)c1C,0,0.0,
+CCOC(=O)c1c(C(C#N)C#N)cc(C)nc1C,0,0.0,
+CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCC#N)cc12,0,0.0,
+CCOC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(/C(C)=N/O)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)C(C)OC(=O)c2cccc(OCc3c(C)noc3C)c2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(CC)(c3ccccc3)C2=O)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)CN2CC(C)OC(C)C2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCOCC2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2CC2C)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CSCC(=O)N(CC)CC)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccncc2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cnc(C)cn2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3ccc(OC)cc3c2C)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc3c(c2)OCO3)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ccccc2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3o2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CC(C)c3ccccc3)o2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2-c2ccc(C)cc2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2-c2ccccc2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)Cn2c(=O)c3c(ncn3CC)n(Cc3ccccc3)c2=O)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)Cn2c(=O)oc3ccccc32)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccccc3)n2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccccc3Cl)n2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2OC)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)OCO3)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)O)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)OC)c1CCC(=O)OC,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CC(C)OC(C)C2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCc3ccccc32)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2c3ccccc3CC2C)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(C)ccc2OC)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(=O)OCc2c(C)noc2C)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C(C)=O)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1-c1ccccc1OC,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)NC(CC(C)C)C1=O,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C1CCCN1S(=O)(=O)c1ccccc1F,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCOc1ccccc1OC,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CNC(=O)c1ccc(OCC)cc1,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(N)cc(N)n1,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2ccncc2)n1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnnn1-c1ccccc1,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1nnc(-c2ccccc2C)n1,0,0.0,
+CCOC(=O)c1c(C)[nH]c(C=Nc2ccccc2)c1O,0,0.0,
+CCOC(=O)c1c(C)[nH]c(NC(=O)N2CCOCC2)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C,0,0.0,
+CCOC(=O)c1c(C)[nH]c2cc(Br)c(O)cc12,0,0.0,
+CCOC(=O)c1c(C)[nH]c2cc(Br)c(OC)cc12,0,0.0,
+CCOC(=O)c1c(C)[nH]c2ccc(O)cc12,0,0.0,
+CCOC(=O)c1c(C)[nH]sc1=S,0,0.0,
+CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N2CCCC2)c1C,0,0.0,
+CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N2CCN(C)CC2)c1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)N(C)C2CCCCC2)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)N2CCC3(CC2)OCCO3)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)N2CCCCCC2)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)N2CCCCCC2)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)N2CCc3ccccc3C2)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NC(C)COC)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NC(C)COC)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NC2CCCCCC2)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCC2CCCO2)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCC2CCCO2)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCCCN2CCCC2=O)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCCCOC(C)C)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCCCOC)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCCN2CCOCC2)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCCN2CCOCC2)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCCOC)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCc2ccccc2OC)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCc2ccccn2)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCc2ccccn2)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCc2cccnc2)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCc2cccnc2)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCc2ccco2)c(C)n1Cc1ccccc1,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCc2cccs2)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)NCc2cccs2)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)Nc2cc(F)ccc2F)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)Nc2cc(OC)ccc2OC)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)Nc2ccc(N(C)C)cc2)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)Nc2ccc3c(c2)OCO3)c(C)n1C,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)c(C)n1CC,0,0.0,
+CCOC(=O)c1c(C)c(C(=O)O)n(C)c1C,0,0.0,
+CCOC(=O)c1c(C)c(P(=S)(N2CCOCC2)N2CCOCC2)n(C)c1C,0,0.0,
+CCOC(=O)c1c(C)c2c(n1C)CCC/C2=N\O,0,0.0,
+CCOC(=O)c1c(C)cccc1OCC(N)=O,0,0.0,
+CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1,0,0.0,
+CCOC(=O)c1c(C)n(C)c2c(C)cc(O)c(OC(=O)CC)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2c(C)cc(O)c(OC(C)=O)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2cc(Br)c(C(=O)OC)cc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2cc(OCCN(CC)CC)ccc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN(C)C)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCC(C)CC3)c12,1,100.0,0.0
+CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCCCC3)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCN(C)CC3)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(O)c(S(=O)(=O)c3ccccc3)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccoc3)cc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OC(C)C(=O)OC)cc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CCN3CCSCC3)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCC4(CC3)OCCO4)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCCC3)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCN(Cc4ccccc4)CC3)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCSCC3)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)c3cccs3)c12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OCC(N)=O)cc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CN(CC)CC)cc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CN3C(=O)c4ccccc4S3(=O)=O)cc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CN3CCC(C)CC3)cc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CN3CCCCCC3)cc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CN3CCN(C)CC3)cc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CNC(CC)CO)cc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3c(C)nc4ccccc43)cc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)c(Br)c3C)cc12,0,0.0,
+CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)cc3C)cc12,0,0.0,
+CCOC(=O)c1c(C)n(CC(COC(C)=O)OC(C)=O)c2ccc(OC(C)=O)cc12,0,0.0,
+CCOC(=O)c1c(C)n(CC(O)c2ccccc2)c2ccc(O)cc12,0,0.0,
+CCOC(=O)c1c(C)n(CCN2CCN(C)CC2)c2ccc(OC)cc12,0,0.0,
+CCOC(=O)c1c(C)n(CCO)c2ccc(O)cc12,0,0.0,
+CCOC(=O)c1c(C)n(CCOC)c2ccc(O)cc12,0,0.0,
+CCOC(=O)c1c(C)n(COCCO)c2ccc(O)cc12,0,0.0,
+CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CN3C(=O)CNC3=O)cc12,0,0.0,
+CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)Cn3nc(C)nc3C)cc12,0,0.0,
+CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12,0,0.0,
+CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(OC)cc12,0,0.0,
+CCOC(=O)c1c(C)n(O)c2ccc(Cl)cc2c1=O,0,0.0,
+CCOC(=O)c1c(C)n(OCc2ccccc2)c2ccc3c(no[n+]3[O-])c12,0,0.0,
+CCOC(=O)c1c(C)n(OCc2ccccc2)c2ccc3nonc3c12,0,0.0,
+CCOC(=O)c1c(C)nc(-c2ccccc2)nc1N,0,0.0,
+CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)C(C)C,0,0.0,
+CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)CC,0,0.0,
+CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(C)=O,0,0.0,
+CCOC(=O)c1c(C)nc2c(C#N)cnn2c1C,0,0.0,
+CCOC(=O)c1c(C)nc2c3ccccc3ccn12,0,0.0,
+CCOC(=O)c1c(C)nc2cc(C)ccn12,0,0.0,
+CCOC(=O)c1c(C)nc2ccccn12,0,0.0,
+CCOC(=O)c1c(C)nc2ncccn12,0,0.0,
+CCOC(=O)c1c(C)nc2sccn12,0,0.0,
+CCOC(=O)c1c(C)nn(Cc2cccc(Cl)c2)c1N,0,0.0,
+CCOC(=O)c1c(C)nn(Cc2ccccc2)c1N,0,0.0,
+CCOC(=O)c1c(C)oc(/N=C/c2ccccc2O)c1C#N,0,0.0,
+CCOC(=O)c1c(C)oc(NC(=O)COc2ccc(Cl)cc2C)c1C#N,0,0.0,
+CCOC(=O)c1c(C)oc2c(CN3CCN(C)CC3)c(Br)c(OC)c(O)c12,0,0.0,
+CCOC(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c2c1=O,0,0.0,
+CCOC(=O)c1c(C)oc2c1c(/C=N/c1ccccn1)c(O)c1ccccc12,0,0.0,
+CCOC(=O)c1c(C)oc2c1c(C(c1cccnc1)N1CCN(C)CC1)c(O)c1ccccc12,0,0.0,
+CCOC(=O)c1c(C)oc2c1c(C(c1ccncc1)N1CCOCC1)c(O)c1ccccc12,0,0.0,
+CCOC(=O)c1c(C)oc2c1c(C=NC1CCS(=O)(=O)C1)c(O)c1ccccc12,0,0.0,
+CCOC(=O)c1c(C)oc2c1c(C=NCC1CCCO1)c(O)c1ccccc12,0,0.0,
+CCOC(=O)c1c(C)oc2c1c(C=NCc1ccccn1)c(O)c1ccccc12,0,0.0,
+CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(Cc2cccnc2)C1,0,0.0,
+CCOC(=O)c1c(C)oc2c1cc(O)c1ccccc12,0,0.0,
+CCOC(=O)c1c(C)oc2cc(Br)c(O)c(Br)c12,0,0.0,
+CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)N3CCOCC3)cc12,0,0.0,
+CCOC(=O)c1c(C)oc2cc(Br)c(OC(C)C(=O)OCC)cc12,0,0.0,
+CCOC(=O)c1c(C)oc2cc(Br)c(OC)cc12,0,0.0,
+CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)cc12,0,0.0,
+CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12,1,100.0,0.0
+CCOC(=O)c1c(C)oc2ccc(O)c(CN3CCCCC3)c12,0,0.0,
+CCOC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12,0,0.0,
+CCOC(=O)c1c(C)oc2ccc(OCC(=O)C(C)(C)C)cc12,0,0.0,
+CCOC(=O)c1c(C)oc2ccc(OCC(=O)N(CC)CC)cc12,0,0.0,
+CCOC(=O)c1c(C)oc2ccc(OCC(N)=O)cc12,0,0.0,
+CCOC(=O)c1c(C2CC2)csc1NC(=O)CSCc1c(C)noc1C,0,0.0,
+CCOC(=O)c1c(C2CC2)csc1NC(C)=O,0,0.0,
+CCOC(=O)c1c(C2CCN(C(=O)OCC)CC2)nc2ccccn12,0,0.0,
+CCOC(=O)c1c(C2COc3ccccc3O2)csc1N,0,0.0,
+CCOC(=O)c1c(C2COc3ccccc3O2)csc1NC(=O)c1ccco1,0,0.0,
+CCOC(=O)c1c(CC(C)C)csc1NC(C)=O,0,0.0,
+CCOC(=O)c1c(CC(C)C)csc1NC=O,0,0.0,
+CCOC(=O)c1c(CN(C)C)n(C)c2ccc(OC(C)=O)cc12,0,0.0,
+CCOC(=O)c1c(CN(C)C)oc2cc(CN(C)C)c(O)c(CSc3ccccc3)c12,0,0.0,
+CCOC(=O)c1c(CN(CC)CC)oc2cc(Br)c(O)cc12,1,100.0,0.0
+CCOC(=O)c1c(CN2CCC(C)CC2)oc2ccc(OC)cc12,0,0.0,
+CCOC(=O)c1c(CN2CCCCC2)n(C)c2cc(Br)c(O)c(CN(C)C)c12,0,0.0,
+CCOC(=O)c1c(CN2CCCCC2)n(C)c2cc(Br)c(OC)cc12,0,0.0,
+CCOC(=O)c1c(CN2CCCCC2)n(C)c2ccc(OC)c(S(=O)(=O)c3ccccc3)c12,0,0.0,
+CCOC(=O)c1c(CN2CCCCC2)oc2ccc(O)cc12,0,0.0,
+CCOC(=O)c1c(CN2CCCCC2)oc2ccc(OC)cc12,0,0.0,
+CCOC(=O)c1c(CN2CCCCC2C)oc2ccc(OC)cc12,0,0.0,
+CCOC(=O)c1c(CN2CCN(C)CC2)n(C)c2cc(Br)c(OC)cc12,0,0.0,
+CCOC(=O)c1c(CN2CCN(C)CC2)oc2ccc(O)cc12,0,0.0,
+CCOC(=O)c1c(CN2CCN(C)CC2)oc2ccc(OC)cc12,0,0.0,
+CCOC(=O)c1c(CN2CCN(CCO)CC2)n(C)c2cc(Br)c(OC)cc12,0,0.0,
+CCOC(=O)c1c(CN2CCN(c3ccccc3)CC2)oc2ccc(O)cc12,0,0.0,
+CCOC(=O)c1c(CN2CCOCC2)n(-c2ccccc2)c2ccc(O)cc12,0,0.0,
+CCOC(=O)c1c(CN2CCOCC2)n(C)c2cc(Br)c(O)c(CN(C)C)c12,0,0.0,
+CCOC(=O)c1c(CN2CCOCC2)oc2ccc(OC)cc12,0,0.0,
+CCOC(=O)c1c(CNCCN(CC)CC)n(C)c2cc(Br)c(OC)cc12,0,0.0,
+CCOC(=O)c1c(COC(=O)c2ccco2)nc2ccccc2[n+]1[O-],0,0.0,
+CCOC(=O)c1c(COc2ccccc2)oc2ccc(O)cc12,0,0.0,
+CCOC(=O)c1c(N)c(C#N)c2n1CCCCC2,0,0.0,
+CCOC(=O)c1c(N)c(C#N)cn1-c1ccccc1,0,0.0,
+CCOC(=O)c1c(N)c(C#N)nn1-c1ccccc1C(=O)OC,0,0.0,
+CCOC(=O)c1c(N)n(CCCOC(=O)c2ccco2)c2nc3ccccc3nc12,0,0.0,
+CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12,0,0.0,
+CCOC(=O)c1c(N)n(CCOC(=O)c2cccs2)c2nc3ccccc3nc12,0,0.0,
+CCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12,0,0.0,
+CCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12,0,0.0,
+CCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,0,0.0,
+CCOC(=O)c1c(N)n[nH]c1-c1ccc(OC)cc1,0,0.0,
+CCOC(=O)c1c(N)nn(C(=O)C(C)(C)C)c1-c1ccccc1,0,0.0,
+CCOC(=O)c1c(N)nn(C(=O)C(C)C)c1-c1ccccc1,0,0.0,
+CCOC(=O)c1c(N)nn(C(=O)CC)c1-c1ccccc1,0,0.0,
+CCOC(=O)c1c(N)nn(C(C)=O)c1-c1ccccc1,0,0.0,
+CCOC(=O)c1c(N)sc(=S)c2c1CCC2,0,0.0,
+CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C,0,0.0,
+CCOC(=O)c1c(N)sc(C(=O)N2CCCC(C(N)=O)C2)c1C,0,0.0,
+CCOC(=O)c1c(N)sc(C(=O)N2CCCC2)c1C,0,0.0,
+CCOC(=O)c1c(N)sc(C(=O)N2CCCCCC2)c1C,0,0.0,
+CCOC(=O)c1c(N)sc(C(=O)N2CCOCC2)c1C,0,0.0,
+CCOC(=O)c1c(N)sc(C(=O)Nc2ccc3c(c2)OCO3)c1C,0,0.0,
+CCOC(=O)c1c(N)sc(C(O)(C(F)(F)F)C(F)(F)F)c1-c1ccc(OC)cc1OC,0,0.0,
+CCOC(=O)c1c(N)sc2c(NC(C)=O)cccc12,0,0.0,
+CCOC(=O)c1c(N)sc2c(O)c(Br)ccc12,0,0.0,
+CCOC(=O)c1c(N)sc2c(OC)c(Br)ccc12,0,0.0,
+CCOC(=O)c1c(N)sc2c1C1CCN2CC1,0,0.0,
+CCOC(=O)c1c(N)sc2c1CCC(C)C2,0,0.0,
+CCOC(=O)c1c(N)sc2c1CCC1C(=O)N(C3CCCCC3)C(=O)C21,0,0.0,
+CCOC(=O)c1c(N)sc2c1CCCC2,0,0.0,
+CCOC(=O)c1c(N)sc2c1CCS(=O)(=O)C2,0,0.0,
+CCOC(=O)c1c(N)sn(-c2ccccc2)c1=S,0,0.0,
+CCOC(=O)c1c(N)sn(-c2ccccc2C)c1=S,0,0.0,
+CCOC(=O)c1c(N)ssc1=S,0,0.0,
+CCOC(=O)c1c(N2C(=O)C3C4C=CC(O4)C3C2=O)sc2c1CCCC2,0,0.0,
+CCOC(=O)c1c(N=CN(C)C)c(C#N)n2c1CCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)C(F)(OC)C(F)(F)F)sc(C(=O)N2CCCCC2)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)C(F)(OC)C(F)(F)F)sc2c1CCN(C)C2,0,0.0,
+CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CC)sc(C(C)=O)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CCC(=O)NCc2ccco2)sc2c1CCCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)CCN2CCOCC2)sc2c1CC(C)(C)OC2,0,0.0,
+CCOC(=O)c1c(NC(=O)CN(CC)CC)sc2c1CCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCCC2O,0,0.0,
+CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCN(C(=O)OCC)C2,0,0.0,
+CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccn3)CC2)sc2c1CCCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CC(C)(C)OC2,0,0.0,
+CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2=O,0,0.0,
+CCOC(=O)c1c(NC(=O)CNCC(O)CO)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CNCCO)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)COC(=O)Cn2cnc3ccccc32)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)COC(=O)c2c(C)noc2C)sc2c1CCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)COC)sc(C(C)=O)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)COC)sc2c1CCCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)COc2ncnc3sccc23)sc2c1CCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2n[nH]c(-c3ccco3)n2)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc(CC)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(C)c2C#N)sc(C(C)=O)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nc3cccnc3n2C)sc(C(C)=O)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)sc2c1CCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3)n2CC)sc(C(C)=O)c1C,1,100.0,0.0
+CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3C)n2C)sc(C(C)=O)c1C,1,100.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)o2)sc(C(C)=O)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)o2)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)o2)sc(C(C)=O)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(C)c(=O)[nH]2)sc2c1CCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(C)s2)sc2c1CCN(C)C2,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(CN3CCOCC3)n2C)sc2c1CCCC2,1,100.0,0.0
+CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)sc2c1CCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)sc(C(C)=O)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnc(Cc3csc(N)n3)n2C)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc(C)c1-c1ccc(C)cc1,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc(CC)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)CSc2nnnn2CC)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)N2CCCCC2)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)Cn2c(=O)oc3ccccc32)oc(C)c1C(C)=O,0,0.0,
+CCOC(=O)c1c(NC(=O)Cn2c(C)nc3ccccc32)sc2c1CCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccccc3)n2)sc(C(C)=O)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)Cn2nnc3ccccc32)sc2c1CCC(C)C2,0,0.0,
+CCOC(=O)c1c(NC(=O)OC)sc(C(=O)N(C)C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)OC)sc(C(=O)N(CC)CC)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)OC)sc2c1CCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)c2cc(C3CC3)on2)sc(C(C)=O)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)c2cc(C3CC3)on2)sc2c1CCCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C)c1CC,0,0.0,
+CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CCCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C)C2,0,0.0,
+CCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N2CCCC2)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)N2CCOCC2)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)(C)OC2,0,0.0,
+CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCN(C(=O)OCC)C2,0,0.0,
+CCOC(=O)c1c(NC(=O)c2ccn(CC)n2)sc2c1CCCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)c2csc(C)c2)sc(C(C)=O)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)c2nc3n(n2)C(C(F)F)CC(C)N3)sc2c1CCCC2,1,100.0,0.0
+CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)c(C#N)cn1-c1ccccc1,0,0.0,
+CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)c(C#N)nn1-c1ccccc1,0,0.0,
+CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)sc2c1CCCCC2,0,0.0,
+CCOC(=O)c1c(NC(=O)c2noc3c2CCCC3)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NC(=O)c2noc3c2CCCC3)sc2c1CCCC2,0,0.0,
+CCOC(=O)c1c(NC(C)=O)no[n+]1[O-],0,0.0,
+CCOC(=O)c1c(NC(C)=O)sc2c(O)c(CN3CCN(CC)CC3)ccc12,0,0.0,
+CCOC(=O)c1c(NC(C)=O)sc2c(O)cccc12,0,0.0,
+CCOC(=O)c1c(NC(C)=O)sc2c1CCCNC2=O,0,0.0,
+CCOC(=O)c1c(NC(N)=O)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(NCc2ccc3c(c2)OCO3)c2ccccc2[nH]c1=O,0,0.0,
+CCOC(=O)c1c(NS(=O)(=O)c2cccc(OC)c2)sc2c1CCC2,0,0.0,
+CCOC(=O)c1c(NS(C)(=O)=O)sc2c1CCC(C)C2,0,0.0,
+CCOC(=O)c1c(Nc2ccccc2N)cc(C)nc1C,0,0.0,
+CCOC(=O)c1c(Nc2nc(C)c(C(=O)NC)s2)sc(C)c1C,0,0.0,
+CCOC(=O)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2,0,0.0,
+CCOC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O,0,0.0,
+CCOC(=O)c1c(OCC)[nH]c2c1cc(O)c1ccccc12,0,0.0,
+CCOC(=O)c1c(P(=O)(N2CCOCC2)N2CCOCC2)noc1N,0,0.0,
+CCOC(=O)c1c(SC)nc(SC)c2c1CCC2,0,0.0,
+CCOC(=O)c1c2c(c(=S)n(-c3ccccc3)c1N)CCC2,0,0.0,
+CCOC(=O)c1c2n(c3c(NCc4ccccc4)ncnc13)CCCC2,0,0.0,
+CCOC(=O)c1c2n(c3ccc(O)cc13)CCC2,0,0.0,
+CCOC(=O)c1c2n(c3ccc(O)cc13)CCCCC2,0,0.0,
+CCOC(=O)c1c[nH]c2c(Cl)ccc(Cl)c2c1=O,0,0.0,
+CCOC(=O)c1cc(-c2cc3ccccc3o2)n[nH]1,0,0.0,
+CCOC(=O)c1cc(-c2cc3ccccc3o2)nc2c1c(=O)[nH]c(=O)n2CCOC,0,0.0,
+CCOC(=O)c1cc(-c2ccc(/C=N\n3cnnc3)o2)ccc1Cl,0,0.0,
+CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)NCc2ccco2)c1C,0,0.0,
+CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)NCCN(C)C)c1C,0,0.0,
+CCOC(=O)c1cc(-c2ccc(C)o2)nn1CCC#N,0,0.0,
+CCOC(=O)c1cc(-c2ccc(Cl)s2)nc2c1c(C)nn2C,0,0.0,
+CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N2CCCC2)c1C,0,0.0,
+CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)Nc2nccs2)c1C,0,0.0,
+CCOC(=O)c1cc(-c2ccc(N)cc2)sc1N,0,0.0,
+CCOC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1c(C)nn2CCC#N,0,0.0,
+CCOC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c12,0,0.0,
+CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCCC2)c1C,0,0.0,
+CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)O)c1C,0,0.0,
+CCOC(=O)c1cc(-c2ccccc2)n(CCCC(=O)O)c1C,0,0.0,
+CCOC(=O)c1cc(-c2ccccc2)sc1N,0,0.0,
+CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C)Sc1nnnn1C,0,0.0,
+CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nnnn1C,0,0.0,
+CCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccn1,0,0.0,
+CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1ccccc1,0,0.0,
+CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2CCC#N,1,100.0,
+CCOC(=O)c1cc(-c2cccs2)nc2onc(C)c12,0,0.0,
+CCOC(=O)c1cc(-c2cccs2)nn1CCC#N,0,0.0,
+CCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2-c1ccccn1,0,0.0,
+CCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2C,0,0.0,
+CCOC(=O)c1cc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c(C)nc1C,0,0.0,
+CCOC(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)c(C)nc1C,0,0.0,
+CCOC(=O)c1cc(-c2nnc(-c3ccc(Oc4ccccc4)cc3)o2)c(C)nc1C,0,0.0,
+CCOC(=O)c1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c(C)nc1C,0,0.0,
+CCOC(=O)c1cc(=O)cc(C(=O)OCC)o1,0,0.0,
+CCOC(=O)c1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1,0,0.0,
+CCOC(=O)c1cc(=O)n2nc(-c3ccc(C)cc3)nc2s1,0,0.0,
+CCOC(=O)c1cc(=O)n2nc(-c3ccccc3F)nc2s1,0,0.0,
+CCOC(=O)c1cc(C#N)c(N)nc1C,0,0.0,
+CCOC(=O)c1cc(C#N)c(NCc2ccccc2)nc1C,0,0.0,
+CCOC(=O)c1cc(C#N)c(SCC(=O)c2cc(C#N)c(SC)nc2C)[nH]c1=O,0,0.0,
+CCOC(=O)c1cc(C#N)c(SCC(=O)c2cc(C#N)c(SC)nc2C)nc1C,0,0.0,
+CCOC(=O)c1cc(C#N)c(SCc2ccc(C#N)cc2)nc1C,0,0.0,
+CCOC(=O)c1cc(C(=O)OCC)c2cc(Br)ccc2n1,0,0.0,
+CCOC(=O)c1cc(C(=O)OCC)cc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)c1,0,0.0,
+CCOC(=O)c1cc(C(=O)c2cc(F)ccc2O)coc1=N,0,0.0,
+CCOC(=O)c1cc(C(C)(C)C)oc1CN,0,0.0,
+CCOC(=O)c1cc(C(C)=O)c(=O)n(C)c1N,0,0.0,
+CCOC(=O)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c(/N=C/N(C)C)o1,0,0.0,
+CCOC(=O)c1cc(C)[nH]c(=S)c1C#N,0,0.0,
+CCOC(=O)c1cc(C)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1C,1,100.0,1.0
+CCOC(=O)c1cc(C)n(-c2ccc(OC)c(OC)c2)c1C,0,0.0,
+CCOC(=O)c1cc(C)n(-n2cnnc2)c1C,0,0.0,
+CCOC(=O)c1cc(C)n(CCCN2CCOCC2)c1C,1,100.0,1.0
+CCOC(=O)c1cc(C)n(CCc2ccccc2)c1C,0,0.0,
+CCOC(=O)c1cc(C)n(CCc2cnc[nH]2)c1C,0,0.0,
+CCOC(=O)c1cc(C)n(Cc2cccc(OC)c2OC)c1C,0,0.0,
+CCOC(=O)c1cc(C)n(Cc2ccccc2)c1C,0,0.0,
+CCOC(=O)c1cc(C)n(S(=O)(=O)c2ccc(C)cc2)c1C,0,0.0,
+CCOC(=O)c1cc(C)sc1N1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+CCOC(=O)c1cc(C)sc1NC(=O)C1CCC1,0,0.0,
+CCOC(=O)c1cc(CC)sc1N,0,0.0,
+CCOC(=O)c1cc(CC)sc1NC(=O)C1CC1,0,0.0,
+CCOC(=O)c1cc(CC)sc1NC(=O)CCC(=O)O,0,0.0,
+CCOC(=O)c1cc(CC)sc1NC(=O)COC,0,0.0,
+CCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccsc1,0,0.0,
+CCOC(=O)c1cc(CN2CCOCC2)oc1-c1ccccc1,0,0.0,
+CCOC(=O)c1cc(CNC(=O)c2c(C)oc3c2CCCC3)c(C)o1,0,0.0,
+CCOC(=O)c1cc(NC(=O)C2CCCO2)cc(C(=O)OCC)c1,0,0.0,
+CCOC(=O)c1cc(NC(=O)CSCCO)ccc1Cl,0,0.0,
+CCOC(=O)c1cc(NC(=O)N2CCCCC2)c(C)nc1C,0,0.0,
+CCOC(=O)c1cc(NC(=O)N2CCCc3ccccc32)c(C)nc1C,0,0.0,
+CCOC(=O)c1cc(NC(=O)N2CCOCC2)c(C)nc1C,0,0.0,
+CCOC(=O)c1cc(NC(=O)NCc2ccco2)c(C)nc1C,0,0.0,
+CCOC(=O)c1cc(NC(=O)Nc2ccc(OC)c(OC)c2)c(C)nc1C,0,0.0,
+CCOC(=O)c1cc(NC(=O)OC)c(C)nc1C,0,0.0,
+CCOC(=O)c1cc(NC(=O)SCC(=O)O)c(C)nc1C,0,0.0,
+CCOC(=O)c1cc(NC(=O)c2c(C)noc2C)cc(C(=O)OCC)c1,0,0.0,
+CCOC(=O)c1cc(NC(=O)c2cc(C)on2)cc(C(=O)OCC)c1,0,0.0,
+CCOC(=O)c1cc(NC(=O)c2cccnc2)cc(C(=O)OCC)c1,0,0.0,
+CCOC(=O)c1cc(NC(=O)c2ccoc2C)cc(C(=O)OCC)c1,0,0.0,
+CCOC(=O)c1cc(NC(=O)c2cnccn2)cc(C(=O)OCC)c1,0,0.0,
+CCOC(=O)c1cc(OC(=O)c2cccnc2)n(-c2ccccc2)n1,0,0.0,
+CCOC(=O)c1cc(OC(=O)c2cccs2)n(-c2ccccc2)n1,0,0.0,
+CCOC(=O)c1cc(OCC(=O)NC(C)C(C)C)cc(C(=O)OCC)c1,0,0.0,
+CCOC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cn1C,0,0.0,
+CCOC(=O)c1cc(S(=O)(=O)NC2CCN(C(=O)OCC)CC2)cn1C,0,0.0,
+CCOC(=O)c1cc2c(=O)[nH]ccc2nc1C,0,0.0,
+CCOC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(Cc2cccnc2)c1=N,0,0.0,
+CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C)c1=N,0,0.0,
+CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC2CCCO2)c1=NC(C)=O,0,0.0,
+CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=NC(=O)c1cccnc1,0,0.0,
+CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)c1=NC(=O)c1ccncc1,0,0.0,
+CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccc(OC)c(OC)c2)c1=N,0,0.0,
+CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccccc2)c1=N,0,0.0,
+CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccccc2Cl)c1=N,0,0.0,
+CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2cccnc2)c1=N,0,0.0,
+CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=NC(=O)c1cccnc1,0,0.0,
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=NC(=O)c1ccncc1,0,0.0,
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)c1=NC(=O)c1ccco1,0,0.0,
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC2CCCO2)c1=NC(C)=O,0,0.0,
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(=O)C(C)(C)C,0,0.0,
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(=O)c1cccnc1,0,0.0,
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(C)=O,0,0.0,
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)c1=NC(=O)c1ccncc1,0,0.0,
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(Cl)cc2)c1=N,0,0.0,
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N,0,0.0,
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2Cl)c1=N,0,0.0,
+CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=NC(=O)c1cccnc1,0,0.0,
+CCOC(=O)c1cc2c(C(F)(F)F)cc(-c3cccnc3)nc2o1,0,0.0,
+CCOC(=O)c1cc2c(N)c(C(=O)c3cc(C#N)c(SC)nc3C)sc2nc1C,0,0.0,
+CCOC(=O)c1cc2c(c(CSc3nc4ccccc4c(=O)n3Cc3ccco3)c1)OCOC2,0,0.0,
+CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCC(Cc2ccccc2)CC1,0,0.0,
+CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(c2ccccc2OC)CC1,0,0.0,
+CCOC(=O)c1cc2c(ccn2C)n1Cc1ccccc1C,0,0.0,
+CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12,0,0.0,
+CCOC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CCCC2=O,0,0.0,
+CCOC(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O,0,0.0,
+CCOC(=O)c1cc2c3ccccc3n(CC)c2nc1N,0,0.0,
+CCOC(=O)c1cc2cc(-c3c(C(=O)OCC)oc4cc(O)cc(O)c4c3=O)ccc2o1,0,0.0,
+CCOC(=O)c1cc2cc(C)ccc2[nH]1,0,0.0,
+CCOC(=O)c1cc2cc(F)ccc2nc1C,0,0.0,
+CCOC(=O)c1cc2cc(OC)ccc2[nH]1,0,0.0,
+CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O,0,0.0,
+CCOC(=O)c1cc2ccc(OC)c(OC)c2c(=O)s1,0,0.0,
+CCOC(=O)c1cc2ccccc2nc1C,0,0.0,
+CCOC(=O)c1cc2n(c1C)-c1ccccc1C2=O,0,0.0,
+CCOC(=O)c1cc2n(c1N)-c1ccccc1C2=O,0,0.0,
+CCOC(=O)c1cc2n(n1)C(C(F)(F)C(F)(F)F)CC(C)N2,0,0.0,
+CCOC(=O)c1cc2n(n1)C(C(F)(F)F)CC(C)N2,0,0.0,
+CCOC(=O)c1cc2nc(Nc3ccc(OC)cc3)sc2s1,0,0.0,
+CCOC(=O)c1cc2oc(C(c3nnnn3C3CCCCC3)N3CCOCC3)cc2[nH]1,0,0.0,
+CCOC(=O)c1cc2oc(C)cc2n1CC(=O)OC1CCCCC1,0,0.0,
+CCOC(=O)c1cc2occc2n1CC(=O)N1CCCc2ccccc21,0,0.0,
+CCOC(=O)c1cc2occc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCOC(=O)c1cc2occc2n1CC(=O)N1CCOCC1,0,0.0,
+CCOC(=O)c1cc2occc2n1CC(=O)NC1CCC(C)CC1,0,0.0,
+CCOC(=O)c1cc2occc2n1CC(=O)NC1CCCCC1C,0,0.0,
+CCOC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)cc1OC,0,0.0,
+CCOC(=O)c1cc2occc2n1CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+CCOC(=O)c1cc2sc(C)cc2n1C(C)C(=O)OCC,0,0.0,
+CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCOCC1,0,0.0,
+CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCc2ccccc21,0,0.0,
+CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NCCc1ccccc1,0,0.0,
+CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NCc1ccc(F)cc1,0,0.0,
+CCOC(=O)c1cc2sc(C)cc2n1CC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CCOC(=O)c1cc2sc(C)cc2n1CC(=O)Nc1cccc(C)c1C,0,0.0,
+CCOC(=O)c1cc2sccc2n1CC(=O)N1CCCC1,0,0.0,
+CCOC(=O)c1cc2sccc2n1CC(=O)N1CCCc2ccccc21,0,0.0,
+CCOC(=O)c1cc2sccc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCOC(=O)c1cc2sccc2n1CC(=O)N1CCc2ccccc21,0,0.0,
+CCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2CC1C,0,0.0,
+CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)c(OC)c1,0,0.0,
+CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)cc1OC,0,0.0,
+CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc2c(c1)OCCO2,1,100.0,0.0
+CCOC(=O)c1cc2sccc2n1CC(=O)OC(C)C,0,0.0,
+CCOC(=O)c1cc2sccc2n1CC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CCOC(=O)c1cc2sccc2n1CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+CCOC(=O)c1cc2sccc2n1Cc1ccc(C#N)cc1,0,0.0,
+CCOC(=O)c1cc2sccc2n1Cc1ccccc1,0,0.0,
+CCOC(=O)c1ccc(-c2c(C(=O)OCC)oc3cc(O)c(CC)cc3c2=O)o1,0,0.0,
+CCOC(=O)c1ccc(-c2ccc(C(=O)Nc3cccnc3)o2)cc1,0,0.0,
+CCOC(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,0,0.0,
+CCOC(=O)c1ccc(-n2[nH]c(-c3ccccc3)cc2=O)cc1,1,100.0,0.0
+CCOC(=O)c1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(-n2c(=S)sc3c(=O)[nH]c(C)nc32)cc1,0,0.0,
+CCOC(=O)c1ccc(-n2c(C)nc3c(cnn3-c3ccccc3C)c2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCc3ccco3)sc2=S)cc1,0,0.0,
+CCOC(=O)c1ccc(-n2ncc(C(=O)OCC)c2N)cc1,0,0.0,
+CCOC(=O)c1ccc(CC(=O)c2oc3cc(O)ccc3c2C)o1,0,0.0,
+CCOC(=O)c1ccc(CC2S/C(=C(\C#N)C(C)=O)NC2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)o1,0,0.0,
+CCOC(=O)c1ccc(CNC(=O)C2CCCCC2C(=O)OCC(F)(F)F)o1,0,0.0,
+CCOC(=O)c1ccc(CNC(=O)CSc2nnnn2-c2ccc(Cl)cc2)o1,0,0.0,
+CCOC(=O)c1ccc(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)o1,0,0.0,
+CCOC(=O)c1ccc(CNC(=O)c2cc(C(C)(C)C)oc2C)o1,0,0.0,
+CCOC(=O)c1ccc(CNC(=O)c2cc3cccc(OC)c3oc2=O)o1,0,0.0,
+CCOC(=O)c1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)o1,0,0.0,
+CCOC(=O)c1ccc(COC(=O)CCc2nc3ccccc3[nH]c2=O)o1,0,0.0,
+CCOC(=O)c1ccc(COC(=O)CNC(=O)CNC(=O)c2ccc(OC)cc2)o1,0,0.0,
+CCOC(=O)c1ccc(COC(=O)c2cc(=O)[nH]c3ccccc23)o1,0,0.0,
+CCOC(=O)c1ccc(COC(=O)c2cc3ccccc3oc2=O)o1,1,100.0,1.0
+CCOC(=O)c1ccc(COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)o1,0,0.0,
+CCOC(=O)c1ccc(COC(=O)c2nonc2N)cc1,0,0.0,
+CCOC(=O)c1ccc(COc2nc3ccccc3nc2-c2ccccc2NC(C)=O)o1,0,0.0,
+CCOC(=O)c1ccc(C[S+]([O-])c2ccc(Cl)cc2)o1,0,0.0,
+CCOC(=O)c1ccc(CSc2ncn[nH]2)o1,0,0.0,
+CCOC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2N)cc1,0,0.0,
+CCOC(=O)c1ccc(CSc2nnc(N)s2)cc1,0,0.0,
+CCOC(=O)c1ccc(Cn2c(-c3ccccc3)nnc2-c2ccccc2)o1,0,0.0,
+CCOC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2ccco2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)C(C)=C(C)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccc(O)c(OC)c2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccccn2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)C3C(C2=O)C(C(=O)c2ccc(Cl)cc2)N2CCCC32)cc1,1,100.0,0.0
+CCOC(=O)c1ccc(N2C(=O)C3CC=C(C)CC3C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)C3CC=CCC3C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccco4)C3C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(C(=O)OC)=C2C)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(C3CCCO3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(N3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(N3CCC(C#N)(c4ccccc4)CC3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(N3CCC(C(=O)OCC)CC3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1,1,100.0,1.0
+CCOC(=O)c1ccc(N2C(=O)CC(N3CCN(Cc4ccccc4)CC3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(NC3CCN(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(NC3CCN(C(=O)c4cccc(Cl)c4)CC3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(SCC(N)C(=O)OCC)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(Sc3nc(O)c(CC)c(=O)[nH]3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)CC(Sc3nnc(C)s3)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(O)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(OC)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(OC)cc2OC)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccc2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccn2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2cccnc2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccco2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2CC(O)=C(c3nc4ccccc4c(=O)[nH]3)C2=N)cc1,0,0.0,
+CCOC(=O)c1ccc(N2CN=C3SCC(=O)N3C2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2CSC3=C(C#N)C(c4ccc(OC)cc4OC)CC(=O)N3C2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,0,0.0,
+CCOC(=O)c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1O,0,0.0,
+CCOC(=O)c1ccc(N2Cc3ccccc3C2)cc1O,0,0.0,
+CCOC(=O)c1ccc(N=C2NC(=O)CS2)cc1,0,0.0,
+CCOC(=O)c1ccc(N=CC2=C(O)CC(C)(C)CC2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N=CC2=C(O)CC(c3ccco3)CC2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N=Cc2nc(-c3ccccc3)oc2OC(C)=O)cc1,0,0.0,
+CCOC(=O)c1ccc(N=Cc2nc3ccccc3n2C)cc1,0,0.0,
+CCOC(=O)c1ccc(N=c2sc(C(=O)OC)cc(=O)n2C2CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(N=c2sc(C(=O)OC)cc(=O)n2CCCN2CCOCC2)cc1,0,0.0,
+CCOC(=O)c1ccc(N=c2sc(C(=O)OC)cc(=O)n2Cc2ccco2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(OC)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C(CC)(CC)C(=O)OCC)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C(CC)CC)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3C2c2ccc(OC)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3C2c2cccc(C)c2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C2C3C=CC(C3)C2C(=O)O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C2C3C=CC(O3)C2C(=O)O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C2CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2CCCOC)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2CCOC)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CC2COc3ccccc3O2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CC2OCCN(CC)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CC2SC(=NC)N(C)C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CC2SCCNC2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CC2Sc3ncnn3C2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CCC(=O)OC)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CCC(CC)C(=O)O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CCNc2c(N3CCCC3)c(=O)c2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CCc2ccc(C)o2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CCc2ccc(CC)o2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CN2C(=O)CNC2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CN2C(=O)CSC2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)COC)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSC2=NC(=O)C(CC)C(=O)N2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSCc2ccco2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nc(SC)ns2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2CC)SC(C)C3)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2ncccn2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1,1,100.0,0.0
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2CC)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)n2C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)n2CC)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)CSc2nnnn2CCCO)cc1,1,100.0,
+CCOC(=O)c1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)Cn2cccc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)N(CC)CC)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)N2CC(C)OC(C)C2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)N2CCN(CCc3ccccc3)CC2)cc1,1,100.0,0.0
+CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc32)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)NC(C)C2CCCO2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)NC2CC3CCC(C2)N3Cc2nnnn2C(C)(C)C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)NC2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)NCCN2CCCCC2)cc1,1,100.0,0.0
+CCOC(=O)c1ccc(NC(=O)NCc2ccn(CC)n2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)NCc2ccncc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)Nc2c(C)nn(C)c2C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)Nc2cc(C)on2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)Nc2ccn(C)n2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]c(C(=O)OCC)c2C)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1,1,100.0,
+CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1,1,100.0,1.0
+CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1,1,100.0,
+CCOC(=O)c1ccc(NC(=O)c2cnccn2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)c2nn(C)cc2Br)cc1,0,0.0,
+CCOC(=O)c1ccc(NC(=O)c2nn(CC)cc2Br)cc1,0,0.0,
+CCOC(=O)c1ccc(NC2OC(=O)c3ccccc32)cc1,0,0.0,
+CCOC(=O)c1ccc(NC2c3ccccc3C(=O)N2c2cccnc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NC2c3ncccc3C(=O)N2Cc2ccc(F)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NCC(O)COc2ccccc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+CCOC(=O)c1ccc(NCc2nc3ccccc3[nH]2)cc1,0,0.0,
+CCOC(=O)c1ccc(NCn2c(=O)oc3ccccc32)cc1,0,0.0,
+CCOC(=O)c1ccc(NS(=O)(=O)CC)cc1,0,0.0,
+CCOC(=O)c1ccc(NS(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1,0,0.0,
+CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3C(C)C)ccc2OC)cc1,0,0.0,
+CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1,0,0.0,
+CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1,0,0.0,
+CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1,0,0.0,
+CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1,0,0.0,
+CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,0,0.0,
+CCOC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1,0,0.0,
+CCOC(=O)c1ccc(NS(=O)(=O)c2cnc[nH]2)cc1,0,0.0,
+CCOC(=O)c1ccc(N[S+]([O-])C23CC4CC(CC(C4)C2)C3)cc1,0,0.0,
+CCOC(=O)c1ccc(Nc2c(CC)c(C)nc3ncnn23)cc1,0,0.0,
+CCOC(=O)c1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1,0,0.0,
+CCOC(=O)c1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0,0.0,
+CCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1,0,0.0,
+CCOC(=O)c1ccc(Nc2ccc(-c3ccc(OC)c(OC)c3)nn2)cc1,0,0.0,
+CCOC(=O)c1ccc(Nc2nc(C)cc(C)c2C#N)cc1,0,0.0,
+CCOC(=O)c1ccc(Nc2ncnc3c2cnn3C)cc1,0,0.0,
+CCOC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1,0,0.0,
+CCOC(=O)c1ccc(Nc2nnc(C(C)(C)C)c(=O)[nH]2)cc1,0,0.0,
+CCOC(=O)c1ccc(Nc2nnc3nc(C)cc(C)n23)cc1,1,100.0,0.0
+CCOC(=O)c1ccc(OCC(=O)c2ccc(O)cc2O)cc1,0,0.0,
+CCOC(=O)c1ccc(OCc2nc(-c3cccs3)no2)cc1,0,0.0,
+CCOC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1,1,100.0,1.0
+CCOC(=O)c1ccc(Oc2cc(C)nc(SC)n2)cc1,0,0.0,
+CCOC(=O)c1ccc(Oc2nc(NC(C)(C)C)nc(N(C)C)n2)cc1,0,0.0,
+CCOC(=O)c1ccc(Oc2nc(NC)nc(OC)n2)cc1,1,100.0,
+CCOC(=O)c1ccc(Oc2nc(NC)nc(SC)n2)cc1,0,0.0,
+CCOC(=O)c1ccc(Oc2nc(SC)nc(N(C)C)n2)cc1,0,0.0,
+CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC3CCCCC3)CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC3CC=CCC3)CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC)CC2)cc1,0,0.0,
+CCOC(=O)c1ccc(S(=O)(=O)NC2CCCCCCC2)n1C,0,0.0,
+CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)no2)cc1,0,0.0,
+CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnn(CC)n2)cc1,1,100.0,
+CCOC(=O)c1ccc(S(=O)(=O)n2c(CN3CCCCC3)nc3ccccc32)cc1,0,0.0,
+CCOC(=O)c1ccc2[nH]c(C)c(CCC(C)=O)c(=O)c2c1,0,0.0,
+CCOC(=O)c1ccc2[nH]c(C)c(CN3CCN(C)CC3)c(=O)c2c1,0,0.0,
+CCOC(=O)c1ccc2[nH]c(C)cc(=O)c2c1,0,0.0,
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3=O,0,0.0,
+CCOC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3,0,0.0,
+CCOC(=O)c1ccc2[nH]cc(C(C)=O)c(=O)c2c1,0,0.0,
+CCOC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,0,0.0,
+CCOC(=O)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2,0,0.0,
+CCOC(=O)c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)C(C)(C)O2,0,0.0,
+CCOC(=O)c1ccc2c(c1)N(Cc1ccccc1C)C(=O)c1ccccc1[S+]2[O-],0,0.0,
+CCOC(=O)c1ccc2c(c1)NC(=O)C(N1CCN(c3ccc(OC)cc3)CC1)S2,0,0.0,
+CCOC(=O)c1ccc2c(c1)n(CCO)c(C)[n+]2CC,0,0.0,
+CCOC(=O)c1ccc2c(c1)nc(C1CCN(S(=O)(=O)c3cccs3)CC1)n2CC,1,100.0,1.0
+CCOC(=O)c1ccc2c(c1)nc(COc1ccccc1C#N)n2CC,0,0.0,
+CCOC(=O)c1ccc2c(c1)nc(SC/C(O)=C(\C#N)c1nc3ccccc3[nH]1)n2CC,0,0.0,
+CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCCC1)n2CC,0,0.0,
+CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccco1)n2CC,0,0.0,
+CCOC(=O)c1ccc2c(c1)nc(SCc1cn3ccsc3n1)n2CC,0,0.0,
+CCOC(=O)c1ccc2nc(C(F)(F)F)[nH]c(=O)c2c1,0,0.0,
+CCOC(=O)c1ccc2nc(C)c3c(c2c1)OC(C)C3,0,0.0,
+CCOC(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1,0,0.0,
+CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1,0,0.0,
+CCOC(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1,0,0.0,
+CCOC(=O)c1ccc2nc(NC(NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1,0,0.0,
+CCOC(=O)c1ccc2nc3c(cc2c1)CCS3,0,0.0,
+CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCCN3CCOCC3)c2c1,1,100.0,1.0
+CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCN(C)C)c2c1,0,0.0,
+CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCc3ccco3)c2c1,0,0.0,
+CCOC(=O)c1cccc(-n2c(C)nc3ccccc3c2=O)c1,0,0.0,
+CCOC(=O)c1cccc(C(=O)OCC)n1,0,0.0,
+CCOC(=O)c1cccc(N2C(=O)C3C(C(=O)NC4CC4)C4(C)C=CC3(O4)C2C(=O)NC(C)(C)C)c1,0,0.0,
+CCOC(=O)c1cccc(N2C(=O)c3ccccc3S2(=O)=O)c1,0,0.0,
+CCOC(=O)c1cccc(N2C(N)=NC(N)=NC2(C)C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)C2CCC(CNc3c(N4CCOCC4)c(=O)c3=O)CC2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)C2CCCO2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccs2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CCc2c(C)nc3ncnn3c2C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CCn2cccc2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CCn2nnc3ccccc32)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CNC(=O)C2CCCCC2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CS(=O)(=O)Cc2nc(-c3cccc(OC)c3)oc2C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nc3cccnc3n2C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2CC)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2CCCOC)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CCOC)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2CC)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2CC)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2CC)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnnn2C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)CSc2nnnn2CC)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)Cn2c(CC(=O)N3CCCC3)nc3ccccc32)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)Cn2c(CC(=O)NC)nc3ccccc32)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)N[C@@H](C)C(=O)OC)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)Nc2cc(OC)ccc2OC)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)c2cc3sccc3n2C)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)c2cccnc2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)c2cccs2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1,0,0.0,
+CCOC(=O)c1cccc(NC(=O)c2cnccn2)c1,0,0.0,
+CCOC(=O)c1cccc(NC2c3ccccc3C(=O)N2Cc2ccco2)c1,0,0.0,
+CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1,0,0.0,
+CCOC(=O)c1cccc(NS(=O)(=O)c2cnc[nH]2)c1,0,0.0,
+CCOC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1,0,0.0,
+CCOC(=O)c1cccc(S(=O)(=O)N(CCO)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)c1,0,0.0,
+CCOC(=O)c1cccc(S(=O)(=O)N(CCO)Cc2cc3cc(OC)ccc3[nH]c2=O)c1,0,0.0,
+CCOC(=O)c1cccc([P+](=O)O)c1,0,0.0,
+CCOC(=O)c1cccc2c1-c1ccccc1/C2=N/O,0,0.0,
+CCOC(=O)c1ccccc1N/C=C1\CCCC1=O,0,0.0,
+CCOC(=O)c1ccccc1N1C(=O)CSC1=S,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)C(C)Oc1ccccc1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CC(C)CC(=O)O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CC1Nc2ccccc2NC1=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CC1SC(=NC)N(C)C1=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1OCC)S(C)(=O)=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CN1C(=O)CCS(=O)(=O)c2ccccc21,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)COC,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)COC(=O)C1=COCCO1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)COc1ccccc1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2o1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CSc1ncc(C(=O)OCC)c(N)n1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CSc1nccn1C,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2)n1CC,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2C)n1C,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(C)cc1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCCC1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(OC)cc2)c1=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2C(C)(C)C)c1=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(nnn2-c2ccc(C)cc2)c1=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)N1CCn2c(C)ccc2C1CC,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)Nc1ccc(OC)c(OC)c1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(CC)c1=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1cc2sccc2n1C,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1cccc2c1C(=O)N(C1CCN(C(=O)OCC)CC1)C2,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1ccccc1SC,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1cccnc1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1cccs1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1cn(CC)c2nc(C)ccc2c1=O,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1cncc(Br)c1,0,0.0,
+CCOC(=O)c1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1,0,0.0,
+CCOC(=O)c1ccccc1NC1CC(=O)N(c2ccccc2C)C1=O,0,0.0,
+CCOC(=O)c1ccccc1NC1OC(=O)c2ccccc21,0,0.0,
+CCOC(=O)c1ccccc1NC1c2ccccc2C(=O)N1C1CCN(C(=O)OCC)CC1,1,100.0,1.0
+CCOC(=O)c1ccccc1NC1c2ccccc2C(=O)N1c1ccc(C)cn1,0,0.0,
+CCOC(=O)c1ccccc1NCN1C(=O)CSC1=O,0,0.0,
+CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+CCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1,0,0.0,
+CCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1F,0,0.0,
+CCOC(=O)c1ccccc1Nc1cc(C)nc2nc(C)nn12,0,0.0,
+CCOC(=O)c1ccccc1OCc1cc(/C=N/n2cncn2)ccc1OC,0,0.0,
+CCOC(=O)c1cccnc1SC(CC)C(=O)N1CCOCC1,0,0.0,
+CCOC(=O)c1cccnc1SCC(=O)N(C)c1ccccc1,0,0.0,
+CCOC(=O)c1cccnc1SCC(=O)NC(C)CC,0,0.0,
+CCOC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1,0,0.0,
+CCOC(=O)c1ccn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)n1,0,0.0,
+CCOC(=O)c1ccoc1CSCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1,0,0.0,
+CCOC(=O)c1ccoc1CSCc1ccc(C(=O)OC)o1,0,0.0,
+CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccncc1,0,0.0,
+CCOC(=O)c1cn(CC(=O)Nc2cc(Cl)ccc2OC)nn1,0,0.0,
+CCOC(=O)c1cn(CC(=O)Nc2ccc(C(C)C)cc2)nn1,0,0.0,
+CCOC(=O)c1cn(CC(=O)Nc2ccc(C)cc2)nn1,0,0.0,
+CCOC(=O)c1cn(CC(=O)Nc2ccc(CC)cc2)nn1,0,0.0,
+CCOC(=O)c1cn(CC(=O)Nc2ccc3c(c2)OCCO3)nn1,0,0.0,
+CCOC(=O)c1cn(CC(=O)Nc2ccccc2C(=O)OCC)nn1,0,0.0,
+CCOC(=O)c1cn(CC)c2cc(N3CCCCC3)c(F)cc2c1=O,0,0.0,
+CCOC(=O)c1cn(CC)c2cc(N3CCOCC3)c(F)cc2c1=O,0,0.0,
+CCOC(=O)c1cn(CC)c2cc(N3CCSCC3)c(F)cc2c1=O,0,0.0,
+CCOC(=O)c1cn(CC)c2ccc(Br)cc2c1=O,0,0.0,
+CCOC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1=O,0,0.0,
+CCOC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O,0,0.0,
+CCOC(=O)c1cn2c3c(c(F)c(F)c(F)c3c1=O)SC(N1CCCC1)=N2,0,0.0,
+CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C,0,0.0,
+CCOC(=O)c1cn[nH]c1N,0,0.0,
+CCOC(=O)c1cnc(-c2cccc(OC)c2)[nH]c1=O,0,0.0,
+CCOC(=O)c1cnc(-c2ccccc2)[nH]c1=O,0,0.0,
+CCOC(=O)c1cnc(-c2ccccc2)nc1N,1,100.0,0.0
+CCOC(=O)c1cnc(-n2cc(C)cn2)nc1NCc1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1ccccc1OC,0,0.0,
+CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1ccccc1OCC,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1-n1nc(C)cc1C,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(C)C,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(CC)CC,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CC(C)OC(C)C1,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCOCC1,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC(C)c1ccccc1,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCCc1ccccc1,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCc1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCc1ccccc1,1,100.0,1.0
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(N(C)C)cc1,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cccc(C(=O)O)c1,0,0.0,
+CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cccc(C(C)=O)c1,0,0.0,
+CCOC(=O)c1cnc(=O)[nH]c1C,0,0.0,
+CCOC(=O)c1cnc(C(C)(C)C)[nH]c1=O,0,0.0,
+CCOC(=O)c1cnc(N2CCOCC2)[nH]c1=O,0,0.0,
+CCOC(=O)c1cnc(NCc2ccccc2)nc1C,0,0.0,
+CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CN1CCN(c2ccccc2)CC1,0,0.0,
+CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CSc1ncccn1,0,0.0,
+CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CSc1nnc(C)s1,0,0.0,
+CCOC(=O)c1cnc(SC)nc1Nc1cccc(F)c1,0,0.0,
+CCOC(=O)c1cnc(SC2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)nc1N,0,0.0,
+CCOC(=O)c1cnc(SC2CC(=O)N(c3cccc(OC)c3)C2=O)nc1N,0,0.0,
+CCOC(=O)c1cnc(SC2CCc3ccccc3C2=O)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)N2CCN(c3ccccc3)CC2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)N2CCc3ccccc32)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)NCc2ccco2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)NCc2cccs2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)Nc2cc(OC)cc(OC)c2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)Nc2ccc(NC(=O)CC)c(OC)c2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)Nc2ccc(NC(C)=O)c(OC)c2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)Nc2ccc3c(c2)OCCO3)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)Nc2ccccc2N2CCOCC2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)Nc2nc(C)c(C)s2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)Nc2nnc(CC)s2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)Nc2sc(C)c(C)c2C#N)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)c2ccc3c(c2)OCCO3)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC(=O)c2ccccc2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCC)[nH]c1=O,0,0.0,
+CCOC(=O)c1cnc(SCc2ccc(C)cc2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCc2ccccc2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccc(C)cc3)n2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccc(F)cc3)n2)nc1N,0,0.0,
+CCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccccc3)n2)nc1N,0,0.0,
+CCOC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1N,0,0.0,
+CCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1N,0,0.0,
+CCOC(=O)c1cnc2c(C#N)c(C)nn2c1-c1ccccc1,0,0.0,
+CCOC(=O)c1cnc2c(C#N)c(C)nn2c1C,0,0.0,
+CCOC(=O)c1cnc2c(C#N)c3c(cn2c1=O)CCCN3,0,0.0,
+CCOC(=O)c1cnc2c(C#N)c3c(cn2c1=O)CCO3,0,0.0,
+CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCCN1CCOCC1,0,0.0,
+CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCc1ccco1,0,0.0,
+CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N1CCOCC1,0,0.0,
+CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCOCC1,0,0.0,
+CCOC(=O)c1cnc2c(C)cccc2c1NCCN1CCOCC1,1,100.0,1.0
+CCOC(=O)c1cnc2c(C)cccc2c1NCc1ccco1,1,100.0,1.0
+CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1N1CCN(C)CC1,1,100.0,0.0
+CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCOCCO,0,0.0,
+CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccc(OC)cc2)CC1,0,0.0,
+CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2OC)CC1,0,0.0,
+CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1NCC1CCCO1,0,0.0,
+CCOC(=O)c1cnc2cc3c(cn2c1=O)CCCC3,0,0.0,
+CCOC(=O)c1cnc2ccc(Br)cc2c1NCC(C)O,0,0.0,
+CCOC(=O)c1cnc2ccc(Br)cc2c1NCCO,0,0.0,
+CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1NCCN1CCOCC1,0,0.0,
+CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1NCc1ccco1,0,0.0,
+CCOC(=O)c1cnc2ccc(Cl)cc2c1N1CCN(C)CC1,0,0.0,
+CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(C)CC1,0,0.0,
+CCOC(=O)c1cnc2ccccc2c1NCCO,1,100.0,1.0
+CCOC(=O)c1cnc2nc(C)[nH]n2c1=O,0,0.0,
+CCOC(=O)c1cnc2nc(COc3ccccc3)[nH]n2c1=O,0,0.0,
+CCOC(=O)c1cnc2nc(NCc3ccc(OC)c(OC)c3)[nH]n2c1=O,0,0.0,
+CCOC(=O)c1cnc2nc[nH]n2c1=O,0,0.0,
+CCOC(=O)c1cnc2sc3c(n2c1=O)CCCC3,0,0.0,
+CCOC(=O)c1cnc2sccn2c1=O,0,0.0,
+CCOC(=O)c1cnc2scnn2c1=O,0,0.0,
+CCOC(=O)c1cncc(NC(=O)c2ccccc2)c1,0,0.0,
+CCOC(=O)c1cncn1C(C)c1ccccc1,0,0.0,
+CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)c(C)nn23)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1,0,0.0,
+CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccs1,0,0.0,
+CCOC(=O)c1cnn(-c2ccccn2)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2nc(-c3ccccc3)nc3c2COC(C)(C)C3)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2nc(C)nc3sc4c(c23)CCC4)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2nc(CC)nc3sc4c(c23)CCC4)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2nc(SC)nc3sc4c(c23)CCC4)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2ncnc3c2cnn3Cc2ccccc2)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2ncnc3c2oc2ccccc23)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2ncnc3sc(C)c(C)c23)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2ncnc3sc(CC)cc23)c1N,0,0.0,
+CCOC(=O)c1cnn(-c2ncnc3sc4c(c23)CCC4)c1N,1,100.0,0.0
+CCOC(=O)c1cnn(-c2sc(C(=O)OCC)c(C)c2C(=O)OCC)c1N,0,0.0,
+CCOC(=O)c1cnn(CCOC(=O)C(C)(C)C)c1NC(=O)C(C)(C)C,0,0.0,
+CCOC(=O)c1cnn(CCOC(=O)Cc2cccs2)c1NC(=O)Cc1cccs1,0,0.0,
+CCOC(=O)c1cnn(CCOC(=O)c2cccs2)c1NC(=O)c1cccs1,0,0.0,
+CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,0,0.0,
+CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3cn(C)nc3C)nc12,0,0.0,
+CCOC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12,0,0.0,
+CCOC(=O)c1cnn2c(C)cc(-c3ccc(F)cc3)nc12,0,0.0,
+CCOC(=O)c1cnn2c(C)cc(-c3ccccc3)nc12,0,0.0,
+CCOC(=O)c1cnn2c(N)c(C#N)nnc12,0,0.0,
+CCOC(=O)c1cnn2c1[nH]c(=O)c1ccccc12,0,0.0,
+CCOC(=O)c1coc(CNC(=O)c2c(C)oc3c2CCCC3)c1,0,0.0,
+CCOC(=O)c1csc(NC(=O)C(C)(C)C)n1,0,0.0,
+CCOC(=O)c1csc(NC(=O)C2CCCCC2)n1,0,0.0,
+CCOC(=O)c1csc(NC(=O)CSc2nnc(C3CC3)n2C)n1,0,0.0,
+CCOC(=O)c1csc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)n1,0,0.0,
+CCOC(=O)c1csc(NC(=O)CSc2nnnn2-c2ccc(OCC)cc2)n1,0,0.0,
+CCOC(=O)c1csc(NC(=O)CSc2nnnn2CC)n1,0,0.0,
+CCOC(=O)c1csc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1,0,0.0,
+CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1,0,0.0,
+CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)n1,0,0.0,
+CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1,0,0.0,
+CCOC(=O)c1csc(NC(=O)c2ccccc2)n1,0,0.0,
+CCOC(=O)c1csc(Nc2nc3ccc(F)cc3s2)n1,0,0.0,
+CCOC(=O)c1n[nH]c2ccccc12,0,0.0,
+CCOC(=O)c1nc(-c2ccc3c(c2)OCO3)[nH]c1C,0,0.0,
+CCOC(=O)c1nc(-c2ccccc2)oc1N(C)C,0,0.0,
+CCOC(=O)c1nc(C)[nH]c1C(=O)OCC,0,0.0,
+CCOC(=O)c1nc(N)c(=O)n(-c2ccccc2)n1,0,0.0,
+CCOC(=O)c1nc(N)c(C(=O)OCC)[nH]1,0,0.0,
+CCOC(=O)c1nc(N)sc1C(=O)OCC,0,0.0,
+CCOC(=O)c1nc(N2CCN(C(=O)OCC)CC2)c2c3c(sc2n1)CCCC3,0,0.0,
+CCOC(=O)c1nc(NCc2cccnc2)c2ccccc2n1,0,0.0,
+CCOC(=O)c1nc(Nc2ccc(C(=O)O)cc2)c2ccccc2n1,0,0.0,
+CCOC(=O)c1nc(S(C)(=O)=O)ncc1Cl,0,0.0,
+CCOC(=O)c1nc(S(C)(=O)=O)ncc1N1CCOCC1,0,0.0,
+CCOC(=O)c1nc2ccccc2s1,0,0.0,
+CCOC(=O)c1nc2nc(C)c(Cl)c(=O)n2[nH]1,0,0.0,
+CCOC(=O)c1nc2nc(C)cc(=O)n2[nH]1,0,0.0,
+CCOC(=O)c1nc2sc(C)c(C)c2c(=O)[nH]1,0,0.0,
+CCOC(=O)c1nc2sc3c(c2c(=O)[nH]1)CCCC3,0,0.0,
+CCOC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O,0,0.0,
+CCOC(=O)c1nn(-c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1O,0,0.0,
+CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)scc12,0,0.0,
+CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3ccco3)scc12,0,0.0,
+CCOC(=O)c1nn(-c2ccc3c(c2)CCN3C(C)=O)cc1O,0,0.0,
+CCOC(=O)c1nn(-c2ccc3c(c2)OCO3)cc1O,0,0.0,
+CCOC(=O)c1nn(-c2ccccc2)c(=O)c(C#N)c1C,0,0.0,
+CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)scc12,0,0.0,
+CCOC(=O)c1nn(-c2ccccc2)c(C#N)c1NC(=O)c1nn(CC)cc1Br,0,0.0,
+CCOC(=O)c1nn(-c2ccccc2)c(C(=O)OCC)c1N,0,0.0,
+CCOC(=O)c1nn(-c2ccccc2C)c(=O)c(C#N)c1C,0,0.0,
+CCOC(=O)c1nn(-c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1O,0,0.0,
+CCOC(=O)c1nnc(-c2ccccc2)o1,0,0.0,
+CCOC(=O)c1nnc2cc(-c3ccc(Br)cc3)nn2c1C,0,0.0,
+CCOC(=O)c1nnc2cc(-c3ccccc3)nn2c1C,1,100.0,0.0
+CCOC(=O)c1nnc2ccnn2c1N,0,0.0,
+CCOC(=O)c1nnn(-c2ccccc2C#N)c1C,0,0.0,
+CCOC(=O)c1nnn(-c2nc(N3CCCC3)nc(N3CCCC3)n2)c1-c1ccccc1,0,0.0,
+CCOC(=O)c1nnn(-c2nc(OC)nc(N(C)C)n2)c1-c1ccccc1,0,0.0,
+CCOC(=O)c1nnn(-c2nn3nnnc3c3ccccc23)c1C,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2-c2ccccc2)c1C,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1C,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCC(C)CC1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCCCC1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(OC)cc1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(OCC)cc1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1-c1cccc2ccccc12,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1-c1cccs1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1CN(CC)CC,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2C1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1CNC(C)C,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1CNc1ccc(C)c(Br)c1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1COc1cc(C)c(Cl)c(C)c1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2N)c1CSc1ccccn1,0,0.0,
+CCOC(=O)c1nnn(-c2nonc2NC(C)=O)c1C,1,100.0,1.0
+CCOC(=O)c1nnn(C(CC)C(=O)Nc2cc(C)ccc2OC)c1C(=O)OCC,0,0.0,
+CCOC(=O)c1nnn(CC(=O)Nc2cc(Cl)ccc2C)c1C(=O)OCC,0,0.0,
+CCOC(=O)c1nnn(CC(=O)Nc2cc(F)ccc2F)c1C(=O)OCC,0,0.0,
+CCOC(=O)c1nnn(CC(=O)Nc2ccc(C)c(F)c2)c1C(=O)OCC,0,0.0,
+CCOC(=O)c1nnn(CC(=O)Nc2ccc(C)cc2)c1C(=O)OCC,0,0.0,
+CCOC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2C)c1C(=O)OCC,0,0.0,
+CCOC(=O)c1nnn(CC(=O)Nc2cccc(F)c2)c1C(=O)OCC,0,0.0,
+CCOC(=O)c1nnn(CC(=O)Nc2cccc(OC)c2)c1C(=O)OCC,0,0.0,
+CCOC(=O)c1nnn(CC(=O)Nc2ccccc2OC)c1C(=O)OCC,0,0.0,
+CCOC(=O)c1nnsc1NC(C)=O,0,0.0,
+CCOC(=O)c1oc2c(C)c(O)ccc2c(=O)c1-c1nncn1-c1ccccc1,0,0.0,
+CCOC(=O)c1oc2c(CN3CCCCC3C)c(O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1,0,0.0,
+CCOC(=O)c1oc2c(CN3CCN(C)CC3)c(O)ccc2c(=O)c1-c1ccccc1OC,1,100.0,
+CCOC(=O)c1oc2c(O)c(O)ccc2c(=O)c1-c1nncn1-c1ccccc1,0,0.0,
+CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCO2,0,0.0,
+CCOC(=O)c1oc2cc(O)cc(C)c2c(=O)c1-c1cscn1,0,0.0,
+CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccccc1OC,0,0.0,
+CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1csc(C)n1,0,0.0,
+CCOC(=O)c1oc2cc(OCC(N)=O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1,0,0.0,
+CCOC(=O)c1oc2ccc(Br)cc2c1CSc1nnc(C)s1,0,0.0,
+CCOC(=O)c1oc2ccc(Br)cc2c1NC(=O)CN1CCN(C)CC1,1,100.0,1.0
+CCOC(=O)c1oc2ccc(CNCCO)c(Cl)c2c1C,1,100.0,1.0
+CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1C,0,0.0,
+CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C,0,0.0,
+CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2c1C,0,0.0,
+CCOC(=O)c1oc2ccc(S(=O)(=O)n3nc(-c4ccc(OC)cc4)cc3N)cc2c1C,0,0.0,
+CCOC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCN(C(=O)OCC)CC1)O3,0,0.0,
+CCOC(=O)c1oc2cccc(O)c2c1CN(Cc1ccccc1)C(C)=O,0,0.0,
+CCOC(=O)c1oc2cccc(O)c2c1CN1CCOCC1,0,0.0,
+CCOC(=O)c1oc2cccc(OC(C)=O)c2c1C,0,0.0,
+CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C,0,0.0,
+CCOC(=O)c1oc2ccccc2c1CN1CCN(C(=O)c2ccccc2)CC1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1CN1CCN(c2ccccc2)CC1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1CN1CCOCC1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1CSc1nnc(-c2ccco2)o1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1CSc1nnnn1-c1ccc(C)cc1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1CSc1nnnn1-c1ccc(OC)cc1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1CSc1nnnn1-c1ccccc1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)C1CCCCC1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)CN1CCN(C)CC1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)COC,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(F)cc1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)COc1cccc(OC)c1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)Cc1cccs1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)cc(OC)c1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(OC)c1,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(OC)c1OC,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1OC,0,0.0,
+CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccs1,0,0.0,
+CCOC(=O)c1oc2nc(C(C)C)c3c(c2c1N)CC(C)(C)OC3,0,0.0,
+CCOC(=O)c1oc2nc(C(C)C)c3c(c2c1N)CCC3,0,0.0,
+CCOC(=O)c1oc2nc(C)c3c(c2c1N)CC(C)(C)OC3,0,0.0,
+CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1N,0,0.0,
+CCOC(=O)c1sc(-c2ccccc2)cc1N,0,0.0,
+CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nnnn1C,0,0.0,
+CCOC(=O)c1sc(-n2[nH]c(C)cc2=O)nc1C,0,0.0,
+CCOC(=O)c1sc(/N=C/N(C)C)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(/N=C/Nc2nc(C)c(C(=O)OCC)s2)nc1C,0,0.0,
+CCOC(=O)c1sc(=N)n(-c2ccc(OC)cc2)c1C,0,0.0,
+CCOC(=O)c1sc(=NC(=O)c2cc(OC)c(OC)c(OC)c2)n(C)c1C,0,0.0,
+CCOC(=O)c1sc(=NC(=O)c2ccc(OC)c(OC)c2)n(C)c1C,0,0.0,
+CCOC(=O)c1sc(=NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)n(C)c1C,0,0.0,
+CCOC(=O)c1sc(=NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n(C)c1C,0,0.0,
+CCOC(=O)c1sc(=NC(=O)c2cccc(OC)c2)n(C)c1C,0,0.0,
+CCOC(=O)c1sc(=S)n(-c2cc(F)ccc2F)c1N,0,0.0,
+CCOC(=O)c1sc(=S)n(-c2cc(OC)ccc2OC)c1N,0,0.0,
+CCOC(=O)c1sc(=S)n(-c2ccc(F)c(F)c2)c1N,0,0.0,
+CCOC(=O)c1sc(=S)n(-c2ccc3c(c2)OCO3)c1N,0,0.0,
+CCOC(=O)c1sc(=S)n(-c2cccc(OC)c2)c1N,0,0.0,
+CCOC(=O)c1sc(=S)n(-c2ccccc2OC)c1N,0,0.0,
+CCOC(=O)c1sc(=S)n(C)c1N,0,0.0,
+CCOC(=O)c1sc(=S)n(CC)c1N,0,0.0,
+CCOC(=O)c1sc(=S)n(CC)c1NC(=O)C1CC1,0,0.0,
+CCOC(=O)c1sc(=S)n(Cc2ccccc2)c1N,0,0.0,
+CCOC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)OC)cc12,0,0.0,
+CCOC(=O)c1sc(C(=O)OCC)c(OCCO)c1OCCO,0,0.0,
+CCOC(=O)c1sc(C)c(C(=O)NCCCN2CCOCC2)c1N,0,0.0,
+CCOC(=O)c1sc(C)c(C(N)=O)c1NC1=NCCCCC1,0,0.0,
+CCOC(=O)c1sc(C)c2c(=O)n(CC)nnc12,0,0.0,
+CCOC(=O)c1sc(C)c2c(=O)n(CCCN3CCOCC3)cnc12,0,0.0,
+CCOC(=O)c1sc(C)c2c1NC(C)(c1cccs1)NC2=O,0,0.0,
+CCOC(=O)c1sc(C)c2c1NC1(CCCCC1)NC2=O,0,0.0,
+CCOC(=O)c1sc(C)nc1C1CCN(C(=O)OCC)CC1,0,0.0,
+CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CN2C(=O)CN(C)C2=O)nc1C,0,0.0,
+CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nnc(C3CC3)n2N)nc1C,0,0.0,
+CCOC(=O)c1sc(N)c(C#N)c1COC(=O)CNC(=O)c1ccccc1,0,0.0,
+CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccc(OCC)cc2[nH]1,0,0.0,
+CCOC(=O)c1sc(N)c(C#N)c1CSc1nnc(C2CCCCC2)n1N,0,0.0,
+CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)C1CC(=O)N(Cc2ccco2)C1,0,0.0,
+CCOC(=O)c1sc(N)nc1-c1ccccc1,0,0.0,
+CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccccc2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)C(CC)Sc2nccn2C)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(CC)c3n2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)C2CC2)cc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)C2CC2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)C2CC=CCC2C(=O)O)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)C2CCCO2)c(C(=O)OC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)C2CCCO2)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CCN2CCOCC2)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CCSC)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CCn2nnc3ccccc32)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CN2CCCC2)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)COC(=O)Cn2cnc3ccccc32)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)COC(=O)c2ccco2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2ccccn2)c(C#N)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)c(C#N)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nc3c(cc2C#N)CCC3)c(C#N)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nc3c(cc2C#N)CCCCCC3)c(C#N)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2ncccn2)c(C#N)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2ncn(-c3ccccc3)n2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2ncn[nH]2)c(C#N)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CCOC)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccco3)n2CC)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccco3)o2)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nnc(C(C)C)n2CC)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nnc(C)s2)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C#N)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nnc3c4ccccc4n(C(C)C)c3n2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nnc3c4ccccc4n(CC)c3n2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nncs2)c(C(=O)OCC)c1C,1,100.0,0.0
+CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccccc2)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccccc2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2c(C)noc2C)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2ccc(Br)o2)cc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2ccc(CC)s2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)cc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2cccnc2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2ccco2)nc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2cccs2)cc1C,0,0.0,
+CCOC(=O)c1sc(NC(=O)c2noc3c2CCCC3)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(=S)n2cc(C)cn2)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(C)=O)c(C(=O)OCC)c1C,0,0.0,
+CCOC(=O)c1sc(NC(C)=O)cc1C,0,0.0,
+CCOC(=O)c1sc(NC(NC(=O)c2ccco2)(C(=O)OC)C(F)(F)F)nc1C,0,0.0,
+CCOC(=O)c1sc(NCC2CCCO2)nc1C,0,0.0,
+CCOC(=O)c1sc(NCCNc2nc(C)c(C(=O)OCC)s2)nc1C,0,0.0,
+CCOC(=O)c1sc(NCc2ccco2)c(-c2nc3ccccc3s2)c1N,0,0.0,
+CCOC(=O)c1sc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)nc1C,0,0.0,
+CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)nc1C,0,0.0,
+CCOC(=O)c1sc(SCC(=O)Nc2ccc(N(C)C)cc2)nc1N,0,0.0,
+CCOC(=O)c1sc2c(c1C)C(c1cccs1)C1=C(CCCC1=O)N2,0,0.0,
+CCOC(=O)c1sc2c(c1C)c(=O)c(C(=O)OCC)cn2CC,0,0.0,
+CCOC(=O)c1sc2ccc(S(=O)(=O)N3CCCCC3)cc2c1N,0,0.0,
+CCOC(=O)c1sc2ccc(S(=O)(=O)N3CCOCC3)cc2c1N,0,0.0,
+CCOC(=O)c1sc2cccc(F)c2c1N,0,0.0,
+CCOC(=O)c1sc2nc(-c3ccco3)c3c(c2c1N)CC(C)(C)OC3,0,0.0,
+CCOC(=O)c1sc2nc(C)cc(C)c2c1N,0,0.0,
+CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccco1,0,0.0,
+CCOC(=O)c1sc2nc(C)n(CC(=O)NCC3CCCO3)c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2nc(CC(=O)OC)nc(N3CCN(c4ccccn4)CC3)c2c1C,0,0.0,
+CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCC(=O)OC)c2c1C,0,0.0,
+CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCCN3CCOCC3)c2c1C,0,0.0,
+CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccco3)c2c1C,0,0.0,
+CCOC(=O)c1sc2nc(CSCC(=O)OCc3ccc(C(=O)OC)o3)[nH]c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2nc(CSc3nc4ccccc4n3CC)[nH]c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2nc(N3CCCC3)c3c(c2c1N)CC(C)(C)OC3,0,0.0,
+CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)N(C)C3,0,0.0,
+CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCC3,0,0.0,
+CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3,0,0.0,
+CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCN(C)C3,0,0.0,
+CCOC(=O)c1sc2nc(NC(=O)C(C)(C)C)sc2c1C,0,0.0,
+CCOC(=O)c1sc2nc(NC(=O)C3CC3)sc2c1C,0,0.0,
+CCOC(=O)c1sc2nc(NC(=O)C3CCCCC3)sc2c1C,0,0.0,
+CCOC(=O)c1sc2nc(NC(=O)COc3ccccc3)sc2c1C,0,0.0,
+CCOC(=O)c1sc2nc(NC(=O)c3cccs3)sc2c1C,0,0.0,
+CCOC(=O)c1sc2nc(SCC#N)n(CC3CCCO3)c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2nc(SCC#N)n(CCCN3CCCC3=O)c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2nc(SCC(=O)NCc3ccco3)n(Cc3ccccc3)c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2nc3c(cc2c1N)COC(C)(C)C3,0,0.0,
+CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCC(C)CC3,0,0.0,
+CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3,0,0.0,
+CCOC(=O)c1sc2nccc(N(C)C)c2c1N=CN(C)C,0,0.0,
+CCOC(=O)c1sc2ncn(/N=C/N(C)C)c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2ncn(/N=C/c3ccccn3)c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2ncn(C(C)C(=O)OC)c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2ncn(C(C)C(=O)OCC)c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2ncn(C(CC)C(=O)OC)c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2ncn(C(CC)C(=O)OCC)c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2ncn(CC(=O)N(CC)CC)c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2ncn(CC(=O)NCC3CCCO3)c(=O)c2c1C,0,0.0,
+CCOC(=O)c1sc2ncnc(N3CCN(C(=O)OCC)CC3)c2c1C,0,0.0,
+CCOC(=O)c1sc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2c1C,0,0.0,
+CCOC(=O)c1sc2ncnc(NCC(c3cccs3)N(C)C)c2c1C,1,100.0,1.0
+CCOC(=O)c1sc2ncnc(OC)c2c1C,0,0.0,
+CCOC(=O)c1sc2sc(C(=O)OCC)c(CN3CCOCC3)c2c1CN1CCOCC1,0,0.0,
+CCOC(=O)c1snc(-c2ccc(F)cc2)c1N,0,0.0,
+CCOC(=O)c1snc(C(=O)NC2CCCCC2)c1N,1,100.0,0.0
+CCOC(=O)c1snc2c(=O)[nH]cnc12,0,0.0,
+CCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+CCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CCOC(=O)n1c(SCC(=O)N(CC)CC)nc2ccccc21,0,0.0,
+CCOC(=O)n1ccc(C(=O)Nc2ccccc2F)n1,0,0.0,
+CCOC(C(=O)OCC(O)CN(CC)CC)(c1ccccc1)c1ccccc1,0,0.0,
+CCOC(NC(=O)c1ccccc1)C(NC(=O)c1ccccc1)OCC,0,0.0,
+CCOC(OCC)P(=O)(C(C)C)C(C)C,0,0.0,
+CCOC(OCC)P(=O)(c1ccccc1)c1ccccc1,0,0.0,
+CCOC1(C(F)(F)F)NC(=O)N(Cc2ccc(OC)cc2)C1=O,0,0.0,
+CCOC1(NC(=O)c2ccccc2)C(C)=CC(=O)C=C1C,0,0.0,
+CCOC1(OCC)N=C(N)C2(C#N)C(c3ccc(NC(C)=O)cc3)C12C#N,0,0.0,
+CCOC1(OCC)N=C(N)C2(C#N)C(c3cccc(OC)c3OC)C12C#N,0,0.0,
+CCOC12NC(=O)CC(=O)N1C(c1ccccc1)=CS2,0,0.0,
+CCOC1=NC(C(=O)O)c2ccccc2/C(=C(/C)Cl)N1,0,0.0,
+CCOC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CCOC1OC2C(CO)OC(n3cnc4c(N)ncnc43)C2O1,0,0.0,
+CCOCC(=O)N1CCCC(C(=O)OCC)C1,0,0.0,
+CCOCC(=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+CCOCC(=O)N1CCc2ccccc21,0,0.0,
+CCOCC(=O)NC1CCSC1=O,0,0.0,
+CCOCC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CCOCC(=O)NCc1ccc2c(c1)cc(C)n2C,0,0.0,
+CCOCC(=O)Nc1c(C(=O)Nc2ccc(OC)cc2OC)oc2ccccc12,0,0.0,
+CCOCC(=O)Nc1c(C(=O)Nc2ccccc2OC)oc2ccccc12,0,0.0,
+CCOCC(=O)Nc1c(C(=O)OCC)oc2ccccc12,0,0.0,
+CCOCC(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C,0,0.0,
+CCOCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC,0,0.0,
+CCOCC(=O)Nc1cc(OC)c(Cl)cc1OC,0,0.0,
+CCOCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1,0,0.0,
+CCOCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CCOCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,0,0.0,
+CCOCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0,0.0,
+CCOCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CCOCC(=O)Nc1cccc(Br)c1,0,0.0,
+CCOCC(=O)Nc1cccc(C(=O)OCC)c1,0,0.0,
+CCOCC(=O)Nc1cccc(NC(C)=O)c1,0,0.0,
+CCOCC(=O)Nc1cccc(OC)c1,0,0.0,
+CCOCC(=O)Nc1ccccc1C(=O)OCC,0,0.0,
+CCOCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2,0,0.0,
+CCOCC(=O)Nc1nc2ccc(C)cc2s1,0,0.0,
+CCOCC(=O)Nc1nc2ccc(OC)cc2s1,0,0.0,
+CCOCC(=O)Nc1nc2ccc(OCC)cc2s1,0,0.0,
+CCOCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,0,0.0,
+CCOCC(=O)Nc1nnc(C)s1,0,0.0,
+CCOCC(=O)Nc1nnc(C2CCCCC2)s1,0,0.0,
+CCOCC(=O)Nc1nnc(COCC)s1,0,0.0,
+CCOCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1,0,0.0,
+CCOCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1,0,0.0,
+CCOCC(=O)Nc1nnc(SCCOC)s1,0,0.0,
+CCOCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2,0,0.0,
+CCOCC(O)CS(=O)(=O)c1ccccn1,0,0.0,
+CCOCC(O)C[S+]([O-])Cc1ccccc1,0,0.0,
+CCOCCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1C,0,0.0,
+CCOCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccncc1,0,0.0,
+CCOCCCN(C(=O)Nc1ccc(CC)cc1)C1CCN(C(C)=O)CC1,0,0.0,
+CCOCCCN(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccc(OC)c1OC,0,0.0,
+CCOCCCN(CCC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)N(CC)CC,0,0.0,
+CCOCCCN1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OC)c(OC)c1,0,0.0,
+CCOCCCN1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OCC)c(OC)c1,0,0.0,
+CCOCCCN1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccc(OC)cc1,0,0.0,
+CCOCCCN1CC(C(=O)NCCc2ccc(C)cc2)CC1=O,0,0.0,
+CCOCCCN1CC(C(=O)NCCc2ccccc2)CC1=O,1,100.0,
+CCOCCCN=Cc1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+CCOCCCNC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1,0,0.0,
+CCOCCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccco1,0,0.0,
+CCOCCCNC(=O)C(NC(=O)C1CCC(=O)N1)c1ccc(C)cc1,0,0.0,
+CCOCCCNC(=O)C(NC(=O)CC1NC(=O)NC1=O)c1ccc(Cl)cc1,0,0.0,
+CCOCCCNC(=O)C(NC(=O)CNC(C)=O)c1ccc(Cl)cc1,0,0.0,
+CCOCCCNC(=O)C(NC(=O)c1ccc(=O)[nH]c1)c1ccccc1,0,0.0,
+CCOCCCNC(=O)C(NC(=O)c1ccc2c(c1)OCO2)c1ccc(OC)cc1,0,0.0,
+CCOCCCNC(=O)C(NC(=O)c1ccccn1)c1ccc(C)cc1,0,0.0,
+CCOCCCNC(=O)C(NC(=O)c1cnccn1)c1ccc(OC)cc1,0,0.0,
+CCOCCCNC(=O)C(c1ccc(C)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(C)=O,0,0.0,
+CCOCCCNC(=O)C(c1ccc(C)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnccn1,0,0.0,
+CCOCCCNC(=O)C(c1ccc(C)cc1)N1CCOCC1,0,0.0,
+CCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2,0,0.0,
+CCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+CCOCCCNC(=O)C(c1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(C)=O,0,0.0,
+CCOCCCNC(=O)C(c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(C)=O,0,0.0,
+CCOCCCNC(=O)C1CC(=O)N(C2CCCC2)C1,0,0.0,
+CCOCCCNC(=O)C1CCC(=O)N1CCc1ccccc1,0,0.0,
+CCOCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CCOCCCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+CCOCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CCOCCCNC(=O)C1CCCN(S(=O)(=O)CC)C1,0,0.0,
+CCOCCCNC(=O)C1CCCN1C(=O)NC1CCCCC1,0,0.0,
+CCOCCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CCOCCCNC(=O)C1CCN(C(=O)N(C)C)CC1,0,0.0,
+CCOCCCNC(=O)C1CCN(C(=O)Nc2ccc(C)cc2)CC1,0,0.0,
+CCOCCCNC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,0,0.0,
+CCOCCCNC(=O)C1CCN(S(=O)(=O)CC)CC1,0,0.0,
+CCOCCCNC(=O)C1CCN(S(=O)(=O)N(CC(C)C)CC(C)C)CC1,0,0.0,
+CCOCCCNC(=O)C1CCN(S(=O)(=O)N2CC(C)CC(C)C2)CC1,0,0.0,
+CCOCCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+CCOCCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C\c2ccc(OC)cc2)CC1,0,0.0,
+CCOCCCNC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)CC1,0,0.0,
+CCOCCCNC(=O)C1c2ccccc2C(=O)N2CCc3ccccc3C12,0,0.0,
+CCOCCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,0,0.0,
+CCOCCCNC(=O)CCCOc1ccccc1,0,0.0,
+CCOCCCNC(=O)CCCn1nc(C)n2c(cc3sccc32)c1=O,0,0.0,
+CCOCCCNC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCOCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1,0,0.0,
+CCOCCCNC(=O)CCS(=O)(=O)Cc1ccc(C)cc1,0,0.0,
+CCOCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O,0,0.0,
+CCOCCCNC(=O)CN1C(=O)C(CC)Oc2ccccc21,0,0.0,
+CCOCCCNC(=O)CN1C(=O)CSc2cc(S(=O)(=O)N3CCCCCC3)ccc21,0,0.0,
+CCOCCCNC(=O)CN1C(=O)CSc2ccccc21,0,0.0,
+CCOCCCNC(=O)CN1C2CCC1CC(O)(c1ccc(OC)cc1)C2,0,0.0,
+CCOCCCNC(=O)CN1CCN(Cc2ccccc2C)C1=O,0,0.0,
+CCOCCCNC(=O)CN1CCN(c2ccc(F)cc2)CC1,0,0.0,
+CCOCCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C,0,0.0,
+CCOCCCNC(=O)CSc1ccccc1,0,0.0,
+CCOCCCNC(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12,0,0.0,
+CCOCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1,0,0.0,
+CCOCCCNC(=O)Cc1ccc(OC)c(OC)c1,0,0.0,
+CCOCCCNC(=O)Cn1cc2c(n1)CCCC2,0,0.0,
+CCOCCCNC(=O)Cn1cc2c(n1)CCCCC2,0,0.0,
+CCOCCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CCOCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21,0,0.0,
+CCOCCCNC(=O)N1CCOCC1,0,0.0,
+CCOCCCNC(=O)NC12CC3CC(CC(C3)C1)C2,1,100.0,0.0
+CCOCCCNC(=O)N[C@@H](C)C(=O)OC,0,0.0,
+CCOCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)OC,0,0.0,
+CCOCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C,0,0.0,
+CCOCCCNC(=O)c1c(-c2ccccc2)noc1C,0,0.0,
+CCOCCCNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C,0,0.0,
+CCOCCCNC(=O)c1c(C)c(C(=O)OCC)n(C)c1C,0,0.0,
+CCOCCCNC(=O)c1c[nH]c2cc(C)ccc2c1=O,0,0.0,
+CCOCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2c1=O,0,0.0,
+CCOCCCNC(=O)c1cc(C)nn1-c1ccccc1,0,0.0,
+CCOCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,0,0.0,
+CCOCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,0,0.0,
+CCOCCCNC(=O)c1cc2sc(Cl)cc2n1CC,0,0.0,
+CCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(C)cc2)o1,0,0.0,
+CCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1,0,0.0,
+CCOCCCNC(=O)c1ccc(OC(C)=O)cc1,0,0.0,
+CCOCCCNC(=O)c1ccc(OC)cc1,0,0.0,
+CCOCCCNC(=O)c1ccc(SC)cc1OC,0,0.0,
+CCOCCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S+]2[O-],0,0.0,
+CCOCCCNC(=O)c1ccc2c(c1)OCO2,0,0.0,
+CCOCCCNC(=O)c1ccc2c(c1)ncn2C1CCCC1,0,0.0,
+CCOCCCNC(=O)c1ccccc1Br,0,0.0,
+CCOCCCNC(=O)c1ccccc1SC,0,0.0,
+CCOCCCNC(=O)c1ccccc1SCC,0,0.0,
+CCOCCCNC(=O)c1cccs1,0,0.0,
+CCOCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O,0,0.0,
+CCOCCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12,0,0.0,
+CCOCCCNCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1,0,0.0,
+CCOCCCNCC(=O)NC1(C)C2CCC(C2)C1(C)C,0,0.0,
+CCOCCCNCC(=O)Nc1ccc(OC(F)(F)F)cc1,0,0.0,
+CCOCCCNCc1ccc(OC)c(OC)c1,0,0.0,
+CCOCCCNCc1cccc(OC)c1,0,0.0,
+CCOCCCNS(=O)(=O)Cc1ccccc1,0,0.0,
+CCOCCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2,0,0.0,
+CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,0,0.0,
+CCOCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC,0,0.0,
+CCOCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O,0,0.0,
+CCOCCCNS(=O)(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CCOCCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)OCC,0,0.0,
+CCOCCCNc1ccc(-c2ccccc2)nn1,0,0.0,
+CCOCCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12,1,100.0,0.0
+CCOCCCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+CCOCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+CCOCCCNc1nc2ccccc2[nH]1,0,0.0,
+CCOCCCNc1ncc2c(n1)CC(c1ccc(C)cc1)CC2=O,0,0.0,
+CCOCCCNc1ncnc2c1[nH]c1ccccc12,0,0.0,
+CCOCCCn1c(=N)c(C(=O)NCCN2CCOCC2)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCOCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21,1,100.0,1.0
+CCOCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21,1,100.0,0.0
+CCOCCCn1c(=N)c(C(=O)Nc2cc(C)on2)cc2c(=O)n3ccccc3nc21,0,0.0,
+CCOCCCn1c(=N)c(C(N)=S)cc2c(=O)n3cccc(C)c3nc21,1,100.0,0.0
+CCOCCCn1c(=NC(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,0,0.0,
+CCOCCCn1c(=NC(C)=O)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,0,0.0,
+CCOCCCn1c(=S)[nH]c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O,0,0.0,
+CCOCCCn1c(=S)[nH]c2cc(C(=O)N3CCN(C)CC3)ccc2c1=O,0,0.0,
+CCOCCCn1c(=S)[nH]c2cc(C(=O)N3CCOCC3)ccc2c1=O,0,0.0,
+CCOCCCn1c(=S)[nH]c2cc(C(=O)NCCN(CC)CC)ccc2c1=O,1,100.0,0.0
+CCOCCCn1c(=S)[nH]c2cc(C(=O)NCCOC)ccc2c1=O,0,0.0,
+CCOCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,0,0.0,
+CCOCCCn1c(=S)[nH]c2ncccc2c1=O,0,0.0,
+CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1,0,0.0,
+CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1,0,0.0,
+CCOCCCn1c(SCC(=O)NC(C)(C)C)nc2ccccc2c1=O,0,0.0,
+CCOCCCn1c(SCC(=O)NC(C)C)nc2ccccc2c1=O,0,0.0,
+CCOCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O,0,0.0,
+CCOCCCn1cnc2c([nH]c3cc(OC)ccc32)c1=O,0,0.0,
+CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1,0,0.0,
+CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1,0,0.0,
+CCOCCN(C(=O)COC)c1cccc(OC)c1,0,0.0,
+CCOCCN(C=O)c1cccc(OC)c1,0,0.0,
+CCOCCN1CCC(OC(C)=O)C(C)C1,0,0.0,
+CCOCCN1CCN(c2c(C)c(C)nc3cc(-c4cc(OC)cc(OC)c4)nn23)CC1,0,0.0,
+CCOCCN1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCC3)CC1,0,0.0,
+CCOCCNC(=O)c1ccccc1C(=O)NCCOCC,0,0.0,
+CCOCCOC(=O)C(C)Sc1n[nH]c(=O)[nH]c1=O,0,0.0,
+CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)c(O)c(OC)c1,0,0.0,
+CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)c(O)c(OCC)c1,0,0.0,
+CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1F,0,0.0,
+CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3cccs3)C2)C1c1ccsc1,0,0.0,
+CCOCCOC(=O)C1=C(C)Nc2ccc(C)cc2S1,0,0.0,
+CCOCCOC(=O)CCSc1n[nH]c(=O)[nH]c1=O,0,0.0,
+CCOCCOC(=O)COc1ccc(N2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+CCOCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2,0,0.0,
+CCOCCOC(=O)c1cccc(NC(=O)OCC)c1,0,0.0,
+CCOCCOCN(C#N)c1nc(OC)nc(N(C)C)n1,0,0.0,
+CCOCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CCOCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1,0,0.0,
+CCOCCSC1=C(C#N)C(c2cccs2)C(C(C)=O)=C(C)N1,0,0.0,
+CCOCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+CCOCCSc1nnc2nc(C)cc(C)n12,0,0.0,
+CCOCCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O,0,0.0,
+CCOCCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1,0,0.0,
+CCOCCc1nnc(NC(=O)COC)s1,0,0.0,
+CCOCCc1nnc(NC(=O)CSc2ccccc2)s1,0,0.0,
+CCOCCc1nnc(NC(=O)Cc2ccccc2)s1,0,0.0,
+CCOCCc1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1,0,0.0,
+CCOCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1,0,0.0,
+CCOCCc1nnc(NC(=O)c2cccc(F)c2)s1,0,0.0,
+CCOCCc1nnc(NC(=O)c2cccs2)s1,0,0.0,
+CCOCCn1c(-c2ccc(OC)cc2)nc2ccccc21,0,0.0,
+CCOCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O,0,0.0,
+CCOCCn1c(=O)c2c(nc3n2CCN3c2ccc(CC)cc2)n(C)c1=O,0,0.0,
+CCOCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O,0,0.0,
+CCOCCn1c(CCCO)nc2ccccc21,0,0.0,
+CCOCCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN2CCCC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C,1,100.0,
+CCOCCn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN2CCN(CC)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN2CCN(CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(COc2ccccc2)nc2ccccc21,0,0.0,
+CCOCCn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCOCCn1cnc2sc(C(=O)NCC(=O)OCC)c(C)c2c1=O,0,0.0,
+CCOCCn1cnc2sc(C(=O)Nc3nc(C)c(C(=O)OCC)s3)c(C)c2c1=O,0,0.0,
+CCOCN(C(=O)Cn1c(CO)nc2ccccc21)c1c(C)cccc1CC,0,0.0,
+CCOCc1cc(C)[nH]c(=O)c1C#N,0,0.0,
+CCOCc1cc(C2NC(=O)NC(C)=C2C(=O)OCC)ccc1OC,0,0.0,
+CCOCc1cnc(C)nc1NCC(=O)c1c(C)n(C)c2ccc(OC)cc12,0,0.0,
+CCOCc1nc(C)c(Cl)c(NS(=O)(=O)c2ccc(N)cc2)n1,0,0.0,
+CCOCc1nc(N)[nH]c(=O)c1Cc1ccc(OC(C)C)cc1,0,0.0,
+CCOCc1nnc(NC(=O)CCc2ccccc2)s1,0,0.0,
+CCOCc1nnc(NC(=O)COC)s1,0,0.0,
+CCOCc1nnc(NC(=O)CSCc2ccccc2)s1,0,0.0,
+CCOCc1nnc(NC(=O)CSc2ccccc2)s1,0,0.0,
+CCOCc1nnc(NC(=O)c2cccs2)s1,1,100.0,
+CCOCc1nnc(NS(C)(=O)=O)s1,0,0.0,
+CCOP(=O)(C#CC(C)(C)C)C(C)(O)c1ccccc1,0,0.0,
+CCOP(=O)(C#CC(C)(C)C)C(O)(c1ccccc1)C(F)(F)F,0,0.0,
+CCOP(=O)(C#CC(C)(C)C)C1(O)CCCCC1,0,0.0,
+CCOP(=O)(c1c(F)c(F)c(F)c(F)c1F)C(O)c1ccccc1,0,0.0,
+CCOP(=O)(c1c(F)c(F)c(F)c(F)c1F)C1(O)CCCCC1,0,0.0,
+CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl,0,0.0,
+CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(Cl)cc1,0,0.0,
+CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1OC,0,0.0,
+CCOP(=O)(c1ccccc1)C1(C#N)CCCC1,0,0.0,
+CCOP(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1N1CCCCC1,0,0.0,
+CCOP(=O)(c1ccccc1)c1nc(-c2ccccc2C)oc1N1CCCCC1,0,0.0,
+CCOP(=O)(c1ccccc1Cl)C1(O)CCCCC1,0,0.0,
+CCOP(=S)(OCC)c1ccc(N(C)C)cc1,0,0.0,
+CCOP(C)(=O)C1(C(=O)OCc2ccccc2)CC1,0,0.0,
+CCOP(C)(=S)SCC(=O)NC(C)(CC)C(=O)O,0,0.0,
+CCOP1(=O)C=C(C(C)(C)C)OC1c1ccc(F)cc1,0,0.0,
+CCOP1(=S)Oc2cc3c(cc2C(C(=O)OC)(C(F)(F)F)O1)OCO3,0,0.0,
+CCOP1(=S)c2c(C)nn(CCC#N)c2N=C(c2ccc(F)cc2)N1C,0,0.0,
+CCOP1(=S)c2c(C)nn(CCC#N)c2N=C(c2ccccc2F)N1C,0,0.0,
+CCOc1[nH]c(/N=C/c2ccco2)c(C#N)c1C#N,0,0.0,
+CCOc1c(Br)cc(C(N)=O)cc1OC,0,0.0,
+CCOc1c(Br)cc(C2NS(=O)(=O)N=C3CCCCCN32)cc1OC,0,0.0,
+CCOc1c(Br)cc(CNc2ncn[nH]2)cc1OC,0,0.0,
+CCOc1c(Br)ccc2c1sc1nc[nH]c(=O)c12,0,0.0,
+CCOc1c(C#N)c(C#N)c2nc(C)cc(C)n12,0,0.0,
+CCOc1c(C(N)=O)c(-c2ccccc2)c2c(=O)[nH]c3ccccc3n12,0,0.0,
+CCOc1c(C)cc(-c2ncccc2O)cc1C,0,0.0,
+CCOc1c(C)cc2[nH]c(CCC(=O)O)nc2c1C,0,0.0,
+CCOc1c(CNCCNC(=O)c2nonc2N)cccc1OC,0,0.0,
+CCOc1c(Cl)cc(C(=O)NCCN2CCCCC2)cc1Cl,0,0.0,
+CCOc1c(N2CCCCC2)c(=O)c1=O,0,0.0,
+CCOc1c(OC)cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccncc4)c32)cc1OC,0,0.0,
+CCOc1c(OC)cccc1C1CC(=O)Nc2cc(OC)c(OC)cc21,0,0.0,
+CCOc1c(OC)cccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,0,0.0,
+CCOc1c(P(=S)(N(C)C)N(C)C)c(C)nn1-c1ccccc1,0,0.0,
+CCOc1c(S(=O)(=O)N2CCCC2)ccc(Cl)c1Cl,0,0.0,
+CCOc1c2c(nc3ccc(Cl)cc13)CCC2,0,0.0,
+CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1O,0,0.0,
+CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3C)ccc1O,0,0.0,
+CCOc1cc(-c2c(C)c(C)nc(N)c2C#N)ccc1O,0,0.0,
+CCOc1cc(-c2c(C)c(CC)nc(N)c2C#N)ccc1O,0,0.0,
+CCOc1cc(-c2cc(-c3ccc(N)cc3)nc(N)c2C#N)ccc1O,0,0.0,
+CCOc1cc(-c2cc(N)n[nH]2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(-c2ccc(N)c(OCC)c2)ccc1N,0,0.0,
+CCOc1cc(-c2ccc3c(c2)OCO3)cc(=O)c2c(C)oc(C)c12,0,0.0,
+CCOc1cc(-c2ccccc2)nc(N)n1,0,0.0,
+CCOc1cc(-c2conc2N)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(-c2nc(-c3ccc(C)nc3OC)no2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(-c2nc(-c3ccc(C)nc3OCC)no2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(-c2nc(-c3ccc(OC)cc3)no2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(-c2nc(-c3ccccc3OC)no2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(-c2nc(-c3ccncc3)no2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(-c2nc3c(C)cccn3c2NCC2CCCO2)ccc1O.CNC,0,0.0,
+CCOc1cc(-c2nc3cc(C)ccn3c2NCC2CCCO2)ccc1O,0,0.0,
+CCOc1cc(-c2nc3ccccn3c2NCC2CCCO2)ccc1O,1,100.0,
+CCOc1cc(-c2nn3cnnc3s2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(-c2nnc(-c3ccco3)o2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(-c2noc(-c3cccnc3)n2)ccc1OC,0,0.0,
+CCOc1cc(-c2noc(-c3ccncc3)n2)cc(Br)c1OC,0,0.0,
+CCOc1cc(-c2noc(CCC(=O)N3CCOCC3)n2)ccc1OC,0,0.0,
+CCOc1cc(-c2noc(N)c2C(=O)OC)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(-n2cnnn2)c(OCC)cc1NC(=O)c1cnccn1,0,0.0,
+CCOc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)o1,0,0.0,
+CCOc1cc(/C=N/O)cc(Br)c1OC,0,0.0,
+CCOc1cc(/C=N/n2cnnc2)c(Br)cc1O,0,0.0,
+CCOc1cc(/C=N/n2cnnc2)cc(Br)c1O,0,0.0,
+CCOc1cc(/C=N/n2cnnc2)ccc1O,0,0.0,
+CCOc1cc(/C=N/n2cnnc2)ccc1OCC(=O)Nc1ccccc1OC,0,0.0,
+CCOc1cc(Br)c(C(=O)O)cc1OCC,0,0.0,
+CCOc1cc(C#N)c(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)cc1OCC,0,0.0,
+CCOc1cc(C#N)c(NC(=O)Cn2nnc3ccccc32)cc1OCC,0,0.0,
+CCOc1cc(C#N)c(NC(=O)c2cccnc2)cc1OCC,0,0.0,
+CCOc1cc(C#N)c(NC(=O)c2ccco2)cc1OCC,1,100.0,0.0
+CCOc1cc(C#N)c(NC(=O)c2ccnn2C)cc1OCC,0,0.0,
+CCOc1cc(C(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)ccc1NC(=O)CC,0,0.0,
+CCOc1cc(C(=O)N(C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)N(C)Cc2cc3ccccc3[nH]c2=O)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)N(C)c2ccccc2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)N2CCC3(CC2)OCCO3)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)N2CCCC2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)N2CCN=C2SC)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)N2CCOCC2)ccc1OCc1ccccc1,0,0.0,
+CCOc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)ccc1OC(F)F,0,0.0,
+CCOc1cc(C(=O)NC(C)COC)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)NC(C)c2ccncc2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)NC)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)NCC(C)CN(C)C)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)NCC2CCCO2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)NCCN2CCOCC2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)NCCOC)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)NCCOC)ccc1OC,0,0.0,
+CCOc1cc(C(=O)NCc2ccncc2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)NCc2nnc(SCC(=O)OC)n2C)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S+]([O-])C3)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)Nc2cc(C)ccn2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)Nc2cc(C)on2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OC(F)F,0,0.0,
+CCOc1cc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)Nc2ccon2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)Nc2cnccn2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)Nc2ncccn2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)Nc2nnc(C)s2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)O)cc(Cl)c1OCC#N,0,0.0,
+CCOc1cc(C(=O)OCC(=O)NCc2ccco2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1,0,0.0,
+CCOc1cc(C(=O)OCc2ccc(C(=O)OC)o2)cc(Br)c1OC,0,0.0,
+CCOc1cc(C(=S)N2CCN(C)CC2)ccc1OCC(=O)N1CCOCC1,0,0.0,
+CCOc1cc(C(=S)N2CCOCC2)ccc1O,0,0.0,
+CCOc1cc(C(C#N)N2CCOCC2)ccc1OC,0,0.0,
+CCOc1cc(C(N)=O)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1,0,0.0,
+CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1,0,0.0,
+CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCc1ccccn1,0,0.0,
+CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccc(C)n1,0,0.0,
+CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C,0,0.0,
+CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC,0,0.0,
+CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC1,0,0.0,
+CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCC1CCCO1,0,0.0,
+CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccco1,0,0.0,
+CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21,0,0.0,
+CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1nnc2ccccc21,0,0.0,
+CCOc1cc(C)c(S(=O)(=O)NC2CCCCC2)cc1C,0,0.0,
+CCOc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C,0,0.0,
+CCOc1cc(C)nc(N2CCC(C(=O)Nc3ccccc3OCC)CC2)n1,0,0.0,
+CCOc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3F)C2)n1,0,0.0,
+CCOc1cc(C)nc(N2CCN(C3CCCCC3)CC2)n1,1,100.0,1.0
+CCOc1cc(C)nc(NCCc2ccc(OC)c(OC)c2)n1,0,0.0,
+CCOc1cc(C)nc(Oc2ccc(=O)[nH]n2)n1,0,0.0,
+CCOc1cc(C2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCOC)ccc1O,0,0.0,
+CCOc1cc(C2/C(=C(\O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)ccc1O,0,0.0,
+CCOc1cc(C2C(C#N)=C(N)OC(C)=C2C(C)=O)cc(Br)c1O,0,0.0,
+CCOc1cc(C2C(C#N)=C(N)OC3CCCC(=O)C32)ccc1OCCN1CCOCC1,0,0.0,
+CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1O,0,0.0,
+CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCCN1CCOCC1,0,0.0,
+CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(CC)c32)ccc1OCCN1CCOCC1,0,0.0,
+CCOc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)ccc1OCCN1CCOCC1,0,0.0,
+CCOc1cc(C2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O,0,0.0,
+CCOc1cc(C2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O,0,0.0,
+CCOc1cc(C2C(C(=O)O)c3cc(OCC)c(OCC)cc3C(=O)N2C)ccc1O,0,0.0,
+CCOc1cc(C2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O,0,0.0,
+CCOc1cc(C2C(C(=O)OC)=C(C)N=C3SC(C)C(=O)N32)ccc1OC(C)=O,0,0.0,
+CCOc1cc(C2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O,0,0.0,
+CCOc1cc(C2C(C(=O)OC)=CN(C3CCCC3)C=C2C(=O)OC)cc(Br)c1O,0,0.0,
+CCOc1cc(C2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O,0,0.0,
+CCOc1cc(C2C(C(=O)c3ccc(C)cc3)=C(C(=O)OC)Nc3nnnn32)ccc1O,0,0.0,
+CCOc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCc2ccccc2)ccc1O,0,0.0,
+CCOc1cc(C2C(C(=O)c3ccccc3)=C(C(=O)OC)Nc3nnnn32)ccc1O,0,0.0,
+CCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)ccc1O,0,0.0,
+CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1O,0,0.0,
+CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1O,0,0.0,
+CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCCO,0,0.0,
+CCOc1cc(C2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)ccc1O,0,0.0,
+CCOc1cc(C2CC(=O)NC(SCC)=C2C#N)ccc1O,0,0.0,
+CCOc1cc(C2CC(=O)NC3=C2C(=O)C(C(=O)OC)C(C)C3)cc(Br)c1O,0,0.0,
+CCOc1cc(C2CC(=O)NC3=C2C(=O)C(C(=O)OC)C(C)C3)cc(Cl)c1O,0,0.0,
+CCOc1cc(C2CC(=O)Nc3cc(C)c(C)cc32)ccc1O,0,0.0,
+CCOc1cc(C2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1O,0,0.0,
+CCOc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)CC)cc(Br)c1O,0,0.0,
+CCOc1cc(C2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)ccc1O,0,0.0,
+CCOc1cc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccc(Cl)cc2)ccc1O,0,0.0,
+CCOc1cc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccc(OC)cc2)ccc1O,0,0.0,
+CCOc1cc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccccc2)ccc1OC,0,0.0,
+CCOc1cc(C2NCc3ccccc3-n3cccc32)ccc1O,0,0.0,
+CCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1O,0,0.0,
+CCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2OC)ccc1O,0,0.0,
+CCOc1cc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(Br)cc2)ccc1O,0,0.0,
+CCOc1cc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)ccc1O,0,0.0,
+CCOc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O,0,0.0,
+CCOc1cc(CN2CCCCC2)ccc1OC,0,0.0,
+CCOc1cc(CN2CCN(C(=O)CC(C)C)CC2)ccc1OC,0,0.0,
+CCOc1cc(CN2CCN(C(=O)c3ccco3)CC2)ccc1OC,0,0.0,
+CCOc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)ccc1OC,0,0.0,
+CCOc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1O,0,0.0,
+CCOc1cc(CN2CCOCC2)cc(C(C)=O)c1,0,0.0,
+CCOc1cc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)ccc1OC,0,0.0,
+CCOc1cc(CNCC2CCCO2)cc(Br)c1OCC(N)=O,0,0.0,
+CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCC(=O)NC(C)(C)C,0,0.0,
+CCOc1cc(CNc2ccccc2SC)ccc1O,0,0.0,
+CCOc1cc(CNc2ncc(-c3ccc(OC)cc3)n2C)ccc1O,0,0.0,
+CCOc1cc(CNc2ncnc3nc[nH]c23)ccc1OC,0,0.0,
+CCOc1cc(CNn2cnnc2)ccc1OCC(=O)NC1CCCCC1,0,0.0,
+CCOc1cc(CO)ccc1OCC(=O)N1CCCCC1,0,0.0,
+CCOc1cc(N2C(=O)CC3CS(=O)(=O)CC32)c(OCC)cc1NC(=O)c1ccccc1,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(NC(=O)c1ccco1)C(C)C,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCC1CCCC1,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)NC(Cc2ccccc2)C1=O,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCc2ccccc2C1,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1cc(C)oc1C,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1cccc[n+]1[O-],0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1ccc(OC)c(OC)c1,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1cn2ccsc2n1,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(-c2ccco2)nc2ccccc12,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1nc2nc(C)cc(C)n2n1,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1nc2nccc(C)n2n1,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NC1=NCCCCC1,0,0.0,
+CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(Cl)s1,0,0.0,
+CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1ccccn1,0,0.0,
+CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1cccnc1,0,0.0,
+CCOc1cc(NC(=O)C2CCCCC2)c(OCC)cc1NC(=O)c1ccco1,0,0.0,
+CCOc1cc(NC(=O)C2CCCO2)c(OCC)cc1NC(=O)C1CC1,0,0.0,
+CCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)CC(C)C,0,0.0,
+CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCC(=O)NCc1cccnc1,0,0.0,
+CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCc1ccc(OC)cc1,0,0.0,
+CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCc1ccccc1OC,0,0.0,
+CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)COc1ccccc1,0,0.0,
+CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)COc1ccccc1C,0,0.0,
+CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)Cc1ccc(OC)c(OC)c1,0,0.0,
+CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)Cc1cccc(OC)c1,0,0.0,
+CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CCOc1cc(NC(=O)c2cnccn2)c(OCC)cc1NC(=O)c1ccc(OC)cc1,0,0.0,
+CCOc1cc(NC2CS(=O)(=O)CC2O)c(OCC)cc1NC(=O)c1ccccc1,1,100.0,
+CCOc1cc(NS(=O)(=O)CC)c(OCC)cc1NC(=O)c1ccco1,0,0.0,
+CCOc1cc(NS(C)(=O)=O)c(OCC)cc1NC(=O)c1cccs1,0,0.0,
+CCOc1cc(OCC)cc(C(=O)Nc2cccnc2)c1,0,0.0,
+CCOc1cc(S(=O)(=O)N(CC)CC)ccc1Br,0,0.0,
+CCOc1cc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)c(OCC)cc1-n1cnnn1,0,0.0,
+CCOc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(OCC)cc1-n1cnnn1,0,0.0,
+CCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl,0,0.0,
+CCOc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br,0,0.0,
+CCOc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(OCC)cc1-n1cnnn1,0,0.0,
+CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1F,0,0.0,
+CCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1F,0,0.0,
+CCOc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl,0,0.0,
+CCOc1cc(S(=O)(=O)NC2CCCCCC2)ccc1F,0,0.0,
+CCOc1cc(S(=O)(=O)NCC2OCCc3ccccc32)c(OCC)cc1-n1cnnn1,0,0.0,
+CCOc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)cc1C,0,0.0,
+CCOc1cc(S(=O)(=O)NCCc2cccc(C)c2)c(OCC)cc1-n1cnnn1,0,0.0,
+CCOc1cc(S(=O)(=O)NCCc2ccccc2C)c(OCC)cc1-n1cnnn1,0,0.0,
+CCOc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)cc1C,0,0.0,
+CCOc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1F,0,0.0,
+CCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1F,0,0.0,
+CCOc1cc(S(=O)(=O)NCc2ccccn2)c(C)cc1C,0,0.0,
+CCOc1cc(S(=O)(=O)NCc2ccco2)c(OCC)cc1-n1cnnn1,0,0.0,
+CCOc1cc(S(=O)(=O)NCc2cccs2)ccc1Cl,0,0.0,
+CCOc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1F,0,0.0,
+CCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1F,0,0.0,
+CCOc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F,0,0.0,
+CCOc1cc(S(=O)(=O)n2cc(-c3ccc(F)cc3)c(N)n2)cc(OCC)c1OCC,0,0.0,
+CCOc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1F,1,100.0,0.0
+CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccco2)ccc1O,0,0.0,
+CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)NC(C)CC)CC3)c(=O)c2cc1OCC,1,100.0,
+CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)NC4CCCCC4)CC3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)NCCC(C)C)CC3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)NCCCOC)CC3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCC(=O)N3CCN(c4ccccc4OC)CC3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCC(=O)NCCc3ccccc3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCCC(=O)O)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCCCC(=O)N3CCCCCC3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCCCC(=O)NC3CCCCC3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCCCC(=O)NC3CCCCCC3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCCCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCCN3CCCC3=O)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(CCc3ccc(OC)c(OC)c3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NCCOC)cc3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=O)n(Cc3cccc(OC)c3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=S)n(CC3CCCN3CC)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=S)n(CC3CCCO3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=S)n(CCCC(=O)N3CCC4(CC3)OCCO4)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=S)n(CCCC(=O)NCc3ccco3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=S)n(CCCCC(=O)NCc3ccco3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=S)n(CCCN3CCCC3=O)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=S)n(CCCN3CCN(C)CC3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=S)n(CCCN3CCOCC3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=S)n(CCCOC)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=S)n(CCOC)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2[nH]c(=S)n(Cc3ccc(C)o3)c(=O)c2cc1OCC,0,0.0,
+CCOc1cc2c(C#N)c(N3CCOCC3)nc(N)c2c(N)n1,0,0.0,
+CCOc1cc2c(C)cc(=O)oc2cc1Cl,0,0.0,
+CCOc1cc2c(cc1C(C)(C)C)NC(=O)CS2,0,0.0,
+CCOc1cc2c(cc1OCC)C(C(=O)O)C(c1cc(Br)c(O)c(OC)c1)N(C)C2=O,0,0.0,
+CCOc1cc2c(cc1OCC)C(C(=O)O)C(c1cc(OC)c(OC)c(OC)c1)N(C)C2=O,0,0.0,
+CCOc1cc2c(cc1OCC)C(c1cc(OC)c(O)c(OC)c1)NCC2,0,0.0,
+CCOc1cc2c(cc1OCC)C(c1ccc(O)c(OC)c1)NCC2,0,0.0,
+CCOc1cc2c3c(c1)C1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2cc(O)ccc21,0,0.0,
+CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3CCOCC3)c2cc1OC,0,0.0,
+CCOc1cc2oc(=O)c3c(c2cc1Cl)CCC3,0,0.0,
+CCOc1ccc(-c2[nH]nc3c2C(c2ccc(O)cc2)C(C#N)=C(N)O3)cc1,0,0.0,
+CCOc1ccc(-c2[nH]nc3c2C(c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1OC,0,0.0,
+CCOc1ccc(-c2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)cc1,0,0.0,
+CCOc1ccc(-c2[nH]ncc2-c2ccc(OC)c(OC)c2)c(O)c1,0,0.0,
+CCOc1ccc(-c2[nH]ncc2Oc2cccc(OC)c2)c(O)c1,0,0.0,
+CCOc1ccc(-c2[nH]ncc2Oc2ccccc2OC)c(O)c1,0,0.0,
+CCOc1ccc(-c2[nH]ncc2Oc2ccccc2OCC)c(O)c1,0,0.0,
+CCOc1ccc(-c2c(C#N)c(N)nc3c2c(=O)n(C)c(=O)n3C)cc1OC,0,0.0,
+CCOc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1,0,0.0,
+CCOc1ccc(-c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)cc1,0,0.0,
+CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1,0,0.0,
+CCOc1ccc(-c2cc(C(=O)NCCCN3CCN(CC)CC3)c3ccccc3n2)cc1,0,0.0,
+CCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)c(OCC)c1,0,0.0,
+CCOc1ccc(-c2cc(CCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1,0,0.0,
+CCOc1ccc(-c2cc(CCCC(=O)NCCCOC)no2)cc1,0,0.0,
+CCOc1ccc(-c2cc(CCCC(=O)NCCc3ccc(OC)c(OC)c3OC)no2)cc1,0,0.0,
+CCOc1ccc(-c2cc(CCCC(=O)NCc3cccnc3)no2)cc1,0,0.0,
+CCOc1ccc(-c2cc(CCCC(=O)NCc3ccco3)no2)cc1,0,0.0,
+CCOc1ccc(-c2cc(CCCC(=O)Nc3cc(OC)ccc3OC)no2)cc1,0,0.0,
+CCOc1ccc(-c2cc(CCCC(=O)Nc3cccc(OC)c3)no2)cc1,0,0.0,
+CCOc1ccc(-c2cc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)on2)cc1OCC,0,0.0,
+CCOc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)O)cn3n2)cc1,0,0.0,
+CCOc1ccc(-c2cn(CCC#N)cn2)cc1,1,100.0,
+CCOc1ccc(-c2cn(S(=O)(=O)c3cccc4nsnc34)nc2N)cc1,0,0.0,
+CCOc1ccc(-c2cnc(SCC(N)=O)nc2N)cc1,0,0.0,
+CCOc1ccc(-c2csc(NC(=O)C3CCCO3)n2)cc1,0,0.0,
+CCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2OC)c(O)c1,0,0.0,
+CCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(OC)cc2)c(O)c1,0,0.0,
+CCOc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OC)c(O)c1,0,0.0,
+CCOc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nc(-c3ccccc3)no2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nc(-c3ccccc3C)no2)cc1,0,0.0,
+CCOc1ccc(-c2nc(-c3ccncc3)no2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nc(=S)[nH][nH]2)cc1,1,100.0,0.0
+CCOc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc(C#N)c(N3CCN(CC)CC3)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc(C#N)c(NC3CC3)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc(C#N)c(NCC(C)C)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc(CSCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc(CSCC(=O)N3CCN(c4cccc(OC)c4)CC3)c(C)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc(CSCC(=O)NCCN3CCOCC3)c(C)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc(CSCC(=O)NCc3ccco3)c(C)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc(CSc3nncs3)cs2)cc1OC,0,0.0,
+CCOc1ccc(-c2nc(N)nc(C)c2-c2ccc(OC)c(OC)c2)c(O)c1,0,0.0,
+CCOc1ccc(-c2nc(N)ncc2-c2ccccc2)c(O)c1,0,0.0,
+CCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3cccnc3)o2)cc1,0,0.0,
+CCOc1ccc(-c2nc3n(c(=O)c2C#N)CCCS3)cc1,0,0.0,
+CCOc1ccc(-c2ncncc2-c2ccc(OC)cc2)c(O)c1,0,0.0,
+CCOc1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1,0,0.0,
+CCOc1ccc(-c2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1,0,0.0,
+CCOc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,0,0.0,
+CCOc1ccc(-c2nn[nH]n2)cc1,0,0.0,
+CCOc1ccc(-c2nnc(-c3cccnc3)o2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+CCOc1ccc(-c2nnc(-c3ccco3)o2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nnc(-c3cccs3)o2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1,0,0.0,
+CCOc1ccc(-c2nnc(-c3snc(-c4ccc(F)cc4)c3N=CN(C)C)o2)cc1,0,0.0,
+CCOc1ccc(-c2nnc(N(CC)C(=O)C3CCC3)s2)cc1,0,0.0,
+CCOc1ccc(-c2nnc(N)o2)cc1,0,0.0,
+CCOc1ccc(-c2nnc(N)s2)cc1,0,0.0,
+CCOc1ccc(-c2nnc(NC(=O)CCCOc3cccc(C)c3)o2)cc1,0,0.0,
+CCOc1ccc(-c2nnc(NC(=O)c3ccc(OCC(C)C)c(OC)c3)o2)cc1,0,0.0,
+CCOc1ccc(-c2nnc(SCC(=O)N(CC)CC)n2N)cc1,0,0.0,
+CCOc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1,0,0.0,
+CCOc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2-c2ccccc2F)cc1,0,0.0,
+CCOc1ccc(-c2nnc3ccc(SC)nn23)cc1,0,0.0,
+CCOc1ccc(-c2nnc3ccc(SCC(=O)N4CCCCC4)nn23)cc1,0,0.0,
+CCOc1ccc(-c2nnc3ccc(SCC(=O)N4CCN(c5ccccc5)CC4)nn23)cc1,0,0.0,
+CCOc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1,0,0.0,
+CCOc1ccc(-c2nnc3ccc(SCc4ccc(C(=O)OC)o4)nn23)cc1,1,100.0,1.0
+CCOc1ccc(-c2nnc3n2N=C(c2ccc(OC)cc2)CS3)cc1,0,0.0,
+CCOc1ccc(-c2nnc3sc(-c4c(OC)cccc4OC)nn23)cc1,0,0.0,
+CCOc1ccc(-c2nnc3sc(-c4ccccc4OC)nn23)cc1,0,0.0,
+CCOc1ccc(-c2nnc3sc(COc4ccc(C)cc4)nn23)cc1,0,0.0,
+CCOc1ccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)cc1,0,0.0,
+CCOc1ccc(-c2nnc3sc(COc4ccccc4)nn23)cc1,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)NCc3ccc(OC)cc3)n2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)NCc3cccs3)n2)cc1,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)cc(OC)c3)n2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)ccc3OC)n2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)Nc3cccc(OC)c3)n2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3OC)n2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)c3cc(OC)ccc3OC)n2)cc1,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1,0,0.0,
+CCOc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1OCC,0,0.0,
+CCOc1ccc(-c2nnn(CCC(=O)O)n2)cc1OC,0,0.0,
+CCOc1ccc(-c2noc(-c3cccnc3)n2)cc1OC,0,0.0,
+CCOc1ccc(-c2noc(-c3ccncc3)n2)cc1OCC,0,0.0,
+CCOc1ccc(-c2noc(=O)[nH]2)cc1,0,0.0,
+CCOc1ccc(-c2noc(CCC(=O)O)n2)cc1,1,100.0,0.0
+CCOc1ccc(-c2noc(COC)n2)cc1OC,0,0.0,
+CCOc1ccc(-n2c(-c3ccco3)n[nH]c2=S)cc1,0,0.0,
+CCOc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCCc4ccccc43)c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NCc3ccco3)c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)NCc3ccco3)c2=O)CCC4)cc1,0,0.0,
+CCOc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(=O)cc(N3CCN(c4ccc(F)cc4)CC3)[nH]c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4)CC3)[nH]c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCC(=O)NCc4ccco4)nc32)cc1,0,0.0,
+CCOc1ccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(C)nc3cc(C(=O)NCCCN4CCOCC4)ccc32)cc1,0,0.0,
+CCOc1ccc(-n2c(C)nc3cc(C(=O)NCc4ccco4)ccc32)cc1,0,0.0,
+CCOc1ccc(-n2c(CC)nc3ccccc3c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(N)=O)cc1,0,0.0,
+CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C(=O)OC)cc1,0,0.0,
+CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)cc1,0,0.0,
+CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCC2)cc1,0,0.0,
+CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)OC)cc1,0,0.0,
+CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(N)=O)cc1,0,0.0,
+CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC)cc1,0,0.0,
+CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccnc2)cc1,0,0.0,
+CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(-n2c(O)c(C=NCCN(CC)CC)c(=O)[nH]c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(O)c(C=NCCN3CCNCC3)c(=O)[nH]c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(O)c(C=Nc3ccc(N(CC)CC)cc3)c(=O)[nH]c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(O)c(C=Nc3ccc(N4CCOCC4)cc3)c(=O)[nH]c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(SC(C)C(=O)OC)nc3c(c2=O)SCC3)cc1,0,0.0,
+CCOc1ccc(-n2c(SC(C)C)nc3c(c2=O)SCC3)cc1,0,0.0,
+CCOc1ccc(-n2c(SC)nc3c(c2=O)SCC3)cc1,0,0.0,
+CCOc1ccc(-n2c(SCC(=O)NC(C)CC)nc3n[nH]c(C)c3c2=N)cc1,0,0.0,
+CCOc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3c([nH]c4ccccc43)c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3c(c2=O)SCC3)cc1,0,0.0,
+CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c([nH]c4ccccc43)c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3)nc3c(c2=O)SCC3)cc1,0,0.0,
+CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3OC)nc3c(c2=O)SCC3)cc1,0,0.0,
+CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3c(c2=O)SCC3)cc1,0,0.0,
+CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3c(c2=O)SCC3)cc1,0,0.0,
+CCOc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SCC3)cc1,0,0.0,
+CCOc1ccc(-n2c(SCC(N)=O)nc3c([nH]c4ccccc43)c2=O)cc1,0,0.0,
+CCOc1ccc(-n2c(SCC(N)=O)nc3c(c2=O)SCC3)cc1,0,0.0,
+CCOc1ccc(-n2c(SCC)nc3c(c2=O)SCC3)cc1,0,0.0,
+CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccnc2)cc1,0,0.0,
+CCOc1ccc(-n2c(SCc3ccc(C(=O)OC)o3)nc3c(c2=O)SCC3)cc1,0,0.0,
+CCOc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccncc2)cc1,0,0.0,
+CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)cc1,0,0.0,
+CCOc1ccc(-n2cc(C(=O)N3CCC(C)CC3)c3cc(OC)c(OC)cc3c2=O)cc1,0,0.0,
+CCOc1ccc(-n2cc(C(=O)N3CCCCCC3)c3cc(OC)c(OC)cc3c2=O)cc1,0,0.0,
+CCOc1ccc(-n2cc(C(=O)N3CCN(C)CC3)c3cc(OC)c(OC)cc3c2=O)cc1,0,0.0,
+CCOc1ccc(-n2cc(C(=O)NCc3ccco3)c3cc(OC)c(OC)cc3c2=O)cc1,0,0.0,
+CCOc1ccc(-n2cc(C(=O)Nc3cccc(C)n3)c3cc(OC)c(OC)cc3c2=O)cc1,0,0.0,
+CCOc1ccc(-n2ccnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+CCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)cc1,0,0.0,
+CCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(CC)s2)cc1,0,0.0,
+CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)NCCc1ccc(OC)c(OC)c1,0,0.0,
+CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)NCc1ccccc1,0,0.0,
+CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)Nc1c(C)cccc1C,0,0.0,
+CCOc1ccc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)cc1,0,0.0,
+CCOc1ccc(-n2nc(C(=O)NCCOC)c3ccccc3c2=O)cc1,0,0.0,
+CCOc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1,0,0.0,
+CCOc1ccc(-n2nnc3c(=O)n(CC(=O)c4ccccc4)cnc32)cc1,0,0.0,
+CCOc1ccc(-n2nnnc2SCC(=O)c2ccccc2)cc1,0,0.0,
+CCOc1ccc(/C(=N\O)C(C)NO)cc1,0,0.0,
+CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CC3CCCO3)C2c2ccc(C)o2)cc1,0,0.0,
+CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2cccs2)cc1Cl,0,0.0,
+CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccccc2)cc1Cl,0,0.0,
+CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(CC)CC)C2c2ccco2)cc1,0,0.0,
+CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)C2c2ccc(F)cc2)cc1,0,0.0,
+CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)C2c2ccccc2)cc1,0,0.0,
+CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)C2c2ccccn2)cc1,0,0.0,
+CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)C2c2cccnc2)cc1,0,0.0,
+CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(N(C)C)cc2)c(C)c1,0,0.0,
+CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)C2c2ccc(C(=O)OC)cc2)cc1,0,0.0,
+CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)C2c2ccco2)cc1,0,0.0,
+CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cc(OC)ccc2OC)cc1Cl,0,0.0,
+CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)cc1Cl,0,0.0,
+CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2ccccc2OC)cc1,0,0.0,
+CCOc1ccc(/C=C\C(C)=N\O)cc1,0,0.0,
+CCOc1ccc(/C=N/n2cnnc2)cc1,0,0.0,
+CCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC,0,0.0,
+CCOc1ccc(Br)c(C2(O)CC(C)N(C)CC2C)c1,0,0.0,
+CCOc1ccc(Br)cc1-c1noc(-c2cccs2)n1,0,0.0,
+CCOc1ccc(Br)cc1/C=N/O,0,0.0,
+CCOc1ccc(Br)cc1C1NC(=O)c2c(sc3c2CCN(C)C3)N1,0,0.0,
+CCOc1ccc(Br)cc1CC(=O)O,0,0.0,
+CCOc1ccc(Br)cc1S(=O)(=O)N1CC(C)OC(C)C1,0,0.0,
+CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+CCOc1ccc(C(=O)C(c2ccccc2)N2CCOCC2)cc1,0,0.0,
+CCOc1ccc(C(=O)C2CCN(C(=O)c3ccccc3C(=O)O)CC2)cc1,0,0.0,
+CCOc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3N3CCOCC3)CC2)cc1,0,0.0,
+CCOc1ccc(C(=O)CCN2CCCCC2)cc1,0,0.0,
+CCOc1ccc(C(=O)CCN2CCCCCC2)cc1,1,100.0,0.0
+CCOc1ccc(C(=O)CCNC(Cc2cnc[nH]2)C(=O)O)cc1,0,0.0,
+CCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1,0,0.0,
+CCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,0,0.0,
+CCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1,0,0.0,
+CCOc1ccc(C(=O)COC(=O)CC)cc1,0,0.0,
+CCOc1ccc(C(=O)COC(C)=O)cc1,0,0.0,
+CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1,0,0.0,
+CCOc1ccc(C(=O)Cc2ccc3oc(C(=O)O)cc3c2)c(O)c1,0,0.0,
+CCOc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(C)cc2)cc1,0,0.0,
+CCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1,0,0.0,
+CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CCOc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1,0,0.0,
+CCOc1ccc(C(=O)N2CCCC2)cc1OC,0,0.0,
+CCOc1ccc(C(=O)N2CCCC2C(=O)O)cc1,0,0.0,
+CCOc1ccc(C(=O)N2CCCCCC2)cc1,0,0.0,
+CCOc1ccc(C(=O)N2CCCN(C(=O)c3ccc(OCC)cc3)CC2)cc1,0,0.0,
+CCOc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1,0,0.0,
+CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)N2CCN=C2SC)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)NC2CCN(C(=O)NCc3ccccc3)CC2)cc1,0,0.0,
+CCOc1ccc(C(=O)NC2CCN(S(=O)(=O)CC)CC2)cc1,0,0.0,
+CCOc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+CCOc1ccc(C(=O)NCC(=O)OC(C)C(=O)NCc2ccco2)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)NCC(C)CN(C)C)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)NCC2CCCO2)cc1,0,0.0,
+CCOc1ccc(C(=O)NCCC(=O)NCCCC(=O)O)cc1,0,0.0,
+CCOc1ccc(C(=O)NCCCN(CC)CC)cc1,0,0.0,
+CCOc1ccc(C(=O)NCCCn2ccnc2)cc1,0,0.0,
+CCOc1ccc(C(=O)NCCN(C)C)cc1,0,0.0,
+CCOc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3cc(C)on3)c3ccccc32)cc1,0,0.0,
+CCOc1ccc(C(=O)NCc2ccccn2)cc1,0,0.0,
+CCOc1ccc(C(=O)NCc2cccnc2)cc1,0,0.0,
+CCOc1ccc(C(=O)NCc2ccco2)cc1,0,0.0,
+CCOc1ccc(C(=O)NCc2cccs2)cc1,0,0.0,
+CCOc1ccc(C(=O)NCc2ccncc2)cc1,0,0.0,
+CCOc1ccc(C(=O)NCc2ccncc2)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1,0,0.0,
+CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S+]([O-])C3)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S+]([O-])C3)cc1,0,0.0,
+CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S+]([O-])C3)cc1,0,0.0,
+CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S+]([O-])C3)cc1,0,0.0,
+CCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1,0,0.0,
+CCOc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1,0,0.0,
+CCOc1ccc(C(=O)Nc2cc(C)on2)cc1,0,0.0,
+CCOc1ccc(C(=O)Nc2cc(C)on2)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1,0,0.0,
+CCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl,0,0.0,
+CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,0,0.0,
+CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Br,1,100.0,1.0
+CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1OC,0,0.0,
+CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)Nc2cccc(C)n2)cc1,0,0.0,
+CCOc1ccc(C(=O)Nc2cccnc2)cc1Br,0,0.0,
+CCOc1ccc(C(=O)Nc2ccncc2)cc1,0,0.0,
+CCOc1ccc(C(=O)Nc2nnc(C)s2)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)Nc2nncs2)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)Nc2nnn(CC)n2)cc1,0,0.0,
+CCOc1ccc(C(=O)Nn2cnnc2)cc1,0,0.0,
+CCOc1ccc(C(=O)O)cc1OC,0,0.0,
+CCOc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)OCC(=O)Nc2nc(OC)cc(OC)n2)cc1OCC,0,0.0,
+CCOc1ccc(C(=O)OCc2nnc(-c3cccs3)o2)cc1OC,0,0.0,
+CCOc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1OC,0,0.0,
+CCOc1ccc(C(=O)c2ccc(OCC)c(N)c2)cc1N,0,0.0,
+CCOc1ccc(C(=O)c2cccs2)cc1,0,0.0,
+CCOc1ccc(C(=O)c2ccncc2)cc1,0,0.0,
+CCOc1ccc(C(=S)N2CCOCC2)cc1,0,0.0,
+CCOc1ccc(C(C#N)N2CCOCC2)cc1OC,0,0.0,
+CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+CCOc1ccc(C(C)(N)C(=O)O)cc1,0,0.0,
+CCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2C)C1=O,0,0.0,
+CCOc1ccc(C(C)=O)cc1COC(=O)C1=COCCO1,0,0.0,
+CCOc1ccc(C(C)=O)cc1COc1ccc(-n2cnnn2)cc1,0,0.0,
+CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1CC1CCCO1,0,0.0,
+CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccoc2C)n1N,0,0.0,
+CCOc1ccc(C(C)=O)cc1Cn1nc(C(=O)O)c2ccccc2c1=O,0,0.0,
+CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1,0,0.0,
+CCOc1ccc(C(C)C)cc1S(=O)(=O)n1nc(C)cc1C,0,0.0,
+CCOc1ccc(C(C)NC(=O)CCC(=O)O)cc1,0,0.0,
+CCOc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1,0,0.0,
+CCOc1ccc(C(CC(=O)O)NC(=O)c2ccco2)cc1OC,0,0.0,
+CCOc1ccc(C(CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1OC,0,0.0,
+CCOc1ccc(C(F)(F)F)cc1NC(C)=O,0,0.0,
+CCOc1ccc(C(N)=O)cc1OC,0,0.0,
+CCOc1ccc(C(O)c2nccn2Cc2ccccc2)cc1,0,0.0,
+CCOc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+CCOc1ccc(C)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+CCOc1ccc(C)cc1S(=O)(=O)NC1CCCCC1,0,0.0,
+CCOc1ccc(C)cc1S(=O)(=O)Nc1cc(OC)c(Cl)cc1OC,0,0.0,
+CCOc1ccc(C)cc1S(=O)(=O)Nc1cccnc1,0,0.0,
+CCOc1ccc(C)cc1S(=O)(=O)n1ccc(C)n1,0,0.0,
+CCOc1ccc(C)cc1S(=O)(=O)n1ccnc1,0,0.0,
+CCOc1ccc(C2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN(C)C)cc1OC,0,0.0,
+CCOc1ccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1,0,0.0,
+CCOc1ccc(C2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC,0,0.0,
+CCOc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1OC,0,0.0,
+CCOc1ccc(C2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1,0,0.0,
+CCOc1ccc(C2/C(=C(\O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1OC,0,0.0,
+CCOc1ccc(C2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1OC,0,0.0,
+CCOc1ccc(C2=CS/C(=C(\C#N)c3nnc4n3CCCCC4)N2CC)cc1,0,0.0,
+CCOc1ccc(C2=Nn3c(nnc3-c3ccc(OC)cc3)SC2)cc1,0,0.0,
+CCOc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1Cl,0,0.0,
+CCOc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1,0,0.0,
+CCOc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1,1,100.0,0.0
+CCOc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1,0,0.0,
+CCOc1ccc(C2=Nn3cnnc3SC2)cc1,0,0.0,
+CCOc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1,1,100.0,
+CCOc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2CC2CCCO2)cc1OC,0,0.0,
+CCOc1ccc(C2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1,0,0.0,
+CCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1OCC,0,0.0,
+CCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OCC,0,0.0,
+CCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1OC,0,0.0,
+CCOc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC(=O)C1CC1,0,0.0,
+CCOc1ccc(C2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1OC,0,0.0,
+CCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c(OCC)c1,0,0.0,
+CCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OC,0,0.0,
+CCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OCC,0,0.0,
+CCOc1ccc(C2C(C(=O)NC)=C(C)Nc3nc4ccccc4n32)cc1OC,1,100.0,
+CCOc1ccc(C2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc(CCCO)nn32)cc1,0,0.0,
+CCOc1ccc(C2C(C(=O)O)c3ccccc3C(=O)N2CCN2CCOCC2)cc1,0,0.0,
+CCOc1ccc(C2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OCC,0,0.0,
+CCOc1ccc(C2C(C(=O)OC)=CN(CCOC)C=C2C(=O)OC)cc1,0,0.0,
+CCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(CC)CC)cc1,0,0.0,
+CCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC,0,0.0,
+CCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC,0,0.0,
+CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1,0,0.0,
+CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1,0,0.0,
+CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1OC,0,0.0,
+CCOc1ccc(C2C3=C(CCCC3=O)Nc3nc(C(F)(F)F)nn32)cc1OC,0,0.0,
+CCOc1ccc(C2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1,0,0.0,
+CCOc1ccc(C2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1,0,0.0,
+CCOc1ccc(C2C=C(c3ccc(F)cc3)Nc3ncnn32)cc1,0,0.0,
+CCOc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1,0,0.0,
+CCOc1ccc(C2C=C(c3ccccc3)Nc3nnnn32)cc1,0,0.0,
+CCOc1ccc(C2CC(=O)NC(SC)=C2C#N)cc1,0,0.0,
+CCOc1ccc(C2CC(=O)NC(SCC(=O)OC)=C2C#N)cc1,0,0.0,
+CCOc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1,0,0.0,
+CCOc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1Cl,0,0.0,
+CCOc1ccc(C2CC(=O)c3c([nH]c(C(=O)OC)c3C)C2)cc1OC,0,0.0,
+CCOc1ccc(C2CC(c3ccc(Br)cc3)Nc3nc(N)nn32)cc1,0,0.0,
+CCOc1ccc(C2CC(c3ccc(CC)cc3)Nc3nc(N)nn32)cc1,0,0.0,
+CCOc1ccc(C2CC(c3ccc(CC)cc3)n3nc(N)nc3N2)cc1,0,0.0,
+CCOc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1,0,0.0,
+CCOc1ccc(C2CC(c3ccc(F)cc3)n3ncnc3N2)cc1,0,0.0,
+CCOc1ccc(C2CC(c3ccc(OC)c(OC)c3)n3nc(N)nc3N2)cc1,0,0.0,
+CCOc1ccc(C2CC(c3ccc(OC)cc3)n3ncnc3N2)cc1,0,0.0,
+CCOc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1,0,0.0,
+CCOc1ccc(C2CC(c3cccc(C)c3)n3ncnc3N2)cc1,0,0.0,
+CCOc1ccc(C2CC(c3cccc(Cl)c3)n3nc(N)nc3N2)cc1,0,0.0,
+CCOc1ccc(C2CC(c3cccc(OC)c3)Nc3nc(N)nn32)cc1,0,0.0,
+CCOc1ccc(C2CC(c3cccc(OC)c3)Nc3ncnn32)cc1,0,0.0,
+CCOc1ccc(C2CC(c3cccc(OC)c3)n3nc(N)nc3N2)cc1,0,0.0,
+CCOc1ccc(C2CC(c3cccc(OC)c3OC)n3nnnc3N2)cc1Cl,0,0.0,
+CCOc1ccc(C2CC(c3ccccc3)Nc3nc(N)nn32)cc1,0,0.0,
+CCOc1ccc(C2CC(c3ccccc3C)n3nc(N)nc3N2)cc1,0,0.0,
+CCOc1ccc(C2CC(c3ccccc3C)n3ncnc3N2)cc1,0,0.0,
+CCOc1ccc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1OC,0,0.0,
+CCOc1ccc(C2N(c3cc(Cl)ccc3OC)C(=O)C3CCCN32)cc1OC,0,0.0,
+CCOc1ccc(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)cc1OC,0,0.0,
+CCOc1ccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc1,0,0.0,
+CCOc1ccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc1OC,0,0.0,
+CCOc1ccc(C2N(c3ccc(OC)cc3)C(=O)C3CCCN32)cc1OC,0,0.0,
+CCOc1ccc(C2NC(=O)c3ccccc3O2)cc1,0,0.0,
+CCOc1ccc(C2NC(=O)c3n[nH]c(C)c32)cc1,0,0.0,
+CCOc1ccc(C2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)cc1OC,0,0.0,
+CCOc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0.0,
+CCOc1ccc(C2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1,0,0.0,
+CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC,0,0.0,
+CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,0,0.0,
+CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,0,0.0,
+CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1OCC,0,0.0,
+CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC,0,0.0,
+CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OC,0,0.0,
+CCOc1ccc(C=NC23CN4CN(CN(C4)C2)C3)cc1,0,0.0,
+CCOc1ccc(CC(=O)C2C(=O)CCCC2=O)cc1OCC,0,0.0,
+CCOc1ccc(CC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OCC,0,0.0,
+CCOc1ccc(CC(=O)NCc2cn3c(C)csc3n2)cc1,0,0.0,
+CCOc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)cc1OCC,0,0.0,
+CCOc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1OCC,0,0.0,
+CCOc1ccc(CC2CC(=O)NC2=O)cc1,0,0.0,
+CCOc1ccc(CC2S/C(=N/c3ccccn3)NC2=O)cc1,0,0.0,
+CCOc1ccc(CCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1OCC,0,0.0,
+CCOc1ccc(CCN2C(=O)CCC2(C)C(=O)NC(C)CC)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C(C)n2nc(C)n3c(cc4occc43)c2=O)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C(CC)n2nc(C)n3c(cc4sccc43)c2=O)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C(O)c2ccccc2)cc1,0,0.0,
+CCOc1ccc(CCNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCC(=O)N2C2CCCCC2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCCN(C(=O)N(C)C)C2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCCN(c3nn4c(=O)cc(C)nc4s3)C2)cc1,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCCN(c3nn4c(=O)cc(C)nc4s3)C2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCCN(c3nnc(-n4cccc4)s3)C2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)CCN2C(=O)COc3ccccc32)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)CCn2cccc2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccc(F)cc3)C2=O)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3C)C2=O)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)Cc2nn[nH]n2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)c2cccnc2N2CCCC2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)c2nnc(Cc3ccc(F)cc3)o2)cc1OCC,0,0.0,
+CCOc1ccc(CCNC(=O)c2oc3c(c2C)-c2[nH]ncc2CC3)cc1OCC,0,0.0,
+CCOc1ccc(CCNS(=O)(=O)c2c(C)n[nH]c2C)cc1OCC,0,0.0,
+CCOc1ccc(CCNS(=O)(=O)c2cccc3nsnc23)cc1OCC,0,0.0,
+CCOc1ccc(CCNS(=O)(=O)c2cnc[nH]2)cc1OCC,0,0.0,
+CCOc1ccc(CCNc2cc(C)nc3ncnn23)cc1OCC,0,0.0,
+CCOc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)cc1OCC,0,0.0,
+CCOc1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CCOc1ccc(CN(CCO)CCO)cc1C(=O)OC,0,0.0,
+CCOc1ccc(CN(Cc2ccco2)C(c2cccs2)c2nnnn2C(C)(C)C)cc1,0,0.0,
+CCOc1ccc(CN2C(=O)CCC2(C)C(=O)NCc2cccnc2)cc1,0,0.0,
+CCOc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)cc1,0,0.0,
+CCOc1ccc(CN2CCC(=O)NC2=O)cc1,0,0.0,
+CCOc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)cc1,0,0.0,
+CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1OC,0,0.0,
+CCOc1ccc(CN2CCN(c3cc(C)nc4c5c(C)cc(C)nc5nn34)CC2)cc1,0,0.0,
+CCOc1ccc(CN2CCNC(=O)C2CC(=O)OC)cc1,1,100.0,0.0
+CCOc1ccc(CNC(=O)C(CC)n2nc(C)n3c(cc4occc43)c2=O)cc1OC,0,0.0,
+CCOc1ccc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1OC,0,0.0,
+CCOc1ccc(CNC(=O)C2CCC(=O)N2C2CCCC2)cc1OC,0,0.0,
+CCOc1ccc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cc1OC,0,0.0,
+CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1OC,0,0.0,
+CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)cc1OC,0,0.0,
+CCOc1ccc(CNC(=O)CCn2c(=O)oc3ccccc32)cc1,0,0.0,
+CCOc1ccc(CNC(=O)CCn2c(=O)oc3ccccc32)cc1OC,0,0.0,
+CCOc1ccc(CNC(=O)NS(=O)(=O)c2ccc(OC)cc2)cc1,0,0.0,
+CCOc1ccc(CNC23CN4CN(CN(C4)C2)C3)cc1,0,0.0,
+CCOc1ccc(CNc2ccc(N3CCCC3)cc2)cc1,0,0.0,
+CCOc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1,1,100.0,1.0
+CCOc1ccc(CNc2ccc3c(c2)ncn3C)cc1,0,0.0,
+CCOc1ccc(CSC(CC(=O)O)C(=O)O)cc1,0,0.0,
+CCOc1ccc(CSC2=NCCN2)cc1Cl,0,0.0,
+CCOc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1,0,0.0,
+CCOc1ccc(Cc2nc(-c3nonc3N)no2)cc1OCC,0,0.0,
+CCOc1ccc(Cc2nc(C)c(CC(=O)N3CCCCC3)c(=O)[nH]2)cc1,0,0.0,
+CCOc1ccc(Cc2nc(C)c(CC(=O)N3CCOCC3)c(=O)[nH]2)cc1,0,0.0,
+CCOc1ccc(Cc2nc(N)nc(N)n2)cc1,0,0.0,
+CCOc1ccc(Cc2nn[nH]n2)cc1,0,0.0,
+CCOc1ccc(Cc2nnc(N)s2)cc1OCC,0,0.0,
+CCOc1ccc(Cc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1,0,0.0,
+CCOc1ccc(Cl)cc1/C=N/O,0,0.0,
+CCOc1ccc(Cl)cc1CSc1n[nH]c(CC)n1,0,0.0,
+CCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC1,0,0.0,
+CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+CCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21,0,0.0,
+CCOc1ccc(Cl)cc1S(=O)(=O)n1nnc2ccccc21,0,0.0,
+CCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1OC,0,0.0,
+CCOc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1,0,0.0,
+CCOc1ccc(Cn2c(SCCCCC#N)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC,0,0.0,
+CCOc1ccc(Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1,0,0.0,
+CCOc1ccc(Cn2nnc(C(=O)NCc3ccc(OC)cc3)c2N)cc1,1,100.0,0.0
+CCOc1ccc(Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1,0,0.0,
+CCOc1ccc(Cn2nnc(C(=O)Nc3cc(C)cc(C)c3)c2N)cc1,0,0.0,
+CCOc1ccc(Cn2nnc(C(=O)Nc3cc(OC)cc(OC)c3)c2N)cc1,0,0.0,
+CCOc1ccc(Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1,0,0.0,
+CCOc1ccc(N(C(C)=O)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+CCOc1ccc(N(C(C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1,0,0.0,
+CCOc1ccc(N(C(C)C(=O)Nc2ccc(OC)cc2)S(C)(=O)=O)cc1,0,0.0,
+CCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCC4CCCO4)c(=O)c3c2)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2ccco2)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NC(C)CC)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NC2CCCC(C)C2C)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NCc2ccc(OC)cc2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NCc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2)S(C)(=O)=O)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2cccnc2)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,0,0.0,
+CCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+CCOc1ccc(N(CC)C(=O)COc2cc(=O)n(C)c3ccccc23)cc1,0,0.0,
+CCOc1ccc(N(CC)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,0,0.0,
+CCOc1ccc(N(CCC#N)S(=O)(=O)c2ccc(OC)cc2)cc1,0,0.0,
+CCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)C2CCCO2)cc1,0,0.0,
+CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)COC)cc1,0,0.0,
+CCOc1ccc(N/C(SC)=C(/C#N)C(N)=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(/C=C3/N(C)c4ccccc4C3(C)C)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(N)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(N3CCC(NC(=O)Nc4ccccc4)CC3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(N3CCN(C(=O)CN4CCCC4)CC3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(N3CCN(C4CCc5ccccc5C4)CC3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5ccncc5)cc4)CC3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(NCCc3ccncc3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(NCc3ccc(F)cc3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(SC(=NC)Nc3cccc(F)c3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(SCCN)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)c3C#N)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(Sc3ncccn3)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CC(n3nc(C)cc3C)C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CCC2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CSC23CCCCC3)cc1,0,0.0,
+CCOc1ccc(N2C(=O)CSC2c2ccncc2)cc1,0,0.0,
+CCOc1ccc(N2C(=O)c3ccc(C(=O)OCc4c(C)noc4C)cc3C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)c3ccccc3C2O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)c3cccnc3C2=O)cc1,0,0.0,
+CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(C)cc2)cc1,0,0.0,
+CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(Cl)cc2)cc1,0,0.0,
+CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(F)cc2)cc1,0,0.0,
+CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(OC)cc2)cc1,0,0.0,
+CCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1,0,0.0,
+CCOc1ccc(N2CC(=O)Nc3ccccc3NCC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(=O)SC2=S)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)NC(C)C)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)NCCC3=CCCCC3)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)NCCCN3CCOCC3)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)NCc3ccc(F)cc3)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)NCc3cccc(C)c3)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)Nc3ccc(F)cc3F)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)Nc3cccc(C)c3C)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)Nc3ccccc3F)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)Nc3ccccc3OC)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)Nc3ncccc3C)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)OC)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(C(=O)Oc3ccccc3)CC2=O)cc1,0,0.0,
+CCOc1ccc(N2CC(O)Cn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1,0,0.0,
+CCOc1ccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1,0,0.0,
+CCOc1ccc(N2CCCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,0,0.0,
+CCOc1ccc(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,0,0.0,
+CCOc1ccc(N2CSC3=C(C#N)C(c4ccccc4Cl)CC(=O)N3C2)cc1,0,0.0,
+CCOc1ccc(N2Cc3ccccc3C2)cc1,0,0.0,
+CCOc1ccc(N2Cc3ncccc3C2=O)cc1,0,0.0,
+CCOc1ccc(N=C(NC#N)SC)cc1,0,0.0,
+CCOc1ccc(N=C(NC#N)SCC(=O)NC2CC2)cc1,0,0.0,
+CCOc1ccc(N=C2C(=O)N(CN3CCOCC3)c3ccccc32)cc1,0,0.0,
+CCOc1ccc(N=C2NC(=O)C(CC(=O)O)S2)cc1,0,0.0,
+CCOc1ccc(N=C2SC(C(=O)O)CC(=O)N2C)cc1,0,0.0,
+CCOc1ccc(N=CC2=C(O)CC(C)(C)CC2=O)cc1,0,0.0,
+CCOc1ccc(N=Cc2c(O)cc(C)oc2=O)cc1,1,100.0,0.0
+CCOc1ccc(NC(=O)C(C)O)c(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1,0,0.0,
+CCOc1ccc(NC(=O)C(C)SC(N)=O)cc1,0,0.0,
+CCOc1ccc(NC(=O)C(C)Sc2nnc(C)n2C)cc1,0,0.0,
+CCOc1ccc(NC(=O)C(C)Sc2nnnn2C)cc1,0,0.0,
+CCOc1ccc(NC(=O)C(CC)NC(=O)c2ccccc2CO)cc1,0,0.0,
+CCOc1ccc(NC(=O)C/C(N)=N/O)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2C3C=CC4(CN(C(C(=O)OC)C(C)C)C(=O)C24)O3)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CC(=O)N(C)C(=Nc3ccc4c(c3)OCO4)S2)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CC(=O)N(CC)C(=Nc3ccc4c(c3)OCO4)S2)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1,1,100.0,0.0
+CCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CC(=O)NC(N3CCc4ccccc43)=N2)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CC(C)=C(C)CC2C(=O)O)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CCC(N3C(=O)C4CC=CCC4C3=O)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)C2CSC(c3ccncc3)=N2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CC2CC(C)(C)OC2=O)cc1,0,0.0,
+CCOc1ccc(NC(=O)CC2NCCNC2=O)cc1,0,0.0,
+CCOc1ccc(NC(=O)CCC(=O)OC)cc1,0,0.0,
+CCOc1ccc(NC(=O)CCC(=O)n2nc(C)cc2C)cc1,0,0.0,
+CCOc1ccc(NC(=O)CCN2CCCCC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CCN2CCN(c3ccccc3OC)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1,0,0.0,
+CCOc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)cc1,0,0.0,
+CCOc1ccc(NC(=O)CCn2cccc2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN(C)CC(=O)NC2CCCc3ccccc32)cc1OCC,0,0.0,
+CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)cc1OCC,0,0.0,
+CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN(C)c2nnnn2-c2ccccc2)cc1OCC,0,0.0,
+CCOc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1,1,100.0,0.0
+CCOc1ccc(NC(=O)CN2C(=O)C3CC=CCC3C2=O)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2C(=O)C3CCCN3C2=O)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(C(=O)OC)cc3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2CCN(CC(=O)c3ccc(OC)c(OC)c3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2CCN(CC(=O)c3ccc(OCC)cc3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1,0,0.0,
+CCOc1ccc(NC(=O)COC(=O)Cn2cnnn2)cc1OCC,0,0.0,
+CCOc1ccc(NC(=O)COC(=O)c2cccnc2)cc1,0,0.0,
+CCOc1ccc(NC(=O)COc2nsnc2N2CCCCC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)C[S+]([O-])CC(=O)NC2CCCc3ccccc32)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSC(N)=O)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSC2=C(C#N)C(c3ccc4c(c3)OCO4)CC(=O)N2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2n[nH]c(=O)n2-c2ccccc2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nc3cccnc3n2CC)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nc3cccnc3n2CCOC)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nccn2C)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC2CCCO2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nnc(C)n2CCCOC)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nnc(C3CC3)n2N)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(OC)cc2)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,0,0.0,
+CCOc1ccc(NC(=O)CSc2nnnn2CC(=O)O)cc1,0,0.0,
+CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1,0,0.0,
+CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1,0,0.0,
+CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)CC)n2)cc1,0,0.0,
+CCOc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3OC)c2N)cc1,0,0.0,
+CCOc1ccc(NC(=O)N(C2CCCCC2)C(C)c2ccncc2)cc1,0,0.0,
+CCOc1ccc(NC(=O)N(C2CCCCC2)C2CCN(C(C)=O)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)N(C2CCCCCC2)C2CCN(C(C)=O)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)N(CCC(C)C)C(C)c2ccco2)cc1,0,0.0,
+CCOc1ccc(NC(=O)N(CCN(C)C)C(C)c2ccncc2)cc1,0,0.0,
+CCOc1ccc(NC(=O)N(CCN2CCOCC2)Cc2ccc3c(c2)CCCN3CC)cc1,0,0.0,
+CCOc1ccc(NC(=O)N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)N2CCC(NC(=O)c3ccco3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)N2CCN(CC)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)NC2CCOC(C)(C)C2)cc1,0,0.0,
+CCOc1ccc(NC(=O)NCCN2C(C)CCCC2C)cc1,0,0.0,
+CCOc1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1,0,0.0,
+CCOc1ccc(NC(=O)Nc2cc(C)on2)cc1,0,0.0,
+CCOc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)cc1,0,0.0,
+CCOc1ccc(NC(=O)Nc2ccc3c(c2)nnn3C)cc1,0,0.0,
+CCOc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4ccccn4)CC3)c2)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2ccc(N)cc2)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)C[S+]3[O-])cc1,0,0.0,
+CCOc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2ccccc2CO)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCN(C(C)=O)CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2ccccc2O)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2ccccc2OC)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2cccnc2C(=O)O)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2ccncc2)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2cnsn2)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2nccnc2CO)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2nn(C)cc2Br)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3OC)c2N)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3OCC)c2N)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)C)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1,0,0.0,
+CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC)cc1,0,0.0,
+CCOc1ccc(NC(C)c2cc(Cl)ccc2O)cc1,0,0.0,
+CCOc1ccc(NC(N)=O)cc1,0,0.0,
+CCOc1ccc(NC2=NC(C(=O)NCc3ccccc3)CC(=O)N2)cc1,0,0.0,
+CCOc1ccc(NC2=NC(C)(C)N=C(N)N2)cc1,0,0.0,
+CCOc1ccc(NC2=NCC(=O)N2CCc2ccccc2)cc1,0,0.0,
+CCOc1ccc(NC2=NCCC(=O)N2Cc2cccs2)cc1,0,0.0,
+CCOc1ccc(NC2CCN(C(C)=O)CC2)cc1,0,0.0,
+CCOc1ccc(NC2c3ccccc3C(=O)N2Cc2ccco2)cc1,0,0.0,
+CCOc1ccc(NC2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc1,0,0.0,
+CCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1,0,0.0,
+CCOc1ccc(NCC2CCOC(C)(C)C2)cc1,0,0.0,
+CCOc1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1,0,0.0,
+CCOc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)on3)n2-c2ccc(OC)cc2)cc1,0,0.0,
+CCOc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)on3)n2-c2ccccc2OC)cc1,0,0.0,
+CCOc1ccc(NS(=O)(=O)N(C)C)cc1,0,0.0,
+CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1,0,0.0,
+CCOc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1,0,0.0,
+CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1,0,0.0,
+CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCOC)cc2)cc1,0,0.0,
+CCOc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1,0,0.0,
+CCOc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1,0,0.0,
+CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(CC)CC)c(=O)c3c2)cc1,1,100.0,
+CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC(C)CC)c(=O)c3c2)cc1,0,0.0,
+CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCC4CCCO4)c(=O)c3c2)cc1,0,0.0,
+CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCOC)c(=O)c3c2)cc1,0,0.0,
+CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)cc1,0,0.0,
+CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,0,0.0,
+CCOc1ccc(Nc2c3c(nc4ncnn24)CC(C)CC3)cc1,1,100.0,
+CCOc1ccc(Nc2cc(=O)n(C)c(=O)n2C)cc1,0,0.0,
+CCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,0,0.0,
+CCOc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1,0,0.0,
+CCOc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0,0.0,
+CCOc1ccc(Nc2nc(C)cc(C)c2C#N)cc1,0,0.0,
+CCOc1ccc(Nc2nc(CC(=O)OC)cc(=O)[nH]2)cc1,0,0.0,
+CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)NCC4CCCO4)n3C)cs2)cc1,0,0.0,
+CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)NCc4ccco4)n3CC)cs2)cc1,0,0.0,
+CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)O)o3)cs2)cc1,0,0.0,
+CCOc1ccc(Nc2nc(Cc3nnc(SCC(N)=O)o3)cs2)cc1,1,100.0,0.0
+CCOc1ccc(Nc2nc(NCCN3CCOCC3)nc(OC)n2)cc1,0,0.0,
+CCOc1ccc(Nc2nc3c(c(=O)[nH]2)CCC3)cc1,0,0.0,
+CCOc1ccc(Nc2nc3c(c(=O)[nH]2)CCCC3)cc1,0,0.0,
+CCOc1ccc(Nc2ncnc(N)n2)cc1,0,0.0,
+CCOc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1,0,0.0,
+CCOc1ccc(Nc2oc(-c3ccco3)nc2C#N)cc1,0,0.0,
+CCOc1ccc(Nc2oc(-c3cccs3)nc2C#N)cc1,0,0.0,
+CCOc1ccc(Nc2oc(Cc3ccccc3)nc2C#N)cc1,0,0.0,
+CCOc1ccc(OC(=O)c2cccnc2)cc1,0,0.0,
+CCOc1ccc(OCC(=O)N2CCOCC2)cc1,0,0.0,
+CCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1,0,0.0,
+CCOc1ccc(OCC(=O)c2c(O)c3ccccc3oc2=O)cc1,0,0.0,
+CCOc1ccc(OCC)c(C2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c1,0,0.0,
+CCOc1ccc(OCC)c(N=c2oc3c(C)ncc(CO)c3cc2C(N)=O)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2C3C=CC(O3)C2C(=O)NCc2ccco2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCCN(c3ncccn3)C2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCN(c3ncccn3)CC2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)C2COc3ccccc3O2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CC2Oc3ccc(C)cc3NC2=O)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CC2Oc3ccccc3NC2=O)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CCCN2C(=O)c3cccnc3C2=O)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CCn2c(=O)oc3ccccc32)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CCn2cccc2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CN2CCC(NC(=O)c3cccc(F)c3)CC2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3cc(C)ccc3C)CC2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3ccc(C)cc3C)CC2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3cccc(C)c3)C(C)C2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3cccc(C)c3)CC2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CNS(=O)(=O)c2cccs2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CSCC(=O)O)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CSc2nc3cccnc3n2C)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3cccnc3)o2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)CSc2nnc(Cn3cnc4ccccc43)n2C)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)Cn2cccc2)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1,0,0.0,
+CCOc1ccc(OCC)c(NC(=O)c2ccc(CNc3c(N4CCOCC4)c(=O)c3=O)cc2)c1,0,0.0,
+CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1,0,0.0,
+CCOc1ccc(OCC)c(NS(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+CCOc1ccc(OCC)c(Nc2cc(C)nc3nc(C)nn23)c1,0,0.0,
+CCOc1ccc(OCC)c(Nc2cc(C)nc3ncnn23)c1,0,0.0,
+CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2C)c1,0,0.0,
+CCOc1ccc(OCC)c(S(=O)(=O)NCCCN2CCOCC2)c1,0,0.0,
+CCOc1ccc(OCC)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1,0,0.0,
+CCOc1ccc(OCC)c(S(=O)(=O)NCc2cccnc2)c1,0,0.0,
+CCOc1ccc(OCC)c2sc(C)nc12,0,0.0,
+CCOc1ccc(OCCCCN(C)C)cc1,0,0.0,
+CCOc1ccc(OCCN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1,0,0.0,
+CCOc1ccc(OCCSc2nc(C)cc(=O)[nH]2)cc1,0,0.0,
+CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,0,0.0,
+CCOc1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1,0,0.0,
+CCOc1ccc(OCc2ccc(C(=O)NCC3CCCO3)o2)cc1,0,0.0,
+CCOc1ccc(OCc2ccc(C(=O)NCc3ccncc3)o2)cc1,0,0.0,
+CCOc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cn3)o2)cc1,0,0.0,
+CCOc1ccc(OCc2ccc(C(=O)Nc3cccc(C)n3)o2)cc1,0,0.0,
+CCOc1ccc(OCc2cccc(C(=O)N3CCCC3)c2)cc1,0,0.0,
+CCOc1ccc(OCc2cccc(C(=O)N3CCOCC3)c2)cc1,0,0.0,
+CCOc1ccc(OCc2cccc(C(=O)O)c2)cc1,0,0.0,
+CCOc1ccc(Oc2nc(NCC(C)C)nc(N(C)C)n2)nn1,0,0.0,
+CCOc1ccc(Oc2nc(NCC(C)C)nc(OC)n2)nn1,0,0.0,
+CCOc1ccc(Oc2nc(Nc3ccc(C)cc3)nc(N(C)C)n2)nn1,0,0.0,
+CCOc1ccc(S(=O)(=O)N(C)C)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1,0,0.0,
+CCOc1ccc(S(=O)(=O)N(C)CCO)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1,0,0.0,
+CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCc3c(C)noc3C)cc2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)Cc2ccco2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)Cc2ccccc2Cl)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C)cc2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2ccccc12,0,0.0,
+CCOc1ccc(S(=O)(=O)N2CCCCC2)c2ccccc12,0,0.0,
+CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1C,0,0.0,
+CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2cccnc12,0,0.0,
+CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OCC)cc3)C(C)C2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cccnc12,0,0.0,
+CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c2cccnc12,0,0.0,
+CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c2cccnc12,0,0.0,
+CCOc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)NCCCn2ccnc2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1,0,0.0,
+CCOc1ccc(S(=O)(=O)NCC2CCCO2)c2cccnc12,0,0.0,
+CCOc1ccc(S(=O)(=O)NCCC(=O)NC2=NCCS2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)NCCC(=O)OC(C)C(=O)N2CCc3ccccc32)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)NCCC(=O)OCN2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12,0,0.0,
+CCOc1ccc(S(=O)(=O)NCCN2CCOCC2)c2ccccc12,0,0.0,
+CCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2)c2cccnc12,0,0.0,
+CCOc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12,0,0.0,
+CCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1,1,100.0,1.0
+CCOc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c3oc(=O)sc3c2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1C,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c2cccnc12,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2N2CCOCC2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2ccccc2SC)c2cccnc12,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCN(C)CC2)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1,1,100.0,1.0
+CCOc1ccc(S(=O)(=O)n2ccc(C)n2)c2ccccc12,0,0.0,
+CCOc1ccc(S(=O)(=O)n2ccnc2)c2ccccc12,0,0.0,
+CCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1,0,0.0,
+CCOc1ccc(S(=O)(=O)n2nc(C)cc2C)c2ccccc12,0,0.0,
+CCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1C,0,0.0,
+CCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1C(C)C,0,0.0,
+CCOc1ccc2[nH]c(=O)c(=O)[nH]c2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(CC)CC3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCc4ccccc4C3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(C(c3nnnn3CCOC)N3CCOCC3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCC(C)CC3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCCC(C)C3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(C(=O)N3CCOCC3)C3CC3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CC3CCCN3CC)C(=O)NCc3ccccc3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CC3COCCO3)C(=O)C3CC3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CC3COCCO3)C(=O)c3ccco3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(C)=O)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3C(C)(C)CC)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)CC)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(Br)cc3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(F)cc3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccccc3F)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CCO)C(c3nnnn3C3CCCCC3)C(C)C)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CCO)C3(c4nnnn4C4CCCCC4)CCCCC3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CCOC)C(=O)N3CCOCC3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3cnccn3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)N3CCCC3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)N3CCCC3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)N3CCCC3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3OC)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Br)cc3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cccc(F)c3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(CC)c3nnnn3Cc3ccccc3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccccc3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(CC)c3nnnn3C(C)(C)CC)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C(C)(C)CC)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCc3ccccc3)CC3CCCO3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)CC3CCCO3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1,0,0.0,
+CCOc1ccc2[nH]c(C)c(CN(C)C)c(=O)c2c1,0,0.0,
+CCOc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1,0,0.0,
+CCOc1ccc2[nH]c(C)c(CN3CCN(CC)CC3)c(=O)c2c1,0,0.0,
+CCOc1ccc2[nH]c(C)c(CN3CCOCC3)c(=O)c2c1,0,0.0,
+CCOc1ccc2[nH]c(C)cc(=O)c2c1,0,0.0,
+CCOc1ccc2[nH]c(O)c(NC(C)=O)c2c1,0,0.0,
+CCOc1ccc2[nH]c(S(=O)(=O)CC)nc2c1Cl,0,0.0,
+CCOc1ccc2[nH]c3c(N4CCN(c5ccccn5)CC4)ncnc3c2c1,0,0.0,
+CCOc1ccc2[nH]cc(C(=O)N3CCN(CC)CC3)c(=O)c2c1,0,0.0,
+CCOc1ccc2[nH]cc(C(=O)O)c(=O)c2c1,0,0.0,
+CCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c2c1,0,0.0,
+CCOc1ccc2c(C)c(C(=O)O)oc2c1OCC,0,0.0,
+CCOc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1,0,0.0,
+CCOc1ccc2c(O)csc2c1,0,0.0,
+CCOc1ccc2c(c1)N(C(=O)CN1C(=O)CCC1=O)C(C)(C)C=C2C,0,0.0,
+CCOc1ccc2c(c1)c1nnc(SCC(=O)N3CCC(C)CC3)nc1n2C,1,100.0,1.0
+CCOc1ccc2c(c1)c1nnc(SCC(=O)N3CCCCC3C)nc1n2C,1,100.0,0.0
+CCOc1ccc2c(c1)c1nnc(SCC3CCCO3)nc1n2C,0,0.0,
+CCOc1ccc2c(c1)cc(CN(C(=O)CC)C1CCCCC1)c1nnnn12,0,0.0,
+CCOc1ccc2c(c1)n(CO)c(=S)n2CO,0,0.0,
+CCOc1ccc2c(c1)n([O-])c1c([n+]2=O)CCCC1,0,0.0,
+CCOc1ccc2c(c1)sc(=NC(=O)C1CC1)n2C,0,0.0,
+CCOc1ccc2c(c1)sc1nc(C(=O)OC)cc(=O)n12,0,0.0,
+CCOc1ccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2c1,0,0.0,
+CCOc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1,0,0.0,
+CCOc1ccc2cc(C#N)c(SCC(=O)N3CCOCC3)nc2c1,0,0.0,
+CCOc1ccc2cc(C#N)c(SCC(=O)NC(C)CC)nc2c1,0,0.0,
+CCOc1ccc2cc(C#N)c(SCC(=O)OC)nc2c1,0,0.0,
+CCOc1ccc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2c1,0,0.0,
+CCOc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2c1,0,0.0,
+CCOc1ccc2cc(S(=O)(=O)n3ccnc3C)ccc2c1,0,0.0,
+CCOc1ccc2ccccc2c1/C=N/n1cncn1,0,0.0,
+CCOc1ccc2ccccc2c1C(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+CCOc1ccc2ccccc2c1C(=O)N1CCOCC1,0,0.0,
+CCOc1ccc2ccccc2c1C(=O)Nc1cc(=O)n(C)c(=O)n1C,0,0.0,
+CCOc1ccc2ccccc2c1CNCCN1CCOCC1,0,0.0,
+CCOc1ccc2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)O)c2c1,0,0.0,
+CCOc1ccc2nc(-c3ccccc3)[nH]c2c1,0,0.0,
+CCOc1ccc2nc(C(C)O)[nH]c2c1,0,0.0,
+CCOc1ccc2nc(C)cc(C(=O)O)c2c1,0,0.0,
+CCOc1ccc2nc(COC(=O)c3ccco3)c(C(C)=O)[n+]([O-])c2c1,0,0.0,
+CCOc1ccc2nc(N3CCC(C(=O)N4CCN(C(=O)c5ccco5)CC4)CC3)sc2c1,0,0.0,
+CCOc1ccc2nc(N3CCC(C(=O)N4CCN(C5CCCCC5)CC4)CC3)sc2c1,1,100.0,1.0
+CCOc1ccc2nc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)sc2c1,1,100.0,0.0
+CCOc1ccc2nc(N3CCC(C(=O)N4CCN(c5ncccn5)CC4)CC3)sc2c1,0,0.0,
+CCOc1ccc2nc(N3CCC(C(=O)Nc4nnc(CC)s4)CC3)sc2c1,0,0.0,
+CCOc1ccc2nc(N3CCCC(C(=O)N4CCN(CC)CC4)C3)sc2c1,0,0.0,
+CCOc1ccc2nc(N3CCCC(C(=O)NCCCN4CCOCC4)C3)sc2c1,0,0.0,
+CCOc1ccc2nc(N3CCCCCC3)sc2c1,0,0.0,
+CCOc1ccc2nc(N3CCCN(C(=O)Nc4ccccc4C)CC3)c(C#N)cc2c1,0,0.0,
+CCOc1ccc2nc(N3CCOCC3)nc(C)c2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)C(CC)Sc3nc(C)cc(=O)[nH]3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)C(CCSC)NS(=O)(=O)c3cccs3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)C(NS(=O)(=O)c3cccs3)C(C)C)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cnc[nH]4)CC3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)C3CCN(c4cnccn4)CC3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)CN3CCC(n4nnc5cc(F)ccc54)CC3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)CN3CCN(c4ccccn4)CC3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)COC)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)CSC3=NCCS3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n(C)c(=O)n4C)n3C(C)C)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n(C)c(=O)n4C)n3CC)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)CSc3nc4ccccc4c(=O)n3Cc3ccco3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)CSc3nnc(-c4ccncc4)n3CC3CCCO3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)CSc3nnnn3C3CCCCC3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(NC(=O)CC)(C(=O)OC)C(F)(F)F)sc2c1,0,0.0,
+CCOc1ccc2nc(NC(NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1,0,0.0,
+CCOc1ccc2nc(NC3=NCN(CC4CCCO4)CN3)nc(C)c2c1,0,0.0,
+CCOc1ccc2nc(NC3=NCN(Cc4ccco4)CN3)nc(C)c2c1,0,0.0,
+CCOc1ccc2nc(NCCCNS(=O)(=O)c3ccccc3)c(C#N)cc2c1,0,0.0,
+CCOc1ccc2nc(NCCNC(=O)C(C)C)c(C)cc2c1,0,0.0,
+CCOc1ccc2nc(NCCNC(=O)C3CC3)c(C)cc2c1,0,0.0,
+CCOc1ccc2nc(NCCNC(=O)CC)c(C#N)cc2c1,0,0.0,
+CCOc1ccc2nc(NCCNC(=O)Nc3cccc(C)c3)c(C#N)cc2c1,0,0.0,
+CCOc1ccc2nc(NCCNC(=O)Nc3ccccc3)c(C#N)cc2c1,0,0.0,
+CCOc1ccc2nc(NCCNS(=O)(=O)c3ccccc3)c(C#N)cc2c1,0,0.0,
+CCOc1ccc2nc(NCCO)[nH]c2c1,0,0.0,
+CCOc1ccc2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1,0,0.0,
+CCOc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)sc2c1,0,0.0,
+CCOc1ccc2nc(NS(C)(=O)=O)sc2c1,0,0.0,
+CCOc1ccc2nc(Nc3nc4c(c(=O)[nH]3)CCC4)nc(C)c2c1,0,0.0,
+CCOc1ccc2nc(S(N)(=O)=O)sc2c1,0,0.0,
+CCOc1ccc2nc(SC(C)C(N)=O)[nH]c2c1,0,0.0,
+CCOc1ccc2nc(SC(CC)C(=O)Nc3cc(C)on3)sc2c1,0,0.0,
+CCOc1ccc2nc(SCC#N)c(C#N)cc2c1,0,0.0,
+CCOc1ccc2nc(SCC(=O)N(C)C3CCS(=O)(=O)C3)[nH]c2c1,0,0.0,
+CCOc1ccc2nc(SCC(=O)N3CCCCCC3)c(C#N)cc2c1,0,0.0,
+CCOc1ccc2nc(SCC(=O)NC3CCS(=O)(=O)C3)[nH]c2c1,0,0.0,
+CCOc1ccc2nc(SCC(=O)NC3CCS(=O)(=O)C3)sc2c1,0,0.0,
+CCOc1ccc2nc(SCC(=O)NCc3ccco3)sc2c1,0,0.0,
+CCOc1ccc2nc(SCC(=O)Nc3ncccn3)[nH]c2c1,0,0.0,
+CCOc1ccc2nc(SCC(=O)c3cccs3)sc2c1,0,0.0,
+CCOc1ccc2nc(SCc3ccc(C(=O)OC)o3)[nH]c2c1,0,0.0,
+CCOc1ccc2nc3c(cc2c1)CN(CCCO)C(=NCCOC)S3,0,0.0,
+CCOc1ccc2nc3ccc4[nH]onc4c3c2c1,0,0.0,
+CCOc1ccc2nc3sc(C(=O)N4CCN(C)CC4)c(N)c3cc2c1,0,0.0,
+CCOc1ccc2nnnn2n1,0,0.0,
+CCOc1ccc2noc3c2c1C(=O)c1ccccc1-3,1,100.0,
+CCOc1ccc2oc(-c3ccccc3)c(C(=O)N3CCN(C)CC3)c2c1,0,0.0,
+CCOc1ccc2oc(-c3ccccc3)c(C(=O)N3CCN(CCO)CC3)c2c1,0,0.0,
+CCOc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1,0,0.0,
+CCOc1ccc2oc(C(=O)OCC(=O)NC(=O)NC3CCCC3)c(C)c2c1,0,0.0,
+CCOc1ccc2sc(NS(=O)(=O)c3ccc(OC)c(OC)c3)nc2c1,0,0.0,
+CCOc1cccc(-c2cc(=O)[nH][nH]2)c1,0,0.0,
+CCOc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(Cl)c4)c3n2)c1O,0,0.0,
+CCOc1cccc(-c2nc3cc(C)ccc3o2)c1,0,0.0,
+CCOc1cccc(-c2nn3c(-c4cc(C)[nH]n4)nnc3s2)c1,0,0.0,
+CCOc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1,0,0.0,
+CCOc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1,0,0.0,
+CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2N)c1,0,0.0,
+CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)c1,0,0.0,
+CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)c1,0,0.0,
+CCOc1cccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)c1,0,0.0,
+CCOc1cccc(-c2nnc3n2N=C(c2cc(OC)ccc2OC)CS3)c1,0,0.0,
+CCOc1cccc(-c2nnc3sc(-c4cc(OC)c(OC)c(OC)c4)nn23)c1,0,0.0,
+CCOc1cccc(-c2nnc3sc(-c4cc(OC)c(OC)cc4OC)nn23)c1,0,0.0,
+CCOc1cccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)c1,0,0.0,
+CCOc1cccc(-c2nnc3sc(-c4ccco4)nn23)c1,0,0.0,
+CCOc1cccc(-c2nnc3sc(-c4cccs4)nn23)c1,0,0.0,
+CCOc1cccc(-c2nnc3sc(C4CCCCC4)nn23)c1,0,0.0,
+CCOc1cccc(-c2nnc3sc(COc4ccc(C)cc4)nn23)c1,0,0.0,
+CCOc1cccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)c1,0,0.0,
+CCOc1cccc(-c2nnc3sc(COc4ccc(OC)cc4)nn23)c1,0,0.0,
+CCOc1cccc(-c2nnc3sc(COc4ccccc4)nn23)c1,0,0.0,
+CCOc1cccc(-n2nnnc2-c2ccc(OC)cc2)c1,0,0.0,
+CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)c1,0,0.0,
+CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2ccc(C)o2)c1,0,0.0,
+CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2ccco2)c1,0,0.0,
+CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2ccncc2)c1,0,0.0,
+CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2ccncc2)c1,0,0.0,
+CCOc1cccc(=O)c2c(C)n(C)c(C)c12,0,0.0,
+CCOc1cccc(=O)c2c(C)n(CC3CCCO3)c(C)c12,0,0.0,
+CCOc1cccc(=O)c2c(C)n(Cc3ccco3)c(C)c12,0,0.0,
+CCOc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CCS(=O)(=O)C2)c1,0,0.0,
+CCOc1cccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)c1,0,0.0,
+CCOc1cccc(C(=O)N2CCCCC2c2cccnc2)c1,0,0.0,
+CCOc1cccc(C(=O)NC2CCCCC2)c1,0,0.0,
+CCOc1cccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)c1,0,0.0,
+CCOc1cccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,0,0.0,
+CCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1,0,0.0,
+CCOc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)c1,0,0.0,
+CCOc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1,0,0.0,
+CCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1,0,0.0,
+CCOc1cccc(C(=O)Nc2ccccc2OC(F)F)c1,0,0.0,
+CCOc1cccc(C(=O)Nc2cccnc2)c1,0,0.0,
+CCOc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1,0,0.0,
+CCOc1cccc(C(=O)Nc2nnc(-c3ccco3)s2)c1,0,0.0,
+CCOc1cccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c1OCC,0,0.0,
+CCOc1cccc(C2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1OCC,0,0.0,
+CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1,0,0.0,
+CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1,0,0.0,
+CCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1,0,0.0,
+CCOc1cccc(C2NCc3ccccc3-n3cccc32)c1O,0,0.0,
+CCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)c1,0,0.0,
+CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1,0,0.0,
+CCOc1cccc(C=Nc2cc(C)cc(C)c2O)c1O,0,0.0,
+CCOc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O,0,0.0,
+CCOc1cccc(N2C(=O)CC(=O)NC2=O)c1,0,0.0,
+CCOc1cccc(N2C(=O)CC(N(CCc3ccc(OC)c(OC)c3)C(=O)CC)C2=O)c1,0,0.0,
+CCOc1cccc(N2C(=O)CC(N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)c1,0,0.0,
+CCOc1cccc(N2C(=O)CC(NCc3ccc(S(N)(=O)=O)cc3)C2=O)c1,0,0.0,
+CCOc1cccc(N2C(=O)CC(n3cnc4ccccc43)C2=O)c1,0,0.0,
+CCOc1cccc(NC(=O)C(Cc2cccs2)c2nn[nH]n2)c1,0,0.0,
+CCOc1cccc(NC(=O)C2CC(=O)N(C)C(=Nc3ccccc3)S2)c1,0,0.0,
+CCOc1cccc(NC(=O)C2CC(=O)N(C)C2)c1,0,0.0,
+CCOc1cccc(NC(=O)C2CC(=O)NC(=Nc3ccccc3)S2)c1,0,0.0,
+CCOc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1,0,0.0,
+CCOc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1,0,0.0,
+CCOc1cccc(NC(=O)CC#N)c1,0,0.0,
+CCOc1cccc(NC(=O)CSc2nncn2N)c1,0,0.0,
+CCOc1cccc(NC(=O)Cc2cccs2)c1,0,0.0,
+CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1,0,0.0,
+CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1,0,0.0,
+CCOc1cccc(OCCCCN2CCCCC2)c1,1,100.0,1.0
+CCOc1cccc(OCCCCN2CCOCC2)c1,0,0.0,
+CCOc1cccc(OCCCCn2ccnc2)c1,0,0.0,
+CCOc1cccc(OCCCNCCCOC)c1,0,0.0,
+CCOc1cccc(OCCOCCN(C)Cc2ccccc2)c1,0,0.0,
+CCOc1cccc(OCCOCCN2CCCC2)c1,0,0.0,
+CCOc1cccc(Oc2ccc(C(F)(F)F)cn2)c1,0,0.0,
+CCOc1cccc2c1OC1(C)CC2NC(=O)N1c1ccc(OC)cc1,0,0.0,
+CCOc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(Cl)c1,0,0.0,
+CCOc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(F)c1,0,0.0,
+CCOc1cccc2cc(-c3cn4cc(C)ccc4n3)c(=O)oc12,0,0.0,
+CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)N4CCN(C)CC4)n3)c(=O)oc12,0,0.0,
+CCOc1cccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc12,0,0.0,
+CCOc1cccc2cc(-c3nnc(NCc4ccco4)s3)c(=O)oc12,0,0.0,
+CCOc1cccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)oc12,0,0.0,
+CCOc1cccc2cc(C(=O)N3CCc4ccccc43)c(=O)oc12,0,0.0,
+CCOc1cccc2cc(C(=O)N3CCc4ccccc4C3)c(=O)oc12,0,0.0,
+CCOc1cccc2cc(C(=O)NCc3cccnc3)c(=O)oc12,0,0.0,
+CCOc1cccc2cc(C(=O)Nc3cc(C)on3)c(=O)oc12,0,0.0,
+CCOc1cccc2cc(C(=O)Nc3nccs3)c(=O)oc12,0,0.0,
+CCOc1cccc2sc(NC(=O)c3ccc(Br)s3)nc12,0,0.0,
+CCOc1ccccc1-c1cc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCOc1ccccc1-c1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1,0,0.0,
+CCOc1ccccc1-c1nc(-c2cc3ccccc3nc2OC)no1,0,0.0,
+CCOc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1,1,100.0,0.0
+CCOc1ccccc1-c1nc(-c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)no1,0,0.0,
+CCOc1ccccc1-c1nc(-c2ccc(NC(=O)Cc3ccccc3OC)cc2)no1,0,0.0,
+CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1,0,0.0,
+CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1,0,0.0,
+CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3)c2n1,0,0.0,
+CCOc1ccccc1-c1nc(SCC(=O)O)n[nH]1,0,0.0,
+CCOc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C,0,0.0,
+CCOc1ccccc1-c1nn2c(Cc3ccccc3)nnc2s1,0,0.0,
+CCOc1ccccc1-c1nnc(SCC(=O)NC2CC3CCC2C3)n1CC,0,0.0,
+CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1,0,0.0,
+CCOc1ccccc1-n1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O,0,0.0,
+CCOc1ccccc1-n1c(COc2ccc(C)cc2)nnc1SCC(N)=O,0,0.0,
+CCOc1ccccc1-n1c(COc2ccccc2)nnc1SCC(N)=O,0,0.0,
+CCOc1ccccc1-n1c(O)c(C=NCCCN(CC)CC)c(=O)[nH]c1=O,0,0.0,
+CCOc1ccccc1-n1c(O)c(C=NCc2ccc3c(c2)OCO3)c(=O)[nH]c1=O,0,0.0,
+CCOc1ccccc1-n1c(O)c(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)[nH]c1=O,0,0.0,
+CCOc1ccccc1-n1c(O)c(C=Nc2ccc(N(CC)CC)cc2)c(=O)[nH]c1=O,0,0.0,
+CCOc1ccccc1-n1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1cccnc1,0,0.0,
+CCOc1ccccc1-n1c(SCC(=O)N(CC)CC)nnc1-c1ccccn1,0,0.0,
+CCOc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccoc1C,0,0.0,
+CCOc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1ccccn1,0,0.0,
+CCOc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1ccoc1C,0,0.0,
+CCOc1ccccc1-n1c(SCC(=O)NC(C)CC)nnc1-c1ccoc1C,0,0.0,
+CCOc1ccccc1-n1c(SCC(=O)NC)nnc1-c1ccco1,0,0.0,
+CCOc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccoc1C,0,0.0,
+CCOc1ccccc1-n1c(SCC(=O)NCc2ccco2)nnc1-c1ccncc1,0,0.0,
+CCOc1ccccc1-n1c(SCC(=O)Nc2ccc(CC)cc2)nc2n[nH]c(C)c2c1=N,0,0.0,
+CCOc1ccccc1-n1c(SCC(=O)Nc2nccs2)nnc1-c1ccoc1C,0,0.0,
+CCOc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O,0,0.0,
+CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(O)cc1,0,0.0,
+CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccc1,0,0.0,
+CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1cccnc1,0,0.0,
+CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccco1,0,0.0,
+CCOc1ccccc1-n1cnc2cc(C(=O)NCc3ccco3)ccc21,0,0.0,
+CCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1,0,0.0,
+CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)on1,0,0.0,
+CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc2oc3ccccc3c2cc1OC,0,0.0,
+CCOc1ccccc1-n1nnnc1SCc1nc2ccccc2s1,0,0.0,
+CCOc1ccccc1/C=c1\sc2nc(-c3ccco3)nn2c1=O,0,0.0,
+CCOc1ccccc1/C=c1\sc2ncnn2c1=O,0,0.0,
+CCOc1ccccc1C(=O)N(C)Cc1cc2cc(OC)ccc2[nH]c1=O,0,0.0,
+CCOc1ccccc1C(=O)N(C)Cc1cc2ccccc2[nH]c1=O,0,0.0,
+CCOc1ccccc1C(=O)N(CCC(=O)OC)c1ccccn1,0,0.0,
+CCOc1ccccc1C(=O)N(CN1CCCC1=O)c1ccc(C)c(Cl)c1,0,0.0,
+CCOc1ccccc1C(=O)N(CN1CCCC1=O)c1cccc(Cl)c1,0,0.0,
+CCOc1ccccc1C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,0.0,
+CCOc1ccccc1C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1,0,0.0,
+CCOc1ccccc1C(=O)N1CCC(n2nnc3cc(C)ccc32)CC1,0,0.0,
+CCOc1ccccc1C(=O)N1CCCCC1C,0,0.0,
+CCOc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+CCOc1ccccc1C(=O)N1CCN=C1SC,0,0.0,
+CCOc1ccccc1C(=O)N1CCN=C1SCc1cccnc1,0,0.0,
+CCOc1ccccc1C(=O)NC(C(=O)Nc1ccccc1N1CCOCC1)C(C)C,0,0.0,
+CCOc1ccccc1C(=O)NC(C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1)C(C)C,0,0.0,
+CCOc1ccccc1C(=O)NC(C)c1ccc2c(c1)OCO2,0,0.0,
+CCOc1ccccc1C(=O)NC1CC2CCCC(C1)N2C1CC1,0,0.0,
+CCOc1ccccc1C(=O)NC1CC2CCCC(C1)N2Cc1nnnn1Cc1ccco1,0,0.0,
+CCOc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1,0,0.0,
+CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1C(C)CCCC1C,0,0.0,
+CCOc1ccccc1C(=O)NCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CCOc1ccccc1C(=O)NCCC(=O)O,0,0.0,
+CCOc1ccccc1C(=O)NCCCCCC(=O)O,0,0.0,
+CCOc1ccccc1C(=O)NCCCN1CCN(CCCNC(=O)c2ccccc2OCC)CC1,0,0.0,
+CCOc1ccccc1C(=O)NCCCn1ccnc1,1,100.0,0.0
+CCOc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CCOc1ccccc1C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CCOc1ccccc1C(=O)NCc1ccco1,0,0.0,
+CCOc1ccccc1C(=O)Nc1cc(=O)n(C)c(=O)n1C,0,0.0,
+CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1O,0,0.0,
+CCOc1ccccc1C(=O)Nc1cc(OC)ccc1OC,0,0.0,
+CCOc1ccccc1C(=O)Nc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1,0,0.0,
+CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CCOc1ccccc1C(=O)Nc1ccc2nc(N3CCN(c4ncccn4)CC3)cc(C)c2c1,0,0.0,
+CCOc1ccccc1C(=O)Nc1ccccc1C(N)=O,0,0.0,
+CCOc1ccccc1C(=O)Nc1ccccc1O,0,0.0,
+CCOc1ccccc1C(=O)Nc1nccs1,0,0.0,
+CCOc1ccccc1C(=O)Nc1nnc(C(C)C)s1,0,0.0,
+CCOc1ccccc1C(=O)Nc1nnc(CC)s1,0,0.0,
+CCOc1ccccc1C(=O)Nc1nncs1,0,0.0,
+CCOc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O,0,0.0,
+CCOc1ccccc1C(=O)n1nc2nc(C)cc(C)c2c1N,0,0.0,
+CCOc1ccccc1C(=S)N1CCCC1,0,0.0,
+CCOc1ccccc1C1C(C#N)=C(N)Nc2onc(-c3ccccc3)c21,0,0.0,
+CCOc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c21,0,0.0,
+CCOc1ccccc1C1C(C#N)=C(N)Oc2n[nH]c(CC)c21,0,0.0,
+CCOc1ccccc1C1C(C#N)=C(N)SC(N)=C1C#N,0,0.0,
+CCOc1ccccc1C1C(C#N)=C(SCC(=O)OC)NC(=O)C1C(=O)OC,1,100.0,0.0
+CCOc1ccccc1C1C(C(=O)Nc2ccc(OC)cc2)=C(C)Nc2nc(CCCO)nn21,0,0.0,
+CCOc1ccccc1C1C(C(=O)Nc2ccccc2OC)=C(C)Nc2nc(CCCO)nn21,0,0.0,
+CCOc1ccccc1C1C(C(=O)Nc2ccccc2OC)=C(C)Nc2nnnn21,0,0.0,
+CCOc1ccccc1C1C(C(=O)OC)=C(N)OC2=C1C(=O)CCC2,0,0.0,
+CCOc1ccccc1C1C(C(=O)OC)=CN(C)C=C1C(=O)OC,0,0.0,
+CCOc1ccccc1C1C(C(N)=O)=C(C)Nc2nc(-c3ccc(OC)cc3)nn21,0,0.0,
+CCOc1ccccc1C1C(C(N)=O)=C(C)Nc2nc(-c3cccc(C)c3)nn21,0,0.0,
+CCOc1ccccc1C1C(C(N)=O)=C(C)Nc2nc(-c3ccccc3Cl)nn21,0,0.0,
+CCOc1ccccc1C1C(C(N)=O)=C(C)Nc2nc(CCCO)nn21,0,0.0,
+CCOc1ccccc1C1C2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1,0,0.0,
+CCOc1ccccc1C1CC(=O)NC(SCC)=C1C#N,0,0.0,
+CCOc1ccccc1C1CC(=O)NC2=C1C(=O)CC(C)(C)C2,0,0.0,
+CCOc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2,0,0.0,
+CCOc1ccccc1C1CC(=O)Nc2cc(OC)c(OC)c(OC)c21,0,0.0,
+CCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,0,0.0,
+CCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3,0,0.0,
+CCOc1ccccc1C1CC(c2ccc(Br)cc2)Nc2nc(N)nn21,0,0.0,
+CCOc1ccccc1C1CC(c2ccc(Cl)cc2)Nc2nc(N)nn21,0,0.0,
+CCOc1ccccc1C1CC(c2ccc(F)cc2)Nc2nc(N)nn21,0,0.0,
+CCOc1ccccc1C1CC(c2ccccc2)Nc2nc(N)nn21,0,0.0,
+CCOc1ccccc1C1N(c2ccc(F)cc2)C(=O)C2CCCN21,0,0.0,
+CCOc1ccccc1C1N(c2ccc(OC)cc2)C(=O)C2CCCN21,0,0.0,
+CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OC1CCCC1C,0,0.0,
+CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OC1CCCCC1,0,0.0,
+CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCc1ccco1,0,0.0,
+CCOc1ccccc1C1SCC(=O)Nc2c1c(=O)[nH]n2C(CC)CC,0,0.0,
+CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccccn1,0,0.0,
+CCOc1ccccc1CN(Cc1ccco1)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1,0,0.0,
+CCOc1ccccc1CN1C(=O)NC(C)(c2ccccc2)C1=O,0,0.0,
+CCOc1ccccc1CN1C(=O)c2ccccc2C1C(=O)NCC1CCCO1,0,0.0,
+CCOc1ccccc1CN1CCN(S(=O)(=O)CC)CC1,0,0.0,
+CCOc1ccccc1CN1CCN(S(C)(=O)=O)CC1,0,0.0,
+CCOc1ccccc1CNC(=O)C1CCC(=O)N1C(C)C,0,0.0,
+CCOc1ccccc1CNC(=O)C1CCCN(c2nc3ccccc3o2)C1,0,0.0,
+CCOc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1,0,0.0,
+CCOc1ccccc1CNC(=O)C1CCN(c2nc3ccccc3o2)CC1,0,0.0,
+CCOc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc21,0,0.0,
+CCOc1ccccc1CNC(=O)c1cc2occc2n1C,0,0.0,
+CCOc1ccccc1CNS(=O)(=O)c1ccc2[nH]c(=O)sc2c1,0,0.0,
+CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+CCOc1ccccc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1,0,0.0,
+CCOc1ccccc1CNc1nc2nc3c(c(=O)n2[nH]1)CCC3,0,0.0,
+CCOc1ccccc1COC(=O)c1cccc(-n2cnnn2)c1,0,0.0,
+CCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21,0,0.0,
+CCOc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC(C)(C)C)c1ccncc1,0,0.0,
+CCOc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1,0,0.0,
+CCOc1ccccc1N(C(=O)Cn1nnnc1-c1ccc(C)o1)C(CC)C(=O)NC(C)(C)C,0,0.0,
+CCOc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1,0,0.0,
+CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NC1CCCC1)c1ccco1,0,0.0,
+CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NCCC(C)C)c1ccco1,0,0.0,
+CCOc1ccccc1N(C)C(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,0,0.0,
+CCOc1ccccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O,0,0.0,
+CCOc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(SC)cc1,0,0.0,
+CCOc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1,0,0.0,
+CCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(C)o2)n1,0,0.0,
+CCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)c1ccc(CN2CCOCC2)o1,0,0.0,
+CCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1,0,0.0,
+CCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCCC(=O)Nc1ccccn1,0,0.0,
+CCOc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCCC(=O)Nc1ccccn1,0,0.0,
+CCOc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1ccccn1,0,0.0,
+CCOc1ccccc1N(CC(=O)NCc1ccc(OC)cc1)S(C)(=O)=O,0,0.0,
+CCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O,0,0.0,
+CCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O,0,0.0,
+CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O,0,0.0,
+CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)O)S(C)(=O)=O,0,0.0,
+CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)OC)S(C)(=O)=O,0,0.0,
+CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccccc1,0,0.0,
+CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccccc1,0,0.0,
+CCOc1ccccc1N(CC(=O)OC)S(C)(=O)=O,0,0.0,
+CCOc1ccccc1N(CC)C(=O)Cn1ncc2c(=O)oc3ccccc3c21,0,0.0,
+CCOc1ccccc1N/C=C/C(=O)C(C)(C)C,0,0.0,
+CCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O,0,0.0,
+CCOc1ccccc1N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O,0,0.0,
+CCOc1ccccc1N1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,0,0.0,
+CCOc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccnc3)cc2C1=O,0,0.0,
+CCOc1ccccc1N1C(=O)c2ccc(C(=O)O)cc2C1=O,0,0.0,
+CCOc1ccccc1N1C(=O)c2cccnc2C1=O,0,0.0,
+CCOc1ccccc1N1CC(C(=O)Nc2ccc(C(=O)O)cc2)CC1=O,0,0.0,
+CCOc1ccccc1N1CC(C(=O)Nc2ccccc2N2CCOCC2)CC1=O,0,0.0,
+CCOc1ccccc1N1CC(C(=O)Nc2nccs2)CC1=O,0,0.0,
+CCOc1ccccc1N1CC(O)=C(c2nc3ccccc3s2)C1=N,0,0.0,
+CCOc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,0,0.0,
+CCOc1ccccc1N1CCN(C(=O)Nc2cccc(Cl)c2)CC1,0,0.0,
+CCOc1ccccc1N1CCN(C(=O)c2c(C)noc2C)CC1,0,0.0,
+CCOc1ccccc1N1CCN(C(=O)c2cc(C)oc2C)CC1,0,0.0,
+CCOc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1,0,0.0,
+CCOc1ccccc1N1CCN(C(=O)c2cc[n+]([O-])cc2)CC1,0,0.0,
+CCOc1ccccc1N1CCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)CC1,0,0.0,
+CCOc1ccccc1N1CCN(C(=O)c2ccncc2)CC1,0,0.0,
+CCOc1ccccc1N1CCN(C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1,0,0.0,
+CCOc1ccccc1N1CCN(CC(=O)Nc2nnc(CC)s2)CC1,0,0.0,
+CCOc1ccccc1N1CCN(CC(O)COc2ccc3c(C)cc(=O)oc3c2)CC1,1,100.0,1.0
+CCOc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1,0,0.0,
+CCOc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1,0,0.0,
+CCOc1ccccc1N1CCN(Cc2cccc(OC)c2O)CC1,0,0.0,
+CCOc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1,0,0.0,
+CCOc1ccccc1N1CCN(S(=O)(=O)CC)CC1,0,0.0,
+CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1,0,0.0,
+CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1,0,0.0,
+CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1,0,0.0,
+CCOc1ccccc1N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+CCOc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+CCOc1ccccc1N1CCN(c2nc(N)c(C#N)c(CC#N)c2C#N)CC1,0,0.0,
+CCOc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)C)CC1,0,0.0,
+CCOc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC)CC1,0,0.0,
+CCOc1ccccc1N1CSC2=C(C#N)C(c3c(OC)ccc4ccccc34)CC(=O)N2C1,0,0.0,
+CCOc1ccccc1N1Cc2cc(C)c(C)cc2C1,1,100.0,0.0
+CCOc1ccccc1N=C1NC(=O)CS1,0,0.0,
+CCOc1ccccc1N=C1SCCCN1C,0,0.0,
+CCOc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OC,0,0.0,
+CCOc1ccccc1NC(=O)C1C2C=CC(O2)C1C(=O)O,0,0.0,
+CCOc1ccccc1NC(=O)C1CC2CCCC(C1)C2=O,0,0.0,
+CCOc1ccccc1NC(=O)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1,0,0.0,
+CCOc1ccccc1NC(=O)C1CCCN(C(=O)NCc2ccccc2)C1,0,0.0,
+CCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1,0,0.0,
+CCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1,0,0.0,
+CCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+CCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,0,0.0,
+CCOc1ccccc1NC(=O)C1CCCN1C(=O)OCc1ccccc1,0,0.0,
+CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1,0,0.0,
+CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1,0,0.0,
+CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1,0,0.0,
+CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+CCOc1ccccc1NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,0,0.0,
+CCOc1ccccc1NC(=O)C1Cc2ccccc2CN1S(C)(=O)=O,0,0.0,
+CCOc1ccccc1NC(=O)CC1NCCNC1=O,0,0.0,
+CCOc1ccccc1NC(=O)CC1Nc2cc(C)c(C)cc2NC1=O,1,100.0,0.0
+CCOc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O,0,0.0,
+CCOc1ccccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1,0,0.0,
+CCOc1ccccc1NC(=O)CCC(=O)O,0,0.0,
+CCOc1ccccc1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,0,0.0,
+CCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1,0,0.0,
+CCOc1ccccc1NC(=O)CCS(=O)(=O)c1cccc2nonc12,0,0.0,
+CCOc1ccccc1NC(=O)CCSc1nc2n[nH]c(C)c2c(=N)n1-c1ccccc1Cl,0,0.0,
+CCOc1ccccc1NC(=O)CCc1ccc(C)o1,0,0.0,
+CCOc1ccccc1NC(=O)CCn1c(=O)oc2ccccc21,0,0.0,
+CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1,0,0.0,
+CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CCOc1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O,0,0.0,
+CCOc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1c(C)noc1C,0,0.0,
+CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)n[nH]c1C,1,100.0,0.0
+CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C,0,0.0,
+CCOc1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)noc1C,0,0.0,
+CCOc1ccccc1NC(=O)CN(c1nccs1)S(=O)(=O)c1ccc(N)cc1,0,0.0,
+CCOc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21,0,0.0,
+CCOc1ccccc1NC(=O)COc1cccc(-n2cnnn2)c1,0,0.0,
+CCOc1ccccc1NC(=O)CSc1c(C)n[nH]c1C,0,0.0,
+CCOc1ccccc1NC(=O)CSc1ccccc1,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nc2c(c(=O)n1C)SC(C)C2,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nc2cccnc2n1C,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nccn1-c1ccccc1,0,0.0,
+CCOc1ccccc1NC(=O)CSc1ncnc2c1oc1ccccc12,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1C,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1CC,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)o1,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnc2c(CC)c(C)nc(N)n12,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(=O)OC)cc1,0,0.0,
+CCOc1ccccc1NC(=O)CSc1nnnn1Cc1ccccc1,0,0.0,
+CCOc1ccccc1NC(=O)Cc1ccccc1OC,0,0.0,
+CCOc1ccccc1NC(=O)Cn1c(=O)n(CCC(=O)NC2CCCC2)c(=O)c2ccccc21,0,0.0,
+CCOc1ccccc1NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O,0,0.0,
+CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O,0,0.0,
+CCOc1ccccc1NC(=O)Cn1cnc2c(nnn2-c2cccc(OC)c2)c1=O,0,0.0,
+CCOc1ccccc1NC(=O)Cn1nnc(-c2ccc(OCC)c(OCC)c2)n1,0,0.0,
+CCOc1ccccc1NC(=O)Cn1nnc(C(=O)NCc2ccco2)c1N,0,0.0,
+CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)cc2)c1N,0,0.0,
+CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Cl)c1N,0,0.0,
+CCOc1ccccc1NC(=O)N1C2CCCC1CC(NC(=O)C1CC1)C2,0,0.0,
+CCOc1ccccc1NC(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1,0,0.0,
+CCOc1ccccc1NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1,0,0.0,
+CCOc1ccccc1NC(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1,0,0.0,
+CCOc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,0,0.0,
+CCOc1ccccc1NC(=O)N1CCC(n2nnc3cc(C)ccc32)CC1,0,0.0,
+CCOc1ccccc1NC(=O)N1CCCC(c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)C1,0,0.0,
+CCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc(-n2cnnn2)c(C)c1,0,0.0,
+CCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc(NC(C)=O)cc1,0,0.0,
+CCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1nnc(CC)s1,0,0.0,
+CCOc1ccccc1NC(=O)NC1(C(=O)N2CCN3CCCC3C2)CCCCC1,0,0.0,
+CCOc1ccccc1NC(=O)NC1(C(=O)N2CCOCC2)CCCCC1,0,0.0,
+CCOc1ccccc1NC(=O)NC1CC2CCCC(C1)N2Cc1nnnn1CCc1ccccc1,0,0.0,
+CCOc1ccccc1NC(=O)NC1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1,0,0.0,
+CCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC,0,0.0,
+CCOc1ccccc1NC(=O)c1c(NC(=O)CNCc2ccco2)sc2c1CCC2,1,100.0,
+CCOc1ccccc1NC(=O)c1cc(CC(C)C)oc1C,1,100.0,0.0
+CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1,0,0.0,
+CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F,0,0.0,
+CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,0,0.0,
+CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CCOc1ccccc1NC(=O)c1ccc2nccnc2c1,0,0.0,
+CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+CCOc1ccccc1NC(=O)c1cccc2c1C(=O)N(CCOC)C2,0,0.0,
+CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1,0,0.0,
+CCOc1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,0,0.0,
+CCOc1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O,0,0.0,
+CCOc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+CCOc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1OCC,0,0.0,
+CCOc1ccccc1NC1=NCC(=O)N1Cc1ccc(F)cc1,0,0.0,
+CCOc1ccccc1NC1c2ccccc2C(=O)N1Cc1ccco1,1,100.0,0.0
+CCOc1ccccc1NC1c2ccccc2C(=O)N1c1ccc(C)cn1,0,0.0,
+CCOc1ccccc1NC1c2ccccc2C(=O)N1c1cccnc1,0,0.0,
+CCOc1ccccc1NC=C1C(=O)OC(C)(C)OC1=O,0,0.0,
+CCOc1ccccc1NS(=O)(=O)c1c(C)noc1C,0,0.0,
+CCOc1ccccc1NS(=O)(=O)c1ccc(Br)s1,0,0.0,
+CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1,0,0.0,
+CCOc1ccccc1NS(=O)(=O)c1cccs1,0,0.0,
+CCOc1ccccc1Nc1cc(C)nc2nc(C)nn12,0,0.0,
+CCOc1ccccc1Nc1ccc(C(=O)O)cc1NC(C)=O,0,0.0,
+CCOc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1,0,0.0,
+CCOc1ccccc1Nc1nc(N)nc(CSc2nccc(C)n2)n1,0,0.0,
+CCOc1ccccc1Nc1nc(N)nc(CSc2nncn2C)n1,0,0.0,
+CCOc1ccccc1Nc1nc2ccccc2[nH]1,0,0.0,
+CCOc1ccccc1Nc1nc2ccccc2n2cnnc12,0,0.0,
+CCOc1ccccc1Nc1ncccc1C(=O)N1CCCC1,0,0.0,
+CCOc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+CCOc1ccccc1Nc1ncnc2ccccc12,0,0.0,
+CCOc1ccccc1Nc1nnc(C)c(=O)[nH]1,0,0.0,
+CCOc1ccccc1Nc1nnc(Cc2ccccc2Cl)c(=O)[nH]1,0,0.0,
+CCOc1ccccc1Nc1nnc(SCC(=O)N2CCCC2)s1,0,0.0,
+CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cc(C)on2)s1,0,0.0,
+CCOc1ccccc1Nc1nnc(SCc2ccc(C(=O)OC)o2)s1,0,0.0,
+CCOc1ccccc1OC(=O)c1ccco1,0,0.0,
+CCOc1ccccc1OCC(=O)N1CCCc2ccccc21,0,0.0,
+CCOc1ccccc1OCC(=O)NCc1ccco1,0,0.0,
+CCOc1ccccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1,0,0.0,
+CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1,0,0.0,
+CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0,0.0,
+CCOc1ccccc1OCC(=O)Nc1nnc(C)s1,0,0.0,
+CCOc1ccccc1OCC(=O)Nc1nnc(COC)s1,0,0.0,
+CCOc1ccccc1OCC(=O)O,0,0.0,
+CCOc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl,0,0.0,
+CCOc1ccccc1OCC(O)CNC,0,0.0,
+CCOc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1,0,0.0,
+CCOc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1,0,0.0,
+CCOc1ccccc1OCCCC(=O)NC1=NCCS1,0,0.0,
+CCOc1ccccc1OCCCC(=O)Nc1ccc(OC)nc1,0,0.0,
+CCOc1ccccc1OCCCCCc1c(C)n[nH]c1C,0,0.0,
+CCOc1ccccc1OCCCCN1CCCC1,0,0.0,
+CCOc1ccccc1OCCOCCN1CC(C)OC(C)C1,0,0.0,
+CCOc1ccccc1OCCn1nnc2ccccc21,0,0.0,
+CCOc1ccccc1OCc1nn2c(-c3ccc(C)cc3)nnc2s1,0,0.0,
+CCOc1ccccc1OCc1nn2c(COc3ccccc3)nnc2s1,0,0.0,
+CCOc1ccccc1Oc1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O,0,0.0,
+CCOc1ccccc1Oc1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O,0,0.0,
+CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)N3CCOCC3)ccc2c1=O,0,0.0,
+CCOc1ccccc1Oc1ccc(C(F)(F)F)cn1,0,0.0,
+CCOc1ccccc1Oc1coc2cc(O)ccc2c1=O,0,0.0,
+CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccco3)ccc2c1=O,0,0.0,
+CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccnc2)n1,0,0.0,
+CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(COC)n1,0,0.0,
+CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1,0,0.0,
+CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2cccnc2)n1,0,0.0,
+CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2ccncc2)n1,0,0.0,
+CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(C)n1,0,0.0,
+CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(OC)c(OC)c2)n1,0,0.0,
+CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccnc2)n1,0,0.0,
+CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1,0,0.0,
+CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccncc2)n1,0,0.0,
+CCOc1nc(-c2ccccc2)ccc1-c1noc(COC)n1,0,0.0,
+CCOc1nc(-c2ccccc2)ccc1-c1noc(COc2ccccc2)n1,0,0.0,
+CCOc1nc(-c2ccccc2O)nc2ccccc12,0,0.0,
+CCOc1nc(-c2ccncc2)nc2ccccc12,0,0.0,
+CCOc1nc(C#N)nc(N2CCCCC2)n1,1,100.0,1.0
+CCOc1nc(C)ccc1-c1noc(-c2ccccc2OC)n1,0,0.0,
+CCOc1nc(C)ccc1-c1noc(-c2ccccn2)n1,0,0.0,
+CCOc1nc(C)ccc1-c1noc(-c2ccco2)n1,0,0.0,
+CCOc1nc(C)ccc1-c1noc(-c2ccncc2)n1,0,0.0,
+CCOc1nc(C)ccc1-c1noc(C)n1,0,0.0,
+CCOc1nc(CC)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1,0,0.0,
+CCOc1nc(N(C)C)nc(-n2nnc(C(C)=O)c2C)n1,0,0.0,
+CCOc1nc(NCCC2=CCCCC2)nc(N2CCOCC2)n1,0,0.0,
+CCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1,0,0.0,
+CCOc1nc(NCc2ccco2)nc(Nc2ccc(OC)cc2)n1,0,0.0,
+CCOc1nc(Nc2ccc(-c3nc4ccccc4o3)cc2)nc(N2CCOCC2)n1,0,0.0,
+CCOc1nc(OCC)nc(-n2cc(-c3ccccc3)nn2)n1,0,0.0,
+CCOc1nc(OCC)nc(N2CCC(C)CC2)n1,0,0.0,
+CCOc1nc(Oc2cccc(C(=O)O)c2)nc(Oc2cccc(C(=O)O)c2)n1,0,0.0,
+CCOc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1,0,0.0,
+CCOc1nc(SC(C(C)=O)C(=O)Nc2ccccc2)nc(N(C)C)n1,0,0.0,
+CCOc1nc(SCCOc2ccc(C)cc2)nc(N(C)C)n1,0,0.0,
+CCOc1nc(SCCOc2ccccc2)nc(N(C)C)n1,0,0.0,
+CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl,0,0.0,
+CCOc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1,0,0.0,
+CCOc1ncccc1C(=O)NCC1(N2CCOCC2)CCCCC1,0,0.0,
+CCOc1ncccc1C(=O)NCC1COc2ccccc2O1,0,0.0,
+CCOc1ncccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1,0,0.0,
+CCOc1ncccc1C(=O)Nc1ccc(Cl)cc1,0,0.0,
+CCOc1ncccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1,0,0.0,
+CCOc1ncccc1C(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)CCO)c2)c1,0,0.0,
+CCOc1ncccc1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CCOc1ncccc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+CCOc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+CCOc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CCOc1ncccc1C(=O)OCC(=O)NCCc1ccc(OC)cc1,0,0.0,
+CCOc1ncccc1C(=O)OCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC,0,0.0,
+CCOc1ncccc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl,0,0.0,
+CCOc1ncccc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O,0,0.0,
+CCOc1ncccc1C(=O)OCC(=O)c1cc(C)n(Cc2ccco2)c1C,0,0.0,
+CCOc1ncccc1C(=O)OCC(=O)c1ccc[nH]1,0,0.0,
+CCOc1ncccc1C(=O)OCCN1C(=O)c2ccccc2C1=O,0,0.0,
+CCOc1ncccc1C(=O)OCc1cc(=O)n2c(n1)sc1ccccc12,0,0.0,
+CCOc1ncccc1C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12,0,0.0,
+CCOc1ncccc1C(=O)OCc1ccc(C(=O)OC)o1,0,0.0,
+CCOc1ncccc1C(=O)OCc1cn2cc(Cl)ccc2n1,0,0.0,
+CCOc1ncccc1C(=O)OCc1nnc(-c2ccccc2)o1,0,0.0,
+CCOc1ncccc1C(=O)Oc1ccc2c(c1)OCO2,0,0.0,
+CCOc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3,0,0.0,
+CCOc1nonc1C(=N)/C(C(C)=O)=C(\C)O,0,0.0,
+CCOn1c(=O)c(-c2cc3ccccc3o2)[n+]([O-])c2ccccc21,0,0.0,
+CCOn1c(=O)c(-c2ccc(OC)cc2)[n+]([O-])c2ccccc21,0,0.0,
+CCOn1c(=O)c(=O)n(OCc2ccccc2)c2ccccc21,0,0.0,
+CCP(=O)(CC)CCc1ccccc1O,0,0.0,
+CCP(=O)(CC)c1cccc(N)c1,0,0.0,
+CCP(=O)(c1ccccc1)C(C)(C)O,0,0.0,
+CCS(=O)(=O)/N=C(\N)c1ccccc1,0,0.0,
+CCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CC,0,0.0,
+CCS(=O)(=O)C(=C1NCCN1)S(=O)(=O)CC,0,0.0,
+CCS(=O)(=O)C(=C1NCCO1)S(=O)(=O)CC,0,0.0,
+CCS(=O)(=O)CCSc1nc(C)cc(C)c1C#N,0,0.0,
+CCS(=O)(=O)CCSc1nc(C)cc(C)n1,0,0.0,
+CCS(=O)(=O)CCSc1nc2c(cc1C#N)CCCC2,0,0.0,
+CCS(=O)(=O)CCSc1nc2ccccc2o1,0,0.0,
+CCS(=O)(=O)CCSc1nc2ccccc2s1,0,0.0,
+CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(Cc3ccccc3)CC2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCN(c3ccccc3F)CC2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCCCOC)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1,1,100.0,0.0
+CCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(C)cc2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCc2cccc(OC)c2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2OC)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(C(=O)OCC(=O)c2ccc(Br)cc2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(NC(=O)C2CCCCC2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(NC(=O)c2ccco2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(NC(C)=O)(c2ccccc2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1,0,0.0,
+CCS(=O)(=O)N1CCC(c2nc(-c3ccc(C)cc3)no2)CC1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NC2CCC(C)CC2)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2C)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCC2CCCO2)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2=O)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCCCOC(C)C)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCCCOC)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCCN(C)Cc2ccccc2)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(OC)c(OC)c2)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCc2ccc(C)cc2)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCc2ccc3c(c2)OCO3)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCc2cccc(OC)c2)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(C(=O)NCc2cccnc2)C1,0,0.0,
+CCS(=O)(=O)N1CCCC(c2nc(-c3cccc(OC)c3)no2)C1,0,0.0,
+CCS(=O)(=O)N1CCN(C(=O)CC(C)C)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(C2CCC(C)CC2)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(C2CCC(c3ccccc3)CC2)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(Cc2ccccc2OC)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(Cc2ccncc2)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+CCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1,0,0.0,
+CCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1,0,0.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCN(c2cccc(C)c2C)CC1,0,0.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nc2ccccc2[nH]1,0,0.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)OCC(=O)Nc1ccc(C)cc1,0,0.0,
+CCS(=O)(=O)NC(C)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+CCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1,0,0.0,
+CCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccccc2OC)CC1,0,0.0,
+CCS(=O)(=O)NCCCCc1ccccc1,0,0.0,
+CCS(=O)(=O)NCCCc1ccccc1,0,0.0,
+CCS(=O)(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O,0,0.0,
+CCS(=O)(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O,0,0.0,
+CCS(=O)(=O)NCCc1cc2ccc(C)cc2[nH]c1=O,0,0.0,
+CCS(=O)(=O)NCCc1ccc(OC)c(OC)c1,0,0.0,
+CCS(=O)(=O)NCCc1csc(-c2ccccc2)n1,0,0.0,
+CCS(=O)(=O)NCCc1csc(-c2cccnc2)n1,0,0.0,
+CCS(=O)(=O)NCCc1csc(C)n1,0,0.0,
+CCS(=O)(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3,0,0.0,
+CCS(=O)(=O)NCc1cn2c(C)csc2n1,0,0.0,
+CCS(=O)(=O)NCc1cn2ccsc2n1,0,0.0,
+CCS(=O)(=O)NCc1csc(-c2ccccc2)n1,0,0.0,
+CCS(=O)(=O)NCc1csc(C)n1,0,0.0,
+CCS(=O)(=O)Nc1c(C(=O)OC)[nH]c2ccccc12,0,0.0,
+CCS(=O)(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C,0,0.0,
+CCS(=O)(=O)Nc1ccc(-c2ccc(NS(=O)(=O)CC)c(OC)c2)cc1OC,0,0.0,
+CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)OC)o2)cc1,0,0.0,
+CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc(NC(C)=O)c(OC)c3)o2)cc1,0,0.0,
+CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3cccc(OC)c3)o2)cc1,0,0.0,
+CCS(=O)(=O)Nc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)cc1,0,0.0,
+CCS(=O)(=O)Nc1ccc(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1,0,0.0,
+CCS(=O)(=O)Nc1ccc(C(=O)OC)cc1,0,0.0,
+CCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1,0,0.0,
+CCS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2,0,0.0,
+CCS(=O)(=O)Nc1cccc(C(=O)CC2(O)C(=O)Nc3ccccc32)c1,0,0.0,
+CCS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(O)c1,0,0.0,
+CCS(=O)(=O)c1ccc(O)c(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,0,0.0,
+CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1,0,0.0,
+CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1,0,0.0,
+CCS(=O)(=O)c1ccc(S(=O)(=O)CC)s1,0,0.0,
+CCS(=O)(=O)c1ccc2oc(Nc3ccccc3C)nc2c1,0,0.0,
+CCS(=O)(=O)c1ccc2oc(SCC(=O)NCCC3=CCCCC3)nc2c1,0,0.0,
+CCS(=O)(=O)c1ccc2oc(SCC(=O)c3ccco3)nc2c1,0,0.0,
+CCS(=O)(=O)c1nc(NC(C)=O)n[nH]1,0,0.0,
+CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCC1,0,0.0,
+CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCOCC1,1,100.0,0.0
+CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1Cl,0,0.0,
+CCS(=O)(=O)c1nnnn1-c1ccccc1S(C)(=O)=O,0,0.0,
+CCS(=O)(=O)n1nc(-c2ccc(C)cc2)nc1N,0,0.0,
+CCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1N,0,0.0,
+CCS(=O)(=O)n1nc(-c2ccc(OC)cc2)nc1SC,0,0.0,
+CCS(=O)(=O)n1nc(-c2ccccc2)cc1N,0,0.0,
+CCS(=O)(=O)n1nc(-c2ccccc2)nc1N,0,0.0,
+CCS(=O)(=O)n1nc(-c2ccccc2)nc1NCc1ccco1,0,0.0,
+CCS(=O)(=O)n1nc(-c2ccccc2)nc1SCc1ccccc1,0,0.0,
+CCS(=O)(=O)n1nc(-c2ccco2)nc1SC,0,0.0,
+CCS(=O)(=O)n1nc(C(=O)N2CCOCC2)nc1N,0,0.0,
+CCS(=O)(=O)n1nc(NCc2cccc(OC)c2)nc1NCc1cccc(OC)c1,0,0.0,
+CC[S+]([O-])c1ccccc1C(=O)O,0,0.0,
+CCSC(=Nc1ccccc1)C1=C(O)COC1=O,0,0.0,
+CCSC(C)CC1C/C(=N/O)c2c(C)noc2C1,0,0.0,
+CCSC(C)CC1CC(=O)CC(=O)C1,0,0.0,
+CCSC(SCC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,0,0.0,
+CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(OC)c(OC)c3OC)C12C#N,0,0.0,
+CCSC1(SCC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=C(C)C12C#N,0,0.0,
+CCSC1(SCC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=CC12C#N,0,0.0,
+CCSC1(SCC)N=C(N)C2(C#N)C(c3ccccc3)NC3=C(CCC3)C12C#N,0,0.0,
+CCSC1=C(C#N)C(=O)n2c1cc1c2CCCC1,0,0.0,
+CCSC1=C(C#N)C(c2ccc(C)s2)CC(=O)N1,0,0.0,
+CCSC1=C(C#N)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N1,0,0.0,
+CCSC1=C(C#N)C(c2ccc(F)cc2)CC(=O)N1,0,0.0,
+CCSC1=C(C#N)C(c2ccc(OC)c(OC)c2)CC(=O)N1,0,0.0,
+CCSC1=C(C#N)C(c2cccc(Br)c2)CC(=O)N1,1,100.0,
+CCSC1=C(C#N)C(c2cccc(O)c2)CC(=O)N1,0,0.0,
+CCSC1=C(C#N)C(c2cccc(OC)c2)CC(=O)N1,0,0.0,
+CCSC1=C(C#N)C(c2ccccc2C)CC(=O)N1,0,0.0,
+CCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1,0,0.0,
+CCSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1,0,0.0,
+CCSC1=C(C#N)C(c2cccs2)C(C(=O)OC)=C(C)N1,0,0.0,
+CCSC1=C(C#N)C2(CCCC2)C(C#N)=C(N)N1,0,0.0,
+CCSC1=C(C#N)C2(CCCCC2)C(C#N)=C(N)N1,1,100.0,0.0
+CCSC1=C(C#N)C2(CCCCC2)C(C#N)C(=O)N1,0,0.0,
+CCSC1=N/C(=C\c2ccc(C(=O)O)cc2)C(=O)S1,0,0.0,
+CCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1,0,0.0,
+CCSC1=NC(=O)/C(=C2/C=Cc3ccccc3N2CC)S1,0,0.0,
+CCSC1=NCN(CCCC(=O)O)CN1,0,0.0,
+CCSCC1COC(c2cccn2Cc2ccc(C)cc2)=N1,0,0.0,
+CCSCCC(NC1=CC(=O)CC(C)(C)C1)C(=O)O,0,0.0,
+CCSCCNC(=O)c1cc(-n2cnnc2)ccc1Cl,0,0.0,
+CCSCCNC(=O)c1cncc(Br)c1,0,0.0,
+CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(OC)ccc1OC,0,0.0,
+CCSCCOC(=O)C1=C(C)NC(=O)NC1c1cc(OC)ccc1OC,0,0.0,
+CCSCCOC(=O)C1=C(C)NC(=O)NC1c1ccc2c(c1)OCO2,0,0.0,
+CCSCCOC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OC,0,0.0,
+CCSCCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1,0,0.0,
+CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1coc2ccccc2c1=O,0,0.0,
+CCSCc1nnc(SCC(=O)Nc2cccc(SC)c2)n1C,0,0.0,
+CCSCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C,0,0.0,
+CCSCc1nnc(SCC(=O)c2ccc(OC)cc2)n1C,0,0.0,
+CCSP1(=S)N=C(N2CCOCC2)C(C#N)=C2CCCN21,0,0.0,
+CCSc1cc(C2C(C#N)=C(N)OC(C)=C2C(=O)OC)c(C)o1,0,0.0,
+CCSc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(C)o1,0,0.0,
+CCSc1cc(C2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)o1,0,0.0,
+CCSc1ccc2nnc(-c3ccc(F)cc3)n2n1,0,0.0,
+CCSc1ccc2nnc(-c3cccc(F)c3)n2n1,0,0.0,
+CCSc1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CCSc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+CCSc1ccccc1C(=O)NCC1CCCO1,0,0.0,
+CCSc1ccccc1C(=O)NCCCn1ccnc1,0,0.0,
+CCSc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CCSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CCSc1ccccc1C(=O)Nc1cc(C)on1,1,100.0,0.0
+CCSc1ccccc1C(=O)Nc1cccc(OC)c1,0,0.0,
+CCSc1ccccc1C(=O)Nc1cccnc1,0,0.0,
+CCSc1ccccc1C(=O)Nc1nncs1,0,0.0,
+CCSc1ccccc1C(=O)n1nnc2ccccc21,0,0.0,
+CCSc1cnc(-c2ccccc2)n1CC,0,0.0,
+CCSc1nc(-c2ccc(OC)cc2)ccc1C#N,0,0.0,
+CCSc1nc(-c2ccc(OC)cc2)n(-c2nc3ccccc3s2)n1,0,0.0,
+CCSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1,0,0.0,
+CCSc1nc(-c2ccco2)ccc1C#N,0,0.0,
+CCSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCSc1nc(=O)n(-c2ccccc2)c(C)c1C(C)=O,0,0.0,
+CCSc1nc(=S)n(CC)c(C)c1C(C)=O,0,0.0,
+CCSc1nc(C)c(CC)c(C)c1C(N)=O,0,0.0,
+CCSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1,0,0.0,
+CCSc1nc(C)nc2c1oc1ccccc12,0,0.0,
+CCSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N,0,0.0,
+CCSc1nc(N)c2c3c(sc2n1)CCC3,0,0.0,
+CCSc1nc(N)c2c3c(sc2n1)CN(C)CC3,0,0.0,
+CCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2,0,0.0,
+CCSc1nc(N2CCOCC2)c2ccccc2n1,0,0.0,
+CCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1-c1ccccc1,0,0.0,
+CCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1CC,0,0.0,
+CCSc1nc(O)c(CC)c(=O)n1C(C)CC,0,0.0,
+CCSc1nc(O)cc(=O)n1-c1ccc(OC)cc1,0,0.0,
+CCSc1nc2c([nH]c3ccccc32)c(=O)n1C,1,100.0,0.0
+CCSc1nc2c(c(=O)[nH]1)C(C(C)C)C(C#N)=C(N)O2,0,0.0,
+CCSc1nc2c(c(=O)[nH]1)C(c1ccccn1)C1=C(CC(C)(C)CC1=O)N2,0,0.0,
+CCSc1nc2c(c(=O)[nH]1)C(c1cccnc1)C(C(=O)OC(C)C)=C(C)N2,0,0.0,
+CCSc1nc2c(c(=O)[nH]1)C(c1cccnc1)C(C(=O)OC)=C(C)N2,0,0.0,
+CCSc1nc2c(c(=O)[nH]1)C(c1ccncc1)C(C(=O)OC(C)C)=C(C)N2,0,0.0,
+CCSc1nc2c(c(=O)[nH]1)C(c1ccncc1)C(C(=O)OC)=C(C)N2,0,0.0,
+CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C,0,0.0,
+CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl,0,0.0,
+CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccccc1C,0,0.0,
+CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1,0,0.0,
+CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,1,100.0,0.0
+CCSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2,0,0.0,
+CCSc1nc2c(c(=O)n1CC)SC(C)C2,0,0.0,
+CCSc1nc2c(c(=O)n1Cc1ccccc1)SC(C)C2,1,100.0,1.0
+CCSc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1,0,0.0,
+CCSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1,0,0.0,
+CCSc1nc2cc(C(=O)OC)ccc2c(=O)n1CC,0,0.0,
+CCSc1nc2cc(OC)c(OC)cc2c(=O)n1CC,1,100.0,0.0
+CCSc1nc2ccccc2n1CC(=O)N1CCCCC1,0,0.0,
+CCSc1nc2ccccc2n1CC(=O)N1CCOCC1,0,0.0,
+CCSc1nc2ccccc2n1CC(=O)OC,0,0.0,
+CCSc1nc2ccccc2n1CC(N)=O,0,0.0,
+CCSc1nc2ccccc2n1CCC(=O)O,0,0.0,
+CCSc1nc2ccccc2n1Cc1nc(N)nc(N(C)C)n1,0,0.0,
+CCSc1nc2ccccc2n1S(=O)(=O)c1ccccc1,0,0.0,
+CCSc1nc2n(n1)C(c1cccc(F)c1)C1=C(CCCC1=O)N2,0,0.0,
+CCSc1nc2nc(C)cc(C)n2n1,0,0.0,
+CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3,1,100.0,
+CCSc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n12)CCCC3,0,0.0,
+CCSc1ncc(C#N)c(=O)[nH]1,0,0.0,
+CCSc1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)n1,0,0.0,
+CCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)n1,0,0.0,
+CCSc1ncnc2c(C#N)c3n(c12)CCCCC3,0,0.0,
+CCSc1ncnc2c1oc1ccccc12,0,0.0,
+CCSc1nnc(-c2ccc(Cl)cc2Cl)o1,1,100.0,
+CCSc1nnc(-c2ccc(OC)cc2)o1,0,0.0,
+CCSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CC1CCCO1,0,0.0,
+CCSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1,0,0.0,
+CCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cc(OC)ccc1OC,0,0.0,
+CCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1Cc1ccccc1,0,0.0,
+CCSc1nnc(-c2ccccc2N)c(=O)[nH]1,0,0.0,
+CCSc1nnc(-c2ccccc2NC(=O)CC)c(=O)[nH]1,0,0.0,
+CCSc1nnc(-c2ccccc2NC(C)=O)c(=O)[nH]1,0,0.0,
+CCSc1nnc(-c2cccs2)o1,0,0.0,
+CCSc1nnc(C)c2ccccc12,0,0.0,
+CCSc1nnc(C)n1-c1ccc(C(=O)O)cc1,0,0.0,
+CCSc1nnc(CNc2ccc(F)cc2)n1CC1CCCO1,0,0.0,
+CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C,0,0.0,
+CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1,0,0.0,
+CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1,0,0.0,
+CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(C)c1,0,0.0,
+CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccc(OC)cc1,0,0.0,
+CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C,0,0.0,
+CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C,0,0.0,
+CCSc1nnc(N(CCC#N)CCC#N)s1,0,0.0,
+CCSc1nnc(N(CCC(=O)O)CCC(=O)O)s1,0,0.0,
+CCSc1nnc(N)s1,0,0.0,
+CCSc1nnc(N2C(=O)CC(c3ccsc3)C3=C2CC(C)(C)CC3=O)s1,0,0.0,
+CCSc1nnc(NC(=O)C(C(F)(F)F)C(F)(F)F)s1,0,0.0,
+CCSc1nnc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)s1,0,0.0,
+CCSc1nnc(NC(=O)C(C)(C)C)s1,0,0.0,
+CCSc1nnc(NC(=O)C(C)C)s1,0,0.0,
+CCSc1nnc(NC(=O)C(CC)(C(F)(F)F)C(F)(F)F)s1,0,0.0,
+CCSc1nnc(NC(=O)C(CC)Oc2ccccc2)s1,0,0.0,
+CCSc1nnc(NC(=O)C(Cc2ccccc2)n2cccc2)s1,0,0.0,
+CCSc1nnc(NC(=O)C2(C)Cc3ccccc3C(=O)O2)s1,0,0.0,
+CCSc1nnc(NC(=O)C2CC=CCC2C(=O)O)s1,0,0.0,
+CCSc1nnc(NC(=O)C2CCCCC2)s1,0,0.0,
+CCSc1nnc(NC(=O)C2CCCCC2C(=O)OCC(F)(F)C(F)F)s1,0,0.0,
+CCSc1nnc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)s1,0,0.0,
+CCSc1nnc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)s1,0,0.0,
+CCSc1nnc(NC(=O)CC)s1,0,0.0,
+CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1,0,0.0,
+CCSc1nnc(NC(=O)CCc2ccccc2)s1,0,0.0,
+CCSc1nnc(NC(=O)CCn2c(=O)oc3ccccc32)s1,0,0.0,
+CCSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nc(CC)nc3c2c(=O)n(C)c(=O)n3C)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2CC)SC(C)C3)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2CCOC)SC(C)C3)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2ncccn2)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2C)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)s1,0,0.0,
+CCSc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)s1,0,0.0,
+CCSc1nnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1,0,0.0,
+CCSc1nnc(NC(=O)NC(CC)(C(F)(F)F)C(F)(F)F)s1,1,100.0,
+CCSc1nnc(NC(=O)NCC(F)(F)F)s1,0,0.0,
+CCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1,0,0.0,
+CCSc1nnc(NC(=O)c2cc(C)oc2C)s1,0,0.0,
+CCSc1nnc(NC(=O)c2cc3c(s2)CCCC3)s1,0,0.0,
+CCSc1nnc(NC(=O)c2ccc(Br)s2)s1,0,0.0,
+CCSc1nnc(NC(=O)c2ccc(C)o2)s1,0,0.0,
+CCSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1,0,0.0,
+CCSc1nnc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)s1,0,0.0,
+CCSc1nnc(NC(=O)c2ccccc2)s1,0,0.0,
+CCSc1nnc(NC(=O)c2ccccn2)s1,0,0.0,
+CCSc1nnc(NC(=O)c2cccnc2)s1,0,0.0,
+CCSc1nnc(NC(=O)c2ccco2)s1,0,0.0,
+CCSc1nnc(NC(=O)c2cccs2)s1,0,0.0,
+CCSc1nnc(NC(=O)c2cnccn2)s1,0,0.0,
+CCSc1nnc(NC(=O)c2csc(C)c2)s1,0,0.0,
+CCSc1nnc(NC(=O)c2csc3c2CCC(C)C3)s1,0,0.0,
+CCSc1nnc(NC(=O)c2csc3c2CCCC3)s1,0,0.0,
+CCSc1nnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1,0,0.0,
+CCSc1nnc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)s1,0,0.0,
+CCSc1nnc(NC(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)s1,0,0.0,
+CCSc1nnc(Nc2ccccc2)s1,0,0.0,
+CCSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1,0,0.0,
+CCSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1,0,0.0,
+CCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1,0,0.0,
+CCSc1nnc2c(Cl)cc(Cl)cn12,0,0.0,
+CCSc1nnc2c(n1)OC(C)(C)Nc1ccccc1-2,0,0.0,
+CCSc1nnc2c(n1)OC(c1ccc(C(=O)O)cc1)N(C(C)=O)c1ccccc1-2,0,0.0,
+CCSc1nnc2c(n1)OC1(CCCC1)Nc1ccccc1-2,0,0.0,
+CCSc1nnc2c(n1)OC=Nc1ccc(Br)cc1-2,0,0.0,
+CCSc1nnc2c(n1)[nH]c1c(C)cccc12,0,0.0,
+CCSc1nncn1/N=C/c1ccc(OC)c(OC)c1,0,0.0,
+CCSc1nsc(SCC)c1C(N)=O,0,0.0,
+CCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1,0,0.0,
+CCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1,0,0.0,
+CCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,0,0.0,
+CCSc1sccc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2,1,100.0,0.0
+CCSc1sccc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2,0,0.0,
+CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)O,0,0.0,
+CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cc(C)ccc2C)o1,0,0.0,
+CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NCC(=O)O)CC1,0,0.0,
+CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,0,0.0,
+CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C,1,100.0,
+CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,0,0.0,
+CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)O)CC1,0,0.0,
+CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)C(C)C)CC1,0,0.0,
+CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21,0,0.0,
+CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@]2(C)O[C@H]2[C@@H]1C,0,0.0,
+CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,0,0.0,
+CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,1,100.0,
+CC[N+](C)(C)Cc1ccccc1Br,0,0.0,
+CC[N+](C)(C)c1cccc(O)c1,0,0.0,
+CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,1,100.0,1.0
+CC[N+](CC)(CC)C/C(N)=N/O,0,0.0,
+CC[N+](CC)(CCO)CCCN1C(=O)C2CC=C(Cl)CC2C1=O,0,0.0,
+CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,1,100.0,1.0
+CC[n+]1cc(-c2ccccc2)nc(N2CCOCC2)n1,0,0.0,
+CC[n+]1ccc(C)c2cc([S+]([O-])C(F)(F)F)ccc21,0,0.0,
+CCc1[nH]c(=O)c(C#N)c2c1CCCC2,0,0.0,
+CCc1[nH]c(=O)c(C#N)c2c1CSC(C)(C)C2,0,0.0,
+CCc1[nH]c(C)c(C(C)=O)c1C,0,0.0,
+CCc1[nH]nc2c1C(C(C)C)C(C#N)=C(N)O2,0,0.0,
+CCc1[nH]nc2c1C(c1ccc(Br)s1)C(C#N)=C(N)O2,1,100.0,
+CCc1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2,0,0.0,
+CCc1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2,0,0.0,
+CCc1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2,0,0.0,
+CCc1[nH]nc2c1C1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2,0,0.0,
+CCc1[nH]nc2c1C1(CCN(C(=O)OCc3ccccc3)CC1)C(C#N)=C(N)O2,0,0.0,
+CCc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)C(C#N)=C(N)O2,0,0.0,
+CCc1[nH]nc2c1C1(CCOC1C)C(C#N)=C(N)O2,0,0.0,
+CCc1c(-c2ccccc2)nc2nc(C)c(C)nn12,0,0.0,
+CCc1c(C#N)c(N)nc(SCC(=O)OCc2ccccc2)c1C#N,0,0.0,
+CCc1c(C#N)c(SCc2c(C)noc2C)nc2c1C(=O)CC(C)(C)C2,0,0.0,
+CCc1c(C(=O)N2CCOCC2)csc1C,0,0.0,
+CCc1c(C(=O)NC2CCCC2)csc1C,1,100.0,0.0
+CCc1c(C(=O)NC2CCCCC2)[nH]c(C)c1C(C)=O,0,0.0,
+CCc1c(C(=O)NCCc2ccc(OC)c(OC)c2)[nH]c(C)c1C(C)=O,0,0.0,
+CCc1c(C(=O)NCc2ccc3c(c2)OCO3)[nH]c(C)c1C(C)=O,0,0.0,
+CCc1c(C(=O)NCc2ccccc2Cl)[nH]c(C)c1C(C)=O,0,0.0,
+CCc1c(C(=O)NCc2cnn(C)c2)csc1C,0,0.0,
+CCc1c(C(=O)Nc2cc(C)ccc2OC)[nH]c(C)c1C(C)=O,0,0.0,
+CCc1c(C(=O)Nc2ccc(OC)c(Cl)c2)[nH]c(C)c1C(C)=O,0,0.0,
+CCc1c(C(=O)Nc2ccc(OC)cc2)[nH]c(C)c1C(C)=O,0,0.0,
+CCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)csc1C,0,0.0,
+CCc1c(C(=O)Nc2ccncc2)csc1C,0,0.0,
+CCc1c(C(=O)Nc2ncn(Cc3cccc(C)c3)n2)csc1C,0,0.0,
+CCc1c(C(=O)Nc2nnc(C3CC3)s2)csc1C,0,0.0,
+CCc1c(C(=O)O)[nH]c2ccc(Br)cc12,0,0.0,
+CCc1c(C(C)O)oc2ccc3c(C)cc(=O)oc3c12,0,0.0,
+CCc1c(C)[nH]c(=S)c(C#N)c1C,0,0.0,
+CCc1c(C)[nH]c2ccccc2c1=O,0,0.0,
+CCc1c(C)[nH]n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)c1=O,0,0.0,
+CCc1c(C)[nH]n(CCC#N)c1=O,0,0.0,
+CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1nc(C)cc1C,0,0.0,
+CCc1c(C)c(C#N)c2nc3ccccc3n2c1N(C)C,1,100.0,
+CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN(C)C,0,0.0,
+CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+CCc1c(C)c2c(C)[nH]nc2oc1=O,0,0.0,
+CCc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O,0,0.0,
+CCc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O,0,0.0,
+CCc1c(C)c2cc(Cl)c(O)c(CN(CC)CC)c2oc1=O,0,0.0,
+CCc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O,0,0.0,
+CCc1c(C)c2ccc(O)c(CN(C)C)c2oc1=O,0,0.0,
+CCc1c(C)c2ccc(OCC(=O)N(C)C)c(C)c2oc1=O,0,0.0,
+CCc1c(C)c2ccc(OCC(=O)OC(C)C)c(C)c2oc1=O,0,0.0,
+CCc1c(C)c2ccc(OCC(=O)OC)cc2oc1=O,0,0.0,
+CCc1c(C)c2ccc(OCC(N)=O)cc2oc1=O,0,0.0,
+CCc1c(C)c2nncn2[nH]c1=O,0,0.0,
+CCc1c(C)n([O-])c2c([n+]1=O)CCC2,0,0.0,
+CCc1c(C)n([O-])c2c([n+]1=O)CCCCC2,0,0.0,
+CCc1c(C)n2nc(C)cc2[nH]c1=O,0,0.0,
+CCc1c(C)nc(/N=C(/NC(=O)c2ccccc2)Nc2ccccc2OC)[nH]c1=O,0,0.0,
+CCc1c(C)nc(N)n2c(SCC(=O)N3CCC(C)CC3)nnc12,0,0.0,
+CCc1c(C)nc(N)n2c(SCC(=O)N3CCCC(C)C3)nnc12,0,0.0,
+CCc1c(C)nc(N)n2c(SCC(=O)N3CCCc4ccccc43)nnc12,0,0.0,
+CCc1c(C)nc(N)n2c(SCC(=O)N3CCN(c4ccccc4)CC3)nnc12,0,0.0,
+CCc1c(C)nc(N)n2c(SCC(=O)N3CCN(c4ccccc4F)CC3)nnc12,0,0.0,
+CCc1c(C)nc(N)n2c(SCC(=O)N3CCN(c4ccccc4OC)CC3)nnc12,0,0.0,
+CCc1c(C)nc(N)n2c(SCC(=O)Nc3ccccc3OC)nnc12,0,0.0,
+CCc1c(C)nc(N)nc1OCC(F)(F)C(F)F,0,0.0,
+CCc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O,0,0.0,
+CCc1c(C)nc(N2CCOCC2)[nH]c1=O,0,0.0,
+CCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O,0,0.0,
+CCc1c(C)nc(SC)n(CC#N)c1=O,0,0.0,
+CCc1c(C)nc(SCC(=O)CC(=O)OC(C)C)c(C#N)c1C,0,0.0,
+CCc1c(C)nc(SCC(=O)N2CCc3ccccc32)[nH]c1=O,0,0.0,
+CCc1c(C)nc(SCC(=O)Nc2ccc(Br)cc2)[nH]c1=O,0,0.0,
+CCc1c(C)nc(SCC(=O)Nc2cccc(Br)c2)[nH]c1=O,0,0.0,
+CCc1c(C)nc(SCC(=O)c2ccc(C)c(C)c2)[nH]c1=O,0,0.0,
+CCc1c(C)nc(SCCOc2ccc(OC)cc2)[nH]c1=O,0,0.0,
+CCc1c(C)nc2[nH]nc(-c3ccccc3)n2c1=O,0,0.0,
+CCc1c(C)nc2[nH]nc(-c3ccccc3C)n2c1=O,0,0.0,
+CCc1c(C)nc2[nH]nc(NC(=O)C(F)(F)F)n2c1=O,0,0.0,
+CCc1c(C)nc2c(C#N)c(C)[nH]n2c1=O,0,0.0,
+CCc1c(C)nc2c(C#N)c[nH]n2c1=O,0,0.0,
+CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCCC1,0,0.0,
+CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCCC1,0,0.0,
+CCc1c(C)nc2cc(-c3ccc(OC)cc3)[nH]n2c1=O,0,0.0,
+CCc1c(C)nc2cc(-c3cccs3)[nH]n2c1=O,0,0.0,
+CCc1c(C)nc2ncnn2c1N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,0,0.0,
+CCc1c(C)nc2ncnn2c1N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1,0,0.0,
+CCc1c(C)nc2ncnn2c1N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1,0,0.0,
+CCc1c(C)nc2ncnn2c1N1CCC(C(=O)NCc2cccc(OC)c2)CC1,0,0.0,
+CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2ccc(C)cc2)CC1,0,0.0,
+CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1,0,0.0,
+CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2ccccc2)CC1,0,0.0,
+CCc1c(C)nc2ncnn2c1N1CCCC(C(=O)NCCc2ccc(OC)cc2)C1,0,0.0,
+CCc1c(C)nc2ncnn2c1N1CCCC(C(=O)NCCc2ccccc2)C1,0,0.0,
+CCc1c(C)nc2ncnn2c1N1CCCC(C(=O)NCc2ccc3c(c2)OCO3)C1,0,0.0,
+CCc1c(C)nc2ncnn2c1N1CCCC(C(=O)NCc2ccco2)C1,1,100.0,
+CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)c(OC)c1,0,0.0,
+CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1,1,100.0,
+CCc1c(C)nc2ncnn2c1Nc1ccc(C#N)c(Cl)c1,0,0.0,
+CCc1c(C)sc(NC(=O)C2CCCCC2C(=O)O)c1C(N)=O,0,0.0,
+CCc1c(C)sc(NC(=O)CC#N)c1C#N,0,0.0,
+CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCCCC1,0,0.0,
+CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCOCC1,0,0.0,
+CCc1c(C)sc(NC(=O)c2cc(-c3cc(OC)ccc3OC)on2)c1C#N,0,0.0,
+CCc1c(C)sc(NC(=O)c2cc(-c3ccco3)on2)c1C#N,0,0.0,
+CCc1c(C)sc(NC(=O)c2cc(C)no2)c1C#N,0,0.0,
+CCc1c(C)sc(NC(=O)c2cc(C)on2)c1C#N,0,0.0,
+CCc1c(C)sc(NC(=O)c2cc(C3CC3)on2)c1C#N,0,0.0,
+CCc1c(C)sc(NC(=O)c2ccc(Br)o2)c1C(=O)OC,0,0.0,
+CCc1c(C)sc(NC(=O)c2ccco2)c1C(=O)N1CCCCC1,0,0.0,
+CCc1c(C)sc(NC(=O)c2ccco2)c1C(=O)N1CCOCC1,0,0.0,
+CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)OC(C)C,0,0.0,
+CCc1c(O)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O,0,0.0,
+CCc1c(O)nc(SCC(=O)N2CCCCC2)n(-c2ccccc2C)c1=O,0,0.0,
+CCc1c(O)nc(SCC(=O)N2CCOCC2)n(-c2ccccc2)c1=O,0,0.0,
+CCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O,0,0.0,
+CCc1c(O)nc(SCC(=O)Nc2ccc(C)cc2)n(C2CCCCC2)c1=O,0,0.0,
+CCc1c(O)nc(SCC(=O)Nc2ccc(OC)cc2)n(C2CCCCC2)c1=O,0,0.0,
+CCc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O,0,0.0,
+CCc1c(O)nc(SCC(=O)Nc2ccccc2)n(-c2ccccc2)c1=O,0,0.0,
+CCc1c(O)nc(SCC(=O)Nc2ccccc2OC)[nH]c1=O,1,100.0,0.0
+CCc1c(O)nc(SCC(N)=O)n(-c2ccccc2F)c1=O,0,0.0,
+CCc1c(O)nc(SCc2ccccc2)n(C(C)CC)c1=O,0,0.0,
+CCc1cc(-c2[nH]ncc2-c2ccc3c(c2)OCO3)c(O)cc1O,0,0.0,
+CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3n2C)c(O)c(CN2CCN(C)CC2)c1O,0,0.0,
+CCc1cc(/C(Cc2ccc3ccccc3n2)=N\O)c(O)cc1O,0,0.0,
+CCc1cc(=O)n2[nH]c(C)c(-c3ccccc3OC)c2n1,0,0.0,
+CCc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12,0,0.0,
+CCc1cc(=O)oc2c(C)c(O)c(CN3CCCCC3)cc12,0,0.0,
+CCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12,0,0.0,
+CCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12,0,0.0,
+CCc1cc(=O)oc2cc(C)c(CN3CCCC(C)C3)c(O)c12,0,0.0,
+CCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12,0,0.0,
+CCc1cc(=O)oc2cc(C)c(CN3CCCCC3)c(O)c12,0,0.0,
+CCc1cc(=O)oc2cc(C)c3c(C)coc3c12,0,0.0,
+CCc1cc(=O)oc2cc(C)cc(O)c12,0,0.0,
+CCc1cc(=O)oc2cc(C)cc(OC(=O)c3ccco3)c12,0,0.0,
+CCc1cc(=O)oc2cc(C)cc(OC(C)C(=O)O)c12,0,0.0,
+CCc1cc(=O)oc2cc(C)cc(OCc3nn[nH]n3)c12,0,0.0,
+CCc1cc(=O)oc2cc(OC(C)=O)cc(OC(C)=O)c12,0,0.0,
+CCc1cc(=O)oc2cc(OCC(=O)N(CC)CC)c(Cl)cc12,0,0.0,
+CCc1cc(=O)oc2cc(OCC(=O)N3CCCc4ccccc43)ccc12,0,0.0,
+CCc1cc(=O)oc2cc(OCC(=O)N3CCc4ccccc43)ccc12,0,0.0,
+CCc1cc(=O)oc2cc(OCC(=O)O)c(Cl)cc12,0,0.0,
+CCc1cc(=O)oc2cc(OCC(=O)OC)c(Cl)cc12,0,0.0,
+CCc1cc(=O)oc2cc(OCc3nn[nH]n3)ccc12,0,0.0,
+CCc1cc(=O)oc2cc3oc(C)c(C)c3cc12,0,0.0,
+CCc1cc(Br)ccc1N1C(=O)C2CC=CCC2C1=O,0,0.0,
+CCc1cc(Br)ccc1NC(=O)C1CCCO1,0,0.0,
+CCc1cc(C(=O)COc2ccccc2F)c(O)cc1O,0,0.0,
+CCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O,0,0.0,
+CCc1cc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)cc1O,0,0.0,
+CCc1cc(C(=O)Cc2nc3ccccc3[nH]2)c(O)cc1O,0,0.0,
+CCc1cc(C(=O)N2CCOCC2)c(NC2=NS(=O)(=O)c3ccccc32)s1,0,0.0,
+CCc1cc(C(=O)NCCN(C)C)cs1,0,0.0,
+CCc1cc(C(=O)Nc2ccccc2)cs1,0,0.0,
+CCc1cc(C(=O)OC)c(N2C(=O)C3C4C=CC(C4)C3C2=O)s1,0,0.0,
+CCc1cc(C(=O)OC)c(NC(=O)CC2NCCNC2=O)s1,0,0.0,
+CCc1cc(C(=O)OC)c(NC(=O)CCC(=O)O)s1,0,0.0,
+CCc1cc(C(=O)OC)c(NC(=O)CCCC(=O)O)s1,0,0.0,
+CCc1cc(C(=O)OC)c(NC(=O)c2cc(Br)cs2)s1,0,0.0,
+CCc1cc(C(=O)c2ccccc2OC)c(N)s1,0,0.0,
+CCc1cc(C)cc(OCCNC(=O)c2ncn[nH]2)c1,0,0.0,
+CCc1cc(C=C(Cl)Cl)oc(=O)c1C,0,0.0,
+CCc1cc(C=NC2CCCCC2)c(O)s1,0,0.0,
+CCc1cc(N2CCOCC2)cc2c1[nH]c1ccccc12,0,0.0,
+CCc1cc2c(-c3ccccc3)cc(=O)oc2c(CN2CCOCC2)c1O,0,0.0,
+CCc1cc2c(=O)[nH]cnc2s1,0,0.0,
+CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(=O)c1ccco1,0,0.0,
+CCc1cc2c(=O)c(-c3ccon3)c(N)oc2cc1OC,0,0.0,
+CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c(CN2CCOCC2)c1O,1,100.0,0.0
+CCc1cc2c(=O)c(-c3cscn3)coc2c(CN(C)C)c1O,0,0.0,
+CCc1cc2c(=O)c(-c3cscn3)coc2cc1O,0,0.0,
+CCc1cc2c(=O)c(-c3cscn3)coc2cc1OC,0,0.0,
+CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCC(C)CC2)c1O,0,0.0,
+CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCCC(C)C2)c1O,0,0.0,
+CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2cc1OC(=O)N1CCOCC1,0,0.0,
+CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(CN2CCN(C)CC2)c1O,0,0.0,
+CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCN(C)CC2)c1O,0,0.0,
+CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCN(CCO)CC2)c1O,0,0.0,
+CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCOCC2)c1O,0,0.0,
+CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(COCC(=O)O)oc2cc1O,0,0.0,
+CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCN(C)CC2)c1O,0,0.0,
+CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCOCC2)c1O,0,0.0,
+CCc1cc2c(=O)c(-n3cnc4ccccc43)coc2cc1O,0,0.0,
+CCc1cc2c(=O)c(Oc3ccccc3)c(C)oc2cc1O,0,0.0,
+CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2c(CN(C)C)c1O,0,0.0,
+CCc1cc2c(=O)n(C(C)C(=O)OC3CCCCC3)cnc2s1,0,0.0,
+CCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCCc4ccccc43)nc2s1,0,0.0,
+CCc1cc2c(=O)n(Cc3ccco3)c(SCc3c(C)noc3C)nc2s1,0,0.0,
+CCc1cc2c(=O)n(N)c(CCC(=O)O)nc2s1,0,0.0,
+CCc1cc2c(C)cc(=O)oc2cc1OC(=O)C1CCCN1C(=O)OC(C)(C)C,0,0.0,
+CCc1cc2c(CN3CCN(C)CC3)cc(=O)oc2cc1O,0,0.0,
+CCc1cc2c(CN3CCN(CC)CC3)cc(=O)oc2cc1O,0,0.0,
+CCc1cc2c(CN3CCN(CCO)CC3)cc(=O)oc2cc1O,0,0.0,
+CCc1cc2c(N3CCCCC3)ncnc2s1,0,0.0,
+CCc1cc2c(N3CCN(c4ccccc4)CC3)ncnc2s1,0,0.0,
+CCc1cc2c(N3CCN(c4nnc(CC)s4)CC3)ncnc2s1,0,0.0,
+CCc1cc2c(NC(C(=O)O)C(C)C)ncnc2s1,0,0.0,
+CCc1cc2c(NCC(=O)O)ncnc2s1,0,0.0,
+CCc1cc2c(NCC3CCCO3)ncnc2s1,0,0.0,
+CCc1cc2c(NCCC(=O)O)nc(C)nc2s1,0,0.0,
+CCc1cc2c(NCCC(=O)O)ncnc2s1,0,0.0,
+CCc1cc2c(NCCN3CCCCC3)ncnc2s1,1,100.0,1.0
+CCc1cc2c(NCCO)ncnc2s1,0,0.0,
+CCc1cc2c(NCc3ccco3)ncnc2s1,0,0.0,
+CCc1cc2c(N[C@@H](C)C(=O)O)ncnc2s1,0,0.0,
+CCc1cc2c(SCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)ncnc2s1,0,0.0,
+CCc1cc2c(SCC(=O)O)ncnc2s1,0,0.0,
+CCc1cc2c(SCC(=O)c3cccs3)ncnc2s1,0,0.0,
+CCc1cc2c(cc(C(=O)O)n2C)s1,0,0.0,
+CCc1cc2c(cc3c(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)nc(CC)n32)s1,0,0.0,
+CCc1cc2c(s1)NC(=O)CN=C2c1cccs1,0,0.0,
+CCc1cc2c3c(c(=O)oc2cc1O)CCCC3,0,0.0,
+CCc1cc2c3c(c(=O)oc2cc1OC)CCCC3,1,100.0,0.0
+CCc1cc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)sc2s1,0,0.0,
+CCc1cc2cc(C(=O)Nc3ccccc3F)sc2s1,0,0.0,
+CCc1cc2cc(C)cc(C)c2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCc1cc2cc(C)ccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCc1cc2cc3c(cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1)OCO3,0,0.0,
+CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cc(C)on1)OCO3,0,0.0,
+CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1cc(C)on1,0,0.0,
+CCc1cc2cccc(C)c2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCc1cc2ccccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CCc1cc2ccccc2nc1SCC(=O)Nc1cc(C)on1,0,0.0,
+CCc1ccc(-c2ccc(C(=O)O)cc2)nc1,0,0.0,
+CCc1ccc(-c2cn(-c3nc(C)cc(C)n3)c(=N)o2)cc1,0,0.0,
+CCc1ccc(-c2cn3nc(C)c(C)nc3n2)cc1,0,0.0,
+CCc1ccc(-c2nc(-c3ccncc3)no2)cc1,0,0.0,
+CCc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1,0,0.0,
+CCc1ccc(-c2nc(CN3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)c(C)o2)cc1,1,100.0,1.0
+CCc1ccc(-c2nc(CN3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)c(C)o2)cc1,1,100.0,0.0
+CCc1ccc(-c2nc(CN3CCC(C(=O)NCCN(CC)c4ccccc4)CC3)c(C)o2)cc1,0,0.0,
+CCc1ccc(-c2nc(CN3CCC(C(=O)NCCc4ccc(OC)c(OC)c4)CC3)c(C)o2)cc1,0,0.0,
+CCc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccc(F)cc4)CC3)c(C)o2)cc1,0,0.0,
+CCc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccccc4OC)CC3)c(C)o2)cc1,0,0.0,
+CCc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccco4)CC3)c(C)o2)cc1,0,0.0,
+CCc1ccc(-c2nc(CN3CCCC(C(=O)NCCc4ccc(OC)c(OC)c4)C3)c(C)o2)cc1,0,0.0,
+CCc1ccc(-c2nc(CN3CCCC(C(=O)O)C3)c(C)o2)cc1,0,0.0,
+CCc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3cccnc3)c(C)o2)cc1,0,0.0,
+CCc1ccc(-c2nc(CSCC(=O)N3CCN(c4ccccn4)CC3)c(C)o2)cc1,0,0.0,
+CCc1ccc(-c2nc(CSCC(=O)N3CCN(c4ncccn4)CC3)c(C)o2)cc1,0,0.0,
+CCc1ccc(-c2nc(CSCC(=O)NCCCN3CCCC3=O)c(C)o2)cc1,0,0.0,
+CCc1ccc(-c2nn[nH]n2)cc1,0,0.0,
+CCc1ccc(-c2nnn(CCC(=O)OC)n2)cc1,0,0.0,
+CCc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,0,0.0,
+CCc1ccc(-c2nnn(Cc3nn[nH]n3)n2)cc1,0,0.0,
+CCc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1,0,0.0,
+CCc1ccc(-n2c(SCC(=O)Nc3cc(C)[nH]n3)nc3[nH]ncc3c2=O)cc1,0,0.0,
+CCc1ccc(C(=O)CC2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1,0,0.0,
+CCc1ccc(C(=O)COC(=O)CNC(=O)c2ccco2)cc1,0,0.0,
+CCc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)C(C(C)=O)=C(C)N2)cc1,0,0.0,
+CCc1ccc(C(=O)CSc2n[nH]c(C)n2)cc1,0,0.0,
+CCc1ccc(C(=O)CSc2ncn[nH]2)cc1,0,0.0,
+CCc1ccc(C(=O)N2CCCC2)s1,0,0.0,
+CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)s1,1,100.0,1.0
+CCc1ccc(C(=O)NC2CCCCC2)s1,0,0.0,
+CCc1ccc(C(=O)NCc2cccs2)s1,0,0.0,
+CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)o1,0,0.0,
+CCc1ccc(C(=O)Nc2nnn(CC)n2)cc1,0,0.0,
+CCc1ccc(C(C)NC(=O)c2cc(C)oc2C)cc1,0,0.0,
+CCc1ccc(C2=Nn3c(nnc3-c3cccs3)SC2)cc1,0,0.0,
+CCc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1,0,0.0,
+CCc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)s1,0,0.0,
+CCc1ccc(C2C(C(C)=O)=C(C(=O)OC)Nc3nnnn32)cc1,0,0.0,
+CCc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c2nc(C)nn32)cc1,0,0.0,
+CCc1ccc(C2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1,0,0.0,
+CCc1ccc(C2CC(=O)NC(SCC(=O)OC(C)C)=C2C#N)cc1,0,0.0,
+CCc1ccc(C2CC(c3ccc(C)cc3)Nc3nc(N)nn32)cc1,0,0.0,
+CCc1ccc(C2CC(c3ccc(C)cc3)n3nc(N)nc3N2)cc1,0,0.0,
+CCc1ccc(C2CC(c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1,0,0.0,
+CCc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1,0,0.0,
+CCc1ccc(C2CC(c3cccc(Cl)c3)n3nc(N)nc3N2)cc1,0,0.0,
+CCc1ccc(C2CC(c3cccc(OC)c3)n3nc(N)nc3N2)cc1,0,0.0,
+CCc1ccc(C2CC(c3ccccc3)Nc3nc(N)nn32)cc1,0,0.0,
+CCc1ccc(C2CC(c3ccccc3)n3ncnc3N2)cc1,0,0.0,
+CCc1ccc(C2CC(c3ccccc3C)n3nc(N)nc3N2)cc1,0,0.0,
+CCc1ccc(C2CC(c3ccccc3Cl)Nc3nc(N)nn32)cc1,0,0.0,
+CCc1ccc(C2N(c3ccc(OC)cc3)C(=O)C3CCCN32)cc1,0,0.0,
+CCc1ccc(C=NC23CN4CN(CN(C4)C2)C3)s1,0,0.0,
+CCc1ccc(CC)c(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c1,0,0.0,
+CCc1ccc(CC)c(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1,0,0.0,
+CCc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)o1,0,0.0,
+CCc1ccc(CCC(=O)Nc2ccc(C)cc2C)o1,0,0.0,
+CCc1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)o1,0,0.0,
+CCc1ccc(CCC(=O)Nc2nc(CC(C)=O)ns2)o1,0,0.0,
+CCc1ccc(CCC(=O)Nc2nccs2)o1,0,0.0,
+CCc1ccc(CCC(=O)Nc2nnc(C)s2)o1,0,0.0,
+CCc1ccc(CCC(=O)Nc2nnc(CC)s2)o1,0,0.0,
+CCc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1,0,0.0,
+CCc1ccc(CN(C)CCc2ccccn2)cc1,1,100.0,1.0
+CCc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCC2)cc1,0,0.0,
+CCc1ccc(CNC(=O)CN2C(=O)COc3ccccc32)cc1,0,0.0,
+CCc1ccc(CNCc2cccnc2)cc1,0,0.0,
+CCc1ccc(CNc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1,0,0.0,
+CCc1ccc(CNc2ccc(O)cc2)cc1,0,0.0,
+CCc1ccc(CNc2ccc3c(c2)ncn3C)cc1,1,100.0,0.0
+CCc1ccc(Cn2nnc(C(=O)NCc3ccccc3OC)c2N)cc1,0,0.0,
+CCc1ccc(Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1,0,0.0,
+CCc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3)c2N)cc1,0,0.0,
+CCc1ccc(N(C(C)=O)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+CCc1ccc(N(CC(=O)NC)S(C)(=O)=O)cc1,0,0.0,
+CCc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCc1ccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)cc1,0,0.0,
+CCc1ccc(N(CC(=O)O)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCc1ccc(N(CC)c2ncnc3nc[nH]c23)cc1,0,0.0,
+CCc1ccc(N/C(SC)=C(/C#N)C(N)=O)cc1,0,0.0,
+CCc1ccc(N/C(SCc2cccc(F)c2)=C(/C#N)C(=O)NCc2ccco2)cc1,0,0.0,
+CCc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccco4)C3C2=O)cc1,0,0.0,
+CCc1ccc(N2C(=O)c3sc4nnc(C)c(=O)n4c3C2=O)cc1,0,0.0,
+CCc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1,0,0.0,
+CCc1ccc(N2CC(C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1,0,0.0,
+CCc1ccc(N2CC(C(=O)Nc3cc(C)ccc3F)CC2=O)cc1,0,0.0,
+CCc1ccc(N2CC(C(=O)Nc3ccccc3F)CC2=O)cc1,0,0.0,
+CCc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1,0,0.0,
+CCc1ccc(N2CC(C(=O)OCC(=O)NC3CCS(=O)(=O)C3)CC2=O)cc1,0,0.0,
+CCc1ccc(N2CC(C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1,0,0.0,
+CCc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,0,0.0,
+CCc1ccc(N2CC34C=CC(O3)C(C(=O)OC(C)C)C4C2=O)cc1,0,0.0,
+CCc1ccc(N2CC34C=CC(O3)C(C(=O)OC)C4C2=O)cc1,0,0.0,
+CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,0,0.0,
+CCc1ccc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1,0,0.0,
+CCc1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,0,0.0,
+CCc1ccc(NC(=O)C(C)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1,0,0.0,
+CCc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,0,0.0,
+CCc1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1,0,0.0,
+CCc1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,0,0.0,
+CCc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1,0,0.0,
+CCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+CCc1ccc(NC(=O)CC2NCCNC2=O)cc1,0,0.0,
+CCc1ccc(NC(=O)CCN2C(=O)c3cccnc3C2=O)cc1,0,0.0,
+CCc1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1,0,0.0,
+CCc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1,0,0.0,
+CCc1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCc1ccc(NC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+CCc1ccc(NC(=O)C[S+]([O-])CC(=O)NC(C)CCc2ccco2)cc1,0,0.0,
+CCc1ccc(NC(=O)C[S+]([O-])CC(=O)NCC2OCCc3ccccc32)cc1,0,0.0,
+CCc1ccc(NC(=O)C[S+]([O-])CC(=O)Nc2ccc(F)cc2F)cc1,0,0.0,
+CCc1ccc(NC(=O)CSC2=C(C#N)C(c3ccc4c(c3)OCO4)CC(=O)N2)cc1,0,0.0,
+CCc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1,0,0.0,
+CCc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1,0,0.0,
+CCc1ccc(NC(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2Cc2ccco2)cc1,0,0.0,
+CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1,0,0.0,
+CCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1,0,0.0,
+CCc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1,0,0.0,
+CCc1ccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1,0,0.0,
+CCc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1,0,0.0,
+CCc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(OC)cc2)cc1,0,0.0,
+CCc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,0,0.0,
+CCc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1,0,0.0,
+CCc1ccc(NC(=O)Cn2c(SC)nc3ccccc32)cc1,0,0.0,
+CCc1ccc(NC(=O)N(C2CCC(C)CC2)C2CCN(C(C)=O)CC2)cc1,0,0.0,
+CCc1ccc(NC(=O)N(CCCN2CCOCC2)C(C)c2cc3cccc(OC)c3o2)cc1,0,0.0,
+CCc1ccc(NC(=O)N(CCCOC(C)C)C2CCN(C(C)=O)CC2)cc1,0,0.0,
+CCc1ccc(NC(=O)N(CCN2CCOCC2)C2CCN(C(C)=O)CC2)cc1,0,0.0,
+CCc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1,0,0.0,
+CCc1ccc(NC(=O)Nc2cccs2)cc1,1,100.0,0.0
+CCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)cc1,0,0.0,
+CCc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1,0,0.0,
+CCc1ccc(NC(=O)c2cc(C(C)C)on2)cc1,0,0.0,
+CCc1ccc(NC(=O)c2cc(C)on2)cc1,0,0.0,
+CCc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1,0,0.0,
+CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1,0,0.0,
+CCc1ccc(NC(=O)c2cccnc2)cc1,0,0.0,
+CCc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1,0,0.0,
+CCc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1,0,0.0,
+CCc1ccc(NC(=O)c2noc3c2CCCCC3)cc1,0,0.0,
+CCc1ccc(NC2=CC(=O)CC(c3ccco3)C2)cc1,0,0.0,
+CCc1ccc(NC2=NC(C(=O)NC3CCCCC3)CC(=O)N2)cc1,0,0.0,
+CCc1ccc(NC2=NC(C(=O)c3ccccc3)CC(=O)N2)cc1,0,0.0,
+CCc1ccc(NC2CC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1,0,0.0,
+CCc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1,0,0.0,
+CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCCC4)c(=O)c3c2)cc1,0,0.0,
+CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCC4CCCO4)c(=O)c3c2)cc1,0,0.0,
+CCc1ccc(NS(=O)(=O)c2cccs2)cc1,0,0.0,
+CCc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)cc1,0,0.0,
+CCc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0,0.0,
+CCc1ccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1,0,0.0,
+CCc1ccc(Nc2oc(C)cc(=O)c2C(C)=O)cc1,0,0.0,
+CCc1ccc(O)c(N=Cc2cccc(C)c2O)c1,0,0.0,
+CCc1ccc(O)c(N=Cc2ccccc2O)c1,0,0.0,
+CCc1ccc(OC(=O)c2ccn(CC)n2)cc1,0,0.0,
+CCc1ccc(OC)c(S(=O)(=O)NCCOc2ccccc2)c1,0,0.0,
+CCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C)c1,0,0.0,
+CCc1ccc(OCC(=O)N(C)C)c(Br)c1,0,0.0,
+CCc1ccc(OCC(=O)N(C)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CCc1ccc(OCC(=O)NCCN(C)C)c(Br)c1,0,0.0,
+CCc1ccc(OCC(=O)NCc2ccco2)c(Br)c1,0,0.0,
+CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1,0,0.0,
+CCc1ccc(OCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1,0,0.0,
+CCc1ccc(OCC(=O)OC2CCS(=O)(=O)C2)cc1,0,0.0,
+CCc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1,0,0.0,
+CCc1ccc(OCCCC(=O)O)c(Br)c1,0,0.0,
+CCc1ccc(OCCCN=C(C)c2c(O)n(C)c(=O)n(C)c2=O)cc1,0,0.0,
+CCc1ccc(OCc2ccc(C(=O)NCc3ccccn3)o2)cc1,0,0.0,
+CCc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1,0,0.0,
+CCc1ccc(OCc2nnc(SCC(=O)NCc3ccco3)o2)cc1,0,0.0,
+CCc1ccc(OCc2nnc(SCCN3CCOCC3)n2C)cc1,0,0.0,
+CCc1ccc(OCc2nnc(SCCN3CCOCC3)n2CC)cc1,1,100.0,1.0
+CCc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccccc2)cc1,0,0.0,
+CCc1ccc(S(=O)(=O)NCCc2cn3ccccc3n2)s1,0,0.0,
+CCc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)s1,0,0.0,
+CCc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)s1,0,0.0,
+CCc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)s1,0,0.0,
+CCc1ccc(S(=O)(=O)NCc2cn3cccc(C)c3n2)s1,0,0.0,
+CCc1ccc(S(=O)(=O)NCc2cn3ccccc3n2)s1,0,0.0,
+CCc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)s1,0,0.0,
+CCc1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)s1,0,0.0,
+CCc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)s1,0,0.0,
+CCc1ccc(S(=O)(=O)NCc2csc(C)n2)s1,0,0.0,
+CCc1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1,0,0.0,
+CCc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCCc4ccccc43)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCN4CCCC4C3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(C(c3nnnn3CCOC)N3CCN(c4ccc(F)cc4)CC3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(C(c3nnnn3CCOC)N3CCN(c4ccccc4)CC3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccc(OC)cc3)N3CCOCC3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccc(F)cc3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3OC)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(CCN(CC)CC)C(=O)NC3CCCCC3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(CCN(CC)CC)C(=O)Nc3ccccc3OC)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)NC3CCCCC3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(CCO)C(=O)NCc3ccccc3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)Cc3nnnn3CCOC)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1,0,0.0,
+CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1,0,0.0,
+CCc1ccc2[nH]cc(C(=O)N3CCCCCC3)c(=O)c2c1,0,0.0,
+CCc1ccc2[nH]cc(C(=O)OCCOC)c(=O)c2c1,0,0.0,
+CCc1ccc2c(CN(CC)Cc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1,0,0.0,
+CCc1ccc2c(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc(=O)oc2c1,0,0.0,
+CCc1ccc2c(CN3CCc4ccccc43)cc(=O)oc2c1,0,0.0,
+CCc1ccc2c(COC(=O)c3n[nH]c4ccccc34)cc(=O)oc2c1,0,0.0,
+CCc1ccc2c(COn3nnc4ccc(S(=O)(=O)N(C)C)cc43)cc(=O)oc2c1,0,0.0,
+CCc1ccc2c(c1)C(C)=CC(C)(C)N2,0,0.0,
+CCc1ccc2c(c1)C(NC(C)=O)C(=O)N2CC,0,0.0,
+CCc1ccc2c(c1)CCCN2C(=O)c1ccccc1C(=O)O,0,0.0,
+CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21,0,0.0,
+CCc1ccc2c(c1)c1nc(C)sc1n2CC,0,0.0,
+CCc1ccc2nc(N3CCN(C)CC3)c(C#N)cc2c1,0,0.0,
+CCc1ccc2nc(NC(=O)CSCc3c(C)noc3C)sc2c1,0,0.0,
+CCc1ccc2nc(NC(=O)c3cc(C)on3)sc2c1,0,0.0,
+CCc1ccc2nc(NC(=O)c3ccc4c(=O)[nH]c(CN5CCOCC5)nc4c3)sc2c1,0,0.0,
+CCc1ccc2nc(NC3=NCN(CCCN4CCOCC4)CN3)nc(C)c2c1,1,100.0,1.0
+CCc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1,1,100.0,
+CCc1ccc2nc(NC3=NCN(CCOC)CN3)nc(C)c2c1,0,0.0,
+CCc1ccc2nc(SCC(=O)N(CC)CC)c(C#N)cc2c1,0,0.0,
+CCc1ccc2nc3c(c(C(=O)O)c2c1)CCC3,0,0.0,
+CCc1ccc2oc(-c3cc(N)cc(C)c3O)nc2c1,0,0.0,
+CCc1ccc2oc(-c3cc(N)ccc3Cl)nc2c1,0,0.0,
+CCc1ccc2oc(-c3cc(N)ccc3O)nc2c1,0,0.0,
+CCc1ccc2oc(-c3cc(N=Cc4cccc(OC)c4O)ccc3O)nc2c1,0,0.0,
+CCc1ccc2oc(-c3ccc(N)cc3)nc2c1,0,0.0,
+CCc1ccc2oc(-c3cccc(NC(=O)c4cccnc4)c3)nc2c1,0,0.0,
+CCc1ccc2oc(=O)cc(CN(C)Cc3ccccc3)c2c1,0,0.0,
+CCc1ccc2oc(=O)cc(CN3CCC(C)CC3)c2c1,0,0.0,
+CCc1ccc2oc(=O)cc(CN3CCCCC3C)c2c1,0,0.0,
+CCc1ccc2oc(=O)cc(CN3CCN(CCO)CC3)c2c1,0,0.0,
+CCc1ccc2oc(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1,0,0.0,
+CCc1ccc2oc(=O)cc(CN3CCOCC3)c2c1,0,0.0,
+CCc1ccc[n+](OC(=O)N(C)C)c1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0,0.0,
+CCc1cccc(C)c1N(C(=O)Cn1c(=O)[nH]c2ccccc21)C(C)COC,0,0.0,
+CCc1cccc(C)c1NC(=O)C1=C(C(=O)O)CCCC1,0,0.0,
+CCc1cccc(C)c1NC(=O)C1C2CCC(O2)C1C(=O)O,0,0.0,
+CCc1cccc(C)c1NC(=O)C1CCCO1,0,0.0,
+CCc1cccc(C)c1NC(=O)CCCC(=O)O,0,0.0,
+CCc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,0,0.0,
+CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2n1CC(=O)N(C)C,0,0.0,
+CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3cc(Br)ccc3o2)n1CC,1,100.0,0.0
+CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1N,0,0.0,
+CCc1cccc(C)c1NC(=O)c1cc(C)oc1C,0,0.0,
+CCc1cccc(C)c1NC(=O)c1cccc(N(C)C)c1,0,0.0,
+CCc1cccc(C)c1NC(=O)c1ccoc1C,0,0.0,
+CCc1cccc(CC)c1N(COC)C(=O)Cn1c(C(C)O)nc2ccccc21,0,0.0,
+CCc1cccc(CC)c1N(COC)C(=O)Cn1c(CO)nc2ccccc21,0,0.0,
+CCc1cccc(CC)c1N(COC)C(=O)Cn1ccccc1=N,0,0.0,
+CCc1cccc(CC)c1N(COC)C(=O)Cn1nnc2ccccc21,0,0.0,
+CCc1cccc(CC)c1NC(=O)CN1CCN(c2ccccc2)CC1,0,0.0,
+CCc1cccc(CC)c1NC(=O)CSc1nnc(C(C)C)n1CC,0,0.0,
+CCc1cccc(NC(=O)C2CCCC2)c1,0,0.0,
+CCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)c1,0,0.0,
+CCc1cccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c1,0,0.0,
+CCc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1,0,0.0,
+CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,0,0.0,
+CCc1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)n[nH]c2C)c1,0,0.0,
+CCc1cccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1,0,0.0,
+CCc1cccc(NC(=O)C[S+]([O-])Cc2nc(-c3ccc(C)cc3)oc2C)c1,0,0.0,
+CCc1cccc(NC(=O)Cn2cc3c(n2)CCCC3)c1,0,0.0,
+CCc1cccc(NC(=O)Cn2cccc2)c1,0,0.0,
+CCc1cccc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c1,0,0.0,
+CCc1cccc(NC(=O)NC2CCCCC2)c1,0,0.0,
+CCc1cccc(NC(=O)Nc2cccs2)c1,0,0.0,
+CCc1cccc(NC(=O)c2ccc(Br)o2)c1,0,0.0,
+CCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1,0,0.0,
+CCc1cccc(NC(=O)c2snc3c(=O)[nH]cnc23)c1,0,0.0,
+CCc1cccc(NC2c3ccccc3C(=O)N2c2ccc(C)cn2)c1,0,0.0,
+CCc1cccc(NC2c3ccccc3C(=O)N2c2cccnc2)c1,0,0.0,
+CCc1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1,0,0.0,
+CCc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1,0,0.0,
+CCc1cccc(Nc2cc(C)nc3nc(C)nn23)c1,0,0.0,
+CCc1cccc(Nc2cc(C)nc3ncnn23)c1,0,0.0,
+CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1,0,0.0,
+CCc1cccc(OCCCCNCCOC)c1,0,0.0,
+CCc1cccc2c(=O)c(C(=O)N3CCCCCC3)c[nH]c12,0,0.0,
+CCc1cccc2c(=O)c(C(=O)N3CCOCC3)c[nH]c12,0,0.0,
+CCc1cccc2c(=O)c(C(=O)NCCN3CCOCC3)c[nH]c12,0,0.0,
+CCc1cccc2c(C#N)cn(CC(=O)N3CCOCC3)c12,0,0.0,
+CCc1cccc2c(C#N)cn(CC(=O)NCCOC)c12,0,0.0,
+CCc1cccc2c(C#N)cn(CC(=O)NCc3ccco3)c12,0,0.0,
+CCc1cccc2c(C#N)cn(CCOc3ccccc3OC)c12,0,0.0,
+CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21,0,0.0,
+CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,0,0.0,
+CCc1ccccc1-n1c(-c2ccncc2)n[nH]c1=S,0,0.0,
+CCc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccccn1,0,0.0,
+CCc1ccccc1-n1c(SCC(=O)NC)nnc1-c1cccnc1,0,0.0,
+CCc1ccccc1-n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2[nH]ncc2c1=O,0,0.0,
+CCc1ccccc1-n1cnc2cc(C(=O)O)ccc21,0,0.0,
+CCc1ccccc1N(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC1CCCC1)c1ccco1,0,0.0,
+CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccco1,0,0.0,
+CCc1ccccc1N(C(=O)c1cccs1)C1C=CS(=O)(=O)C1,0,0.0,
+CCc1ccccc1N(C)C(=O)CCc1nc(-c2ccc(C)cc2)no1,0,0.0,
+CCc1ccccc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O,0,0.0,
+CCc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O,0,0.0,
+CCc1ccccc1N(CC(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O,0,0.0,
+CCc1ccccc1N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O,0,0.0,
+CCc1ccccc1N(CC(=O)NCc1ccco1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+CCc1ccccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O,0,0.0,
+CCc1ccccc1N(CC(=O)O)S(C)(=O)=O,0,0.0,
+CCc1ccccc1N(CC(=O)OC)S(C)(=O)=O,0,0.0,
+CCc1ccccc1N(CC)C(=O)CCc1nc(-c2ccc(C)cc2)no1,0,0.0,
+CCc1ccccc1N1C(=O)C2CC(C)=C(C)CC2C1=O,0,0.0,
+CCc1ccccc1N1C(=O)C2CC=CCC2C1=O,0,0.0,
+CCc1ccccc1N1CC(C(=O)O)CC1=O,0,0.0,
+CCc1ccccc1N1CC23C=CC(O2)C(C(=O)O)C3C1=O,0,0.0,
+CCc1ccccc1N1CC23C=CC(O2)C(C(=O)OC)C3C1=O,0,0.0,
+CCc1ccccc1N1CC23C=CC(O2)C(C(=O)OCC(C)C)C3C1=O,0,0.0,
+CCc1ccccc1N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1,0,0.0,
+CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1,0,0.0,
+CCc1ccccc1N1CSC2=C(C#N)C(c3cc(OC)c(OC)cc3OC)CC(=O)N2C1,0,0.0,
+CCc1ccccc1N1CSC2=C(C#N)C(c3ccccc3F)CC(=O)N2C1,0,0.0,
+CCc1ccccc1N1C[C@@]23C=C[C@@H](O2)C(C(=O)OCC(C)C)[C@H]3C1=O,0,0.0,
+CCc1ccccc1N=C1SCC(=O)N1C,0,0.0,
+CCc1ccccc1NC(=O)C(C#N)Cc1cccnc1,0,0.0,
+CCc1ccccc1NC(=O)C(CC)Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3,0,0.0,
+CCc1ccccc1NC(=O)C(Cc1cccc(OC)c1OC)c1nn[nH]n1,0,0.0,
+CCc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1,0,0.0,
+CCc1ccccc1NC(=O)CC(O)(C(=O)OC)C(F)(F)F,0,0.0,
+CCc1ccccc1NC(=O)CC1S/C(=N\c2nccs2)N(CC)C1=O,0,0.0,
+CCc1ccccc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1,0,0.0,
+CCc1ccccc1NC(=O)CN(C)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O,0,0.0,
+CCc1ccccc1NC(=O)CN(C)Cc1nc(N)nc(Nc2ccccc2C)n1,0,0.0,
+CCc1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O,0,0.0,
+CCc1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc21,0,0.0,
+CCc1ccccc1NC(=O)CN1CCC(NC(=O)COC)CC1,0,0.0,
+CCc1ccccc1NC(=O)COC(=O)C1CC(=O)N(c2ccc(F)cc2)C1,0,0.0,
+CCc1ccccc1NC(=O)CSC1=C(C#N)C(c2ccc(O)c(OC)c2)C2=C(CCCC2=O)N1,0,0.0,
+CCc1ccccc1NC(=O)CSC1=C(C#N)C(c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1,0,0.0,
+CCc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2,0,0.0,
+CCc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N(C)C,0,0.0,
+CCc1ccccc1NC(=O)CSc1nc2n[nH]c(C)c2c(=N)n1-c1ccc(OC)cc1,0,0.0,
+CCc1ccccc1NC(=O)CSc1ncn[nH]1,0,0.0,
+CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N,0,0.0,
+CCc1ccccc1NC(=O)CSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1,0,0.0,
+CCc1ccccc1NC(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1,0,0.0,
+CCc1ccccc1NC(=O)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1,0,0.0,
+CCc1ccccc1NC(=O)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)CC)o1,0,0.0,
+CCc1ccccc1NC(=O)CSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1,0,0.0,
+CCc1ccccc1NC(=O)CSc1nnc([C@H](CCSC)NC(=O)OC(C)(C)C)o1,0,0.0,
+CCc1ccccc1NC(=O)Cn1nnc(-c2cccnc2)n1,0,0.0,
+CCc1ccccc1NC(=O)Cn1nnc(-c2cccs2)n1,0,0.0,
+CCc1ccccc1NC(=O)N1C2CCCC1CC(NC(=O)C(C)(C)C)C2,0,0.0,
+CCc1ccccc1NC(=O)N1C2CCCC1CC(NC(C)=O)C2,0,0.0,
+CCc1ccccc1NC(=O)N[C@@H](C)C(=O)O,0,0.0,
+CCc1ccccc1NC(=O)N[C@@H](C)C(=O)OC,0,0.0,
+CCc1ccccc1NC(=O)c1cc(-c2cccc(O)c2)on1,0,0.0,
+CCc1ccccc1NC(=O)c1cc(C2CC2)on1,0,0.0,
+CCc1ccccc1NC(=O)c1cc2sccc2n1C,0,0.0,
+CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1,0,0.0,
+CCc1ccccc1NC(=O)c1cccs1,0,0.0,
+CCc1ccccc1NC(=O)c1ccoc1C,0,0.0,
+CCc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+CCc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O,0,0.0,
+CCc1ccccc1NC(=O)c1cnccn1,0,0.0,
+CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(C)c2)c1N,0,0.0,
+CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(C)c2C)c1N,0,0.0,
+CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2C)c1N,0,0.0,
+CCc1ccccc1NC(=O)c1onc(C)c1Cl,0,0.0,
+CCc1ccccc1NC1=NCC(=O)N1C1CCCCC1,0,0.0,
+CCc1ccccc1NC1=NCC(=O)N1Cc1ccc(OC)cc1,0,0.0,
+CCc1ccccc1NC1=NCC(=O)N1Cc1ccccc1,0,0.0,
+CCc1ccccc1NC1c2ccccc2C(=O)N1Cc1ccco1,1,100.0,0.0
+CCc1ccccc1NC1c2ccccc2C(=O)N1c1cc(C)ccn1,0,0.0,
+CCc1ccccc1NC1c2ccccc2C(=O)N1c1cccnc1,0,0.0,
+CCc1ccccc1NS(=O)(=O)c1cc(C)ccc1OC,0,0.0,
+CCc1ccccc1NS(=O)(=O)c1ccc(SC)cc1,0,0.0,
+CCc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NCC3CCCO3)c(=O)c2c1,0,0.0,
+CCc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccco3)c(=O)c2c1,0,0.0,
+CCc1ccccc1Nc1ccc(C(=O)O)cc1N,0,0.0,
+CCc1ccccc1Nc1nc(=O)[nH]nc1C,0,0.0,
+CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cccn2C)n1,0,0.0,
+CCc1ccccc1Nc1nc(N)nc(CSCC(=O)c2cc(C)n(C)c2C)n1,0,0.0,
+CCc1ccccc1OCC(=O)NC1CCCC1,0,0.0,
+CCc1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CCc1ccccc1OCCCCCNCCO,0,0.0,
+CCc1ccccc1OCCCCN1CCCC1,1,100.0,0.0
+CCc1ccccc1OCc1nnc(N)s1,0,0.0,
+CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)o1,0,0.0,
+CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)o1,0,0.0,
+CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NC(C)C)o1,0,0.0,
+CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCC2CCCO2)o1,0,0.0,
+CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1,0,0.0,
+CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O,0,0.0,
+CCc1n[nH]c(=O)c2cc3occc3n12,0,0.0,
+CCc1n[nH]c(=O)n1Cn1c(CC)n[nH]c1=O,0,0.0,
+CCc1n[nH]c2c1/C(=N/O)CCC2,0,0.0,
+CCc1n[nH]c2c1/C(=N\O)CC(C)(C)C2,0,0.0,
+CCc1n[nH]c2c1/C(=N\O)CC(c1ccccc1)C2,0,0.0,
+CCc1n[nH]c2c1C(=O)CC(C)(C)C2,0,0.0,
+CCc1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1,0,0.0,
+CCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1,0,0.0,
+CCc1nc(-c2ccccc2O)n(-c2ccccc2)n1,0,0.0,
+CCc1nc(C)c(-c2ccccc2)c(=O)[nH]1,0,0.0,
+CCc1nc(C)c(C#N)c2cc(OC)c(OC)cc12,0,0.0,
+CCc1nc(C)cc(N)c1OCc1ccccc1,0,0.0,
+CCc1nc(C)ccc1OCC(=O)NCCCN(C)C,0,0.0,
+CCc1nc(C)ccc1OCC(=O)O,0,0.0,
+CCc1nc(C)cn1S(=O)(=O)c1cc(Br)c(C)cc1OC,0,0.0,
+CCc1nc(C)cn1S(=O)(=O)c1cc(Br)ccc1OC,0,0.0,
+CCc1nc(C)cn1S(=O)(=O)c1cc(C)c(OC)cc1C,0,0.0,
+CCc1nc(C)cn1S(=O)(=O)c1cc(OC)c(C)cc1C,0,0.0,
+CCc1nc(C)cn1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl,0,0.0,
+CCc1nc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)no1,0,0.0,
+CCc1nc(N(CC)CC)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(N)c(C#N)c(-c2ccc(O)c(OC)c2)c1C,0,0.0,
+CCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2)c1C,0,0.0,
+CCc1nc(N)c(C#N)c(-c2ccccc2OC)c1C,0,0.0,
+CCc1nc(N)c(C#N)c(-c2cccn2C)c1C,0,0.0,
+CCc1nc(N)c(C#N)c(-c2cccnc2)c1C,0,0.0,
+CCc1nc(N)c(C#N)c(-c2ccco2)c1C,0,0.0,
+CCc1nc(N)c(C#N)c(-c2ccncc2)c1C,0,0.0,
+CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,0,0.0,
+CCc1nc(N)nc2c1C(=O)CC(C)(C)C2,0,0.0,
+CCc1nc(N2CCC(C)CC2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(N2CCCC(C)C2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(N2CCCC2)c(C#N)c2c1CCCC2,0,0.0,
+CCc1nc(N2CCCC2C(=O)O)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(N2CCCCC2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(N2CCCCC2C)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CCc1nc(N2CCN(C(=O)c3ccco3)CC2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(N2CCN(c3nc(C)cc(C)n3)CC2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(N2CCNCC2)c(C#N)c2c1CSC(C)(C)C2,1,100.0,1.0
+CCc1nc(N2CCOCC2)c(C#N)c2c1CCCC2,0,0.0,
+CCc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CCc1nc(NC(C)C)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CCc1nc(NCC(C)C)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CCc1nc(NCC2CCCN2CC)c2nnn(Cc3ccccc3F)c2n1,0,0.0,
+CCc1nc(NCC2CCCO2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CCc1nc(NCC2CCCO2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(NCCCN2CCOCC2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(NCCCn2ccnc2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(NCCN2CCOCC2)c(C#N)c2c1CCCC2,0,0.0,
+CCc1nc(NCCN2CCOCC2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(NCCc2ccccn2)c2nnn(Cc3ccccc3F)c2n1,0,0.0,
+CCc1nc(NCc2ccccn2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(NCc2ccco2)c2oc3ccccc3c2n1,1,100.0,0.0
+CCc1nc(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(Nc2ccc3nccnc3c2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(Nc2ccncc2)c2oc3ccccc3c2n1,1,100.0,1.0
+CCc1nc(OCCN(C)C)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(OCCN(CC)CC)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(OCc2ccco2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4,0,0.0,
+CCc1nc(SC)[nH]c(=O)c1C,0,0.0,
+CCc1nc(SCC(=O)N2CCC(C)CC2)c2c(=O)n(C)c(=O)n(C)c2n1,1,100.0,
+CCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1,0,0.0,
+CCc1nc(SCC(=O)N2CCCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCc1nc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCCC3,0,0.0,
+CCc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCc1nc(SCC(=O)N2CCOCC2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCc1nc(SCC(=O)N2CCc3ccccc32)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(SCC(=O)NCC2CCCO2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(SCC(=O)NCCc2ccc(OC)c(OC)c2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCc1nc(SCC(=O)NCCc2ccccc2)n[nH]1,0,0.0,
+CCc1nc(SCC(=O)NCc2ccco2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)CCCC3,0,0.0,
+CCc1nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n[nH]1,0,0.0,
+CCc1nc(SCC(=O)Nc2cc(C)on2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1,0,0.0,
+CCc1nc(SCC(=O)Nc2cc(C)on2)n[nH]1,0,0.0,
+CCc1nc(SCC(=O)Nc2ccc(C(=O)O)cc2)n[nH]1,0,0.0,
+CCc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCc1nc(SCC(=O)Nc2ccccc2C(=O)OC)n[nH]1,0,0.0,
+CCc1nc(SCC(=O)Nc2ccnc3ccccc23)n[nH]1,0,0.0,
+CCc1nc(SCC(=O)Nc2nccs2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(SCC(=O)c2cc(C)ccc2C)n[nH]1,0,0.0,
+CCc1nc(SCC(=O)c2ccc(C)c(C)c2)n[nH]1,0,0.0,
+CCc1nc(SCC(N)=O)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCc1nc(SCCO)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc(SCc2cc(Cl)ccc2OC)n[nH]1,0,0.0,
+CCc1nc(SCc2ccc(C(=O)OC)o2)c2c(=O)n(C)c(=O)n(C)c2n1,1,100.0,1.0
+CCc1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCc1nc(SCc2cccnc2)c(C#N)cc1C,0,0.0,
+CCc1nc(SCc2cccnc2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+CCc1nc(Sc2nc(C)cc(C)n2)c2oc3ccccc3c2n1,0,0.0,
+CCc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2,0,0.0,
+CCc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc(OC)cc1,0,0.0,
+CCc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc2c(c1)OCCO2,0,0.0,
+CCc1nc2c(n1)c1c(non1O)c1c2no[n+]1[O-],0,0.0,
+CCc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(=O)o1,0,0.0,
+CCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1Cc1ccco1,0,0.0,
+CCc1nc2c3cnn(-c4cc(Cl)ccc4C)c3ncn2n1,0,0.0,
+CCc1nc2cc(C)nn2c2nc3ccccc3n12,0,0.0,
+CCc1nc2cc(Cl)c(Cl)cc2[nH]1,0,0.0,
+CCc1nc2ccc(C(=O)NCc3ccco3)cc2nc1CC,0,0.0,
+CCc1nc2ccccc2c(=O)n1-c1cccc(OC)c1,0,0.0,
+CCc1nc2ccccc2c(=O)n1CCCCn1c(CC)nc2ccccc2c1=O,0,0.0,
+CCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+CCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2[nH]c1=O,0,0.0,
+CCc1nc2ccccc2c(C(=O)OC2CCOC2=O)c1C,0,0.0,
+CCc1nc2ccccc2c(C(=O)OCC(=O)NCCCN2CCCC2=O)c1C,0,0.0,
+CCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccco2)c1C,0,0.0,
+CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C,0,0.0,
+CCc1nc2ccccc2c(NC(=O)CN2CCC(C)CC2)c1C,0,0.0,
+CCc1nc2ccccc2n(CC)c1=O,0,0.0,
+CCc1nc2ccccc2n(CCOCCOCCn2c(=O)c(CC)nc3ccccc32)c1=O,0,0.0,
+CCc1nc2ccccc2n(CCOCCn2c(=O)c(CC)nc3ccccc32)c1=O,0,0.0,
+CCc1nc2ccccc2n1CC(=O)N(C(C)CC)C1CCS(=O)(=O)C1,0,0.0,
+CCc1nc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+CCc1nc2ccccc2n1Cc1cc(=O)n2cc(C)ccc2n1,0,0.0,
+CCc1nc2ccccc2n1Cc1ccc(OC)c(OC)c1,0,0.0,
+CCc1nc2ccccc2n1Cc1ccccc1OC,0,0.0,
+CCc1nc2n[nH]c(N)c2c2c1CCCC2,0,0.0,
+CCc1nc2n[nH]c(N)c2c2c1CSC(C)(C)C2,0,0.0,
+CCc1nc2nc(C)cc(Nc3cccc(C(F)(F)F)c3)n2n1,0,0.0,
+CCc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2,0,0.0,
+CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1-c1ccccc1,0,0.0,
+CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1,0,0.0,
+CCc1nc2oc3ccccc3c(=O)c2c(=O)n1-c1ccccc1,0,0.0,
+CCc1nc2oc3ccccc3c(=O)c2c(=O)n1CCOC,0,0.0,
+CCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccc(OC)cc1,0,0.0,
+CCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1,0,0.0,
+CCc1nc2sc(C)c(C)c2c(=O)n1CCO,0,0.0,
+CCc1nc2sc(C)cc2c(=O)n1CCO,0,0.0,
+CCc1nc2sc3c(c2c(=O)n1N)CCC3,0,0.0,
+CCc1nc2sc3c(c2c(=O)o1)CCCC3,0,0.0,
+CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1,0,0.0,
+CCc1nc2scc(-c3ccccc3)c2c(=O)n1N,0,0.0,
+CCc1ncc(C(=O)c2ccc(OC)cc2)n1C,0,0.0,
+CCc1ncc(C(O)c2cccc(OC)c2OC)n1C,0,0.0,
+CCc1ncc(C(O)c2cccc3ccccc23)n1C,0,0.0,
+CCc1nccn1S(=O)(=O)c1cc(Br)ccc1OC,0,0.0,
+CCc1nccn1S(=O)(=O)c1ccc(Br)cc1Br,0,0.0,
+CCc1nccn1S(=O)(=O)c1ccc(C)c(C)c1,0,0.0,
+CCc1nccn1S(=O)(=O)c1ccc(OC)c(OC)c1,0,0.0,
+CCc1nccn1S(=O)(=O)c1ccc2ccc(C)cc2c1,0,0.0,
+CCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2,0,0.0,
+CCc1nn(C(C)C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc3occc3n12,0,0.0,
+CCc1nn(C(C)C(=O)N2CCc3ccccc3C2)c(=O)c2cc3occc3n12,0,0.0,
+CCc1nn(C(C)C(=O)NC(C)CCc2ccco2)c(=O)c2cc3occc3n12,0,0.0,
+CCc1nn(C(C)C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)c(=O)c2cc3occc3n12,0,0.0,
+CCc1nn(C(C)C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc3occc3n12,0,0.0,
+CCc1nn(C(C)C(=O)Nc2cccc(C)c2C)c(=O)c2cc3occc3n12,0,0.0,
+CCc1nn(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(=O)c2cc3occc3n12,0,0.0,
+CCc1nn(CC(=O)NCCCN(CC)Cc2ccccc2)c(=O)c2cc3sccc3n12,0,0.0,
+CCc1nn(CC(=O)NCCCN(Cc2ccccc2)C(C)C)c(=O)c2cc3sccc3n12,0,0.0,
+CCc1nn(CC(=O)NCCCN2CCCC2=O)c(=O)c2cc3sccc3n12,0,0.0,
+CCc1nn(CC(=O)NCCCN2CCc3ccccc3C2)c(=O)c2cc3sccc3n12,0,0.0,
+CCc1nn(CC(=O)NCCN2CCN(C)CC2)c(=O)c2cc3occc3n12,0,0.0,
+CCc1nn(CC(=O)O)c(=O)c2ccccc12,0,0.0,
+CCc1nn(CCCC(=O)N2CCc3ccccc3C2)c(=O)c2cc3occc3n12,0,0.0,
+CCc1nn2c(=O)cc(CSc3nc4sc5c(c4c(=O)n3C)CCCC5)nc2s1,0,0.0,
+CCc1nn2c(=O)cc(N3CCN(c4cc(C)nc5ccccc45)CC3)nc2s1,0,0.0,
+CCc1nn2c(N3CCOCC3)cc(C)nc2c1-c1ccc(F)cc1,0,0.0,
+CCc1nn2cc(-c3ccccc3)nc2s1,0,0.0,
+CCc1nnc(-n2nc(C)cc2-c2ccccc2)n1N,0,0.0,
+CCc1nnc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)s1,1,100.0,
+CCc1nnc(NC(=O)C(C)N2C(=O)C3C4C=CC(C4)C3C2=O)s1,0,0.0,
+CCc1nnc(NC(=O)C(C)Sc2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)s1,0,0.0,
+CCc1nnc(NC(=O)C2CC(=O)N(CCc3ccccc3)C2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCC2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCCCC2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCCN(c3nc4ccccc4s3)C2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCCN2C(=O)Nc2ccccc2OC)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCN(c3cnccn3)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)C2CCN(c3nccc(C)n3)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)C2Cc3ccccc3C(=O)O2)s1,0,0.0,
+CCc1nnc(NC(=O)C2Cc3ccccc3CN2S(=O)(=O)c2cccs2)s1,0,0.0,
+CCc1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)O)s1,0,0.0,
+CCc1nnc(NC(=O)CCC(=O)N2CCCC2)s1,0,0.0,
+CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)CCC(=O)N2CCN(CCc3ccccc3)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)CCC(=O)NC2CCCCC2)s1,0,0.0,
+CCc1nnc(NC(=O)CCC(=O)Nc2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CCC(=O)O)s1,0,0.0,
+CCc1nnc(NC(=O)CCN2C(=O)CCC2=O)s1,0,0.0,
+CCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1,0,0.0,
+CCc1nnc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)s1,0,0.0,
+CCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1,0,0.0,
+CCc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1,0,0.0,
+CCc1nnc(NC(=O)CN2CCC(O)(c3ccccc3OC)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)CN2CCN(C3CCCCC3)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)CN2CCN(c3ccccc3OC)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)CN2CCN(c3nc(-c4ccccc4)cs3)CC2)s1,0,0.0,
+CCc1nnc(NC(=O)CN2CCOCC2)s1,0,0.0,
+CCc1nnc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ns2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nc3c(c(=O)n2CC)SC(C)C3)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nc3c(cc2C#N)CCC3)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nc3ccccc3s2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2CC)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2C)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nccn2-c2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2ncnc3c2oc2ccccc23)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2CC)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2CCOC)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2CC)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2CCOC)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)o2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccc(C)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccc(C)cc2C)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2CCc2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccc(C)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2cccc(C)c2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(C)n2CC2CCCO2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C2CCCCC2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(CNc3cccc(C)c3)n2-c2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(C)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C)o2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2C)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2CC)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)o2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(OC)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2C)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCOC)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc3ncccn23)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnc3scc(-c4ccc(C)cc4)n23)s1,0,0.0,
+CCc1nnc(NC(=O)CSc2nnnn2-c2cccc(C(=O)OC)c2)s1,0,0.0,
+CCc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)Cn2ccc(C(F)(F)F)n2)s1,0,0.0,
+CCc1nnc(NC(=O)Cn2nc(-c3ccccc3OC)ccc2=O)s1,0,0.0,
+CCc1nnc(NC(=O)Cn2nnc(-c3ccccc3F)n2)s1,0,0.0,
+CCc1nnc(NC(=O)NCN2C(=O)C3C4C=CC(C4)C3C2=O)s1,0,0.0,
+CCc1nnc(NC(=O)Nc2ccc(OC)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)Nc2ccccc2OC)s1,0,0.0,
+CCc1nnc(NC(=O)OCc2ccccc2)s1,0,0.0,
+CCc1nnc(NC(=O)c2c(O)c3c([nH]c2=O)CCCC3)s1,0,0.0,
+CCc1nnc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)s1,0,0.0,
+CCc1nnc(NC(=O)c2c(OC)cccc2OC)s1,0,0.0,
+CCc1nnc(NC(=O)c2cc3c(s2)CCCCC3)s1,0,0.0,
+CCc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(COc3ccccc3)o2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1,1,100.0,0.0
+CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(OC)cc2OC)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC)Cc3ccccc3)cc2)o1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)o1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)s1,0,0.0,
+CCc1nnc(NC(=O)c2cccc(C(=O)Nc3nnc(CC)s3)n2)s1,0,0.0,
+CCc1nnc(NC(=O)c2cccc(OC)c2)s1,0,0.0,
+CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)s1,0,0.0,
+CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1,0,0.0,
+CCc1nnc(NC(=O)c2cccs2)s1,0,0.0,
+CCc1nnc(NC(=O)c2ccncc2)s1,0,0.0,
+CCc1nnc(NC(=O)c2cnccn2)s1,0,0.0,
+CCc1nnc(NC(=O)c2nc3nccc(C)n3n2)s1,0,0.0,
+CCc1nnc(NC2=NCCC2)s1,0,0.0,
+CCc1nnc(NC2=NS(=O)(=O)c3ccccc32)s1,0,0.0,
+CCc1nnc(NC=C2C(=O)OC(C)(C)OC2=O)s1,0,0.0,
+CCc1nnc(NCC(=O)N2CCc3ccccc32)s1,1,100.0,0.0
+CCc1nnc(NS(=O)(=O)c2ccc(N3C(=O)C4CC=C(Cl)CC4C3=O)cc2)s1,0,0.0,
+CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)s1,0,0.0,
+CCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1,0,0.0,
+CCc1nnc(SCC(=O)N2CCCc3ccccc32)nc1CC,1,100.0,0.0
+CCc1nnc(SCC(=O)NC2CCCCC2)nc1CC,0,0.0,
+CCc1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)nc1CC,0,0.0,
+CCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1N,0,0.0,
+CCc1nnc(SCC(=O)Nc2ccccc2)nc1CC,0,0.0,
+CCc1nnc(SCc2ccc(C(=O)OC)o2)n1N,0,0.0,
+CCc1nnc(SCc2ccc(CSc3nnc(CC)n3N)cc2)n1N,0,0.0,
+CCc1nnc(SCc2ccc(OC(C)C)cc2)n1N,0,0.0,
+CCc1nnc(SCc2ccc(OC)c(Br)c2)n1N,0,0.0,
+CCc1nnc(SCc2cn3c(C)cc(C)nc3n2)n1N,0,0.0,
+CCc1nnc2c3cnn(-c4ccc(C)c(C)c4)c3ncn12,0,0.0,
+CCc1nnc2c3cnn(-c4ccccc4)c3ncn12,0,0.0,
+CCc1nnc2n1N=C(c1ccc(-c3cc(Cl)ccc3Cl)o1)CS2,0,0.0,
+CCc1nnc2n1N=C(c1ccc(-c3ccc(Cl)cc3Cl)o1)CS2,0,0.0,
+CCc1nnc2sc(-c3cc(-c4ccccc4)nc4ccccc34)nn12,0,0.0,
+CCc1nnc2sc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)nn12,0,0.0,
+CCc1nnc2sc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)nn12,0,0.0,
+CCc1nnc2sc(-c3ccc(NC(=O)c4ccco4)cc3)nn12,0,0.0,
+CCc1noc(C)c1C(=O)N1CC(C)OC(C)C1,0,0.0,
+CCc1noc(C)c1C(=O)N1CCCC1,0,0.0,
+CCc1noc(C)c1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+CCc1noc(C)c1C(=O)N1CCOCC1,0,0.0,
+CCc1noc(C)c1C(=O)NCCc1ccc(OC)c(OC)c1,0,0.0,
+CCc1noc(C)c1C(=O)Nc1ncc(C)s1,0,0.0,
+CCc1noc(C)c1C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC,0,0.0,
+CCc1noc(N)c1C(=O)Nc1ccc(F)c(Cl)c1,0,0.0,
+CCc1noc2c1/C(=N\O)CC(c1ccccc1)C2,0,0.0,
+CCc1oc(C(=O)O)cc1CN(CC)CC,0,0.0,
+CCc1oc(C(=O)O)cc1COC,0,0.0,
+CCc1oc2ccccc2c1C(=O)CCN1CCCCC1,1,100.0,1.0
+CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,0,0.0,
+CCc1sc(C(=O)N2CCC3(CC2)OCCO3)cc1Br,0,0.0,
+CCc1sc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1Br,0,0.0,
+CCc1sc(C(=O)NC)cc1Br,0,0.0,
+CCc1sc(C(=O)NC2CCN(C)CC2)cc1Br,0,0.0,
+CCc1sc(C(=O)NCc2cc(C)n(C)n2)cc1Br,0,0.0,
+CCc1sc(C(=O)Nc2ccsc2C(=O)OC)cc1Br,0,0.0,
+CCc1sc(NC(=O)CN2CCOCC2)nc1-c1ccccc1,0,0.0,
+CCc1sc(NC(=O)COC)nc1-c1ccccc1,1,100.0,1.0
+CCc1sc(NS(C)(=O)=O)nc1-c1ccccc1,0,0.0,
+CCn1[nH]c(=O)c(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(Cl)cc1,0,0.0,
+CCn1c(-c2c[nH]c3ccccc23)n[nH]c1=S,0,0.0,
+CCn1c(-c2cc(Br)cc(OC)c2O)nc2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1c(-c2cc(Br)ccc2O)n[nH]c1=S,0,0.0,
+CCn1c(-c2cc(OC)c(OC)c(OC)c2)n[nH]c1=S,0,0.0,
+CCn1c(-c2cc(OC)ccc2OC)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+CCn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S,0,0.0,
+CCn1c(-c2ccc(F)cc2)n[nH]c1=S,0,0.0,
+CCn1c(-c2ccc(N(C)C)cc2)nc2ccccc21,0,0.0,
+CCn1c(-c2ccc(N)cc2)nc2ccccc21,0,0.0,
+CCn1c(-c2ccc(OC)c(OC)c2)n[nH]c1=S,0,0.0,
+CCn1c(-c2ccc3[nH]c(C)c(C)c3c2)n[nH]c1=S,0,0.0,
+CCn1c(-c2cccc(Br)c2)n[nH]c1=S,0,0.0,
+CCn1c(-c2cccc(Cl)c2)n[nH]c1=S,0,0.0,
+CCn1c(-c2ccccc2O)n[nH]c1=S,0,0.0,
+CCn1c(-c2ccco2)n[nH]c1=S,0,0.0,
+CCn1c(-c2ccco2)nc2ccccc21,0,0.0,
+CCn1c(-c2ccsc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,0,0.0,
+CCn1c(/C(C#N)=C(\O)CCc2ccccc2)nc2ccccc21,0,0.0,
+CCn1c(/C=N/n2cnnc2)nc2ccccc21,0,0.0,
+CCn1c(/N=C/c2c[nH]c3ccccc23)nc2ccccc21,0,0.0,
+CCn1c(=N)c(C(=O)NC)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCn1c(=N)c(C(=O)OC)cc2c(=O)n3ccccc3nc21,0,0.0,
+CCn1c(=N)c(C(N)=O)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+CCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc21,0,0.0,
+CCn1c(=N)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,1,100.0,1.0
+CCn1c(=N)n(CC(=O)OC)c2ccccc21,0,0.0,
+CCn1c(=N)n(CC(=O)c2cccc(OC)c2)c2ccccc21,1,100.0,1.0
+CCn1c(=N)n(CC(=O)c2ccco2)c2ccccc21,1,100.0,0.0
+CCn1c(=N)n(CC(O)COc2cccc(C)c2)c2ccccc21,0,0.0,
+CCn1c(=N)n(CC(O)c2ccco2)c2ccccc21,0,0.0,
+CCn1c(=N)n(CCO)c2ccccc21,0,0.0,
+CCn1c(=N)n(CCOc2ccc(OC)cc2)c2ccccc21,0,0.0,
+CCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2c(C)cc(C)cc21,0,0.0,
+CCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2c(OC)ccc(OC)c21,0,0.0,
+CCn1c(=NC(=O)CSC(C)=O)sc2cc(F)ccc21,0,0.0,
+CCn1c(=NC(=O)CSC(C)=O)sc2cc(OC)ccc21,0,0.0,
+CCn1c(=NC(=O)CSC(C)=O)sc2ccccc21,0,0.0,
+CCn1c(=NC(=O)CSCC(=O)Nc2nccs2)sc2ccccc21,0,0.0,
+CCn1c(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c(OC)ccc(OC)c21,0,0.0,
+CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cccc(OC)c21,1,100.0,0.0
+CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2c1=O,0,0.0,
+CCn1c(=O)c(-[n+]2ccccc2)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(-c2ccccc2)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc21,0,0.0,
+CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3CCCc4ccccc43)ccc21,0,0.0,
+CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21,0,0.0,
+CCn1c(=O)c(=O)n(CC)c2cc(S(=O)(=O)Nc3cccc(OC)c3)ccc21,0,0.0,
+CCn1c(=O)c(C(=O)CN2CC(C)OC(C)C2)c(N)n(Cc2ccccc2)c1=O,0,0.0,
+CCn1c(=O)c(C(=O)CN2CCCc3ccccc32)c(N)n(Cc2ccccc2)c1=O,0,0.0,
+CCn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O,0,0.0,
+CCn1c(=O)c(C(=O)NCCCO)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(C(=O)NCCN2CCCCC2)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(C(=O)NCCNCCO)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(C(=O)NCc2ccc(OC)cc2)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(C(=O)NCc2cccnc2)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(C(=O)Nc2cccnc2)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c(C(=O)Nn2c(C)nc3ccccc3c2=O)c(O)c2ccccc21,1,100.0,0.0
+CCn1c(=O)c(C(C)=O)nc2ccccc21,0,0.0,
+CCn1c(=O)c(C)nn2c3ccccc3nc12,0,0.0,
+CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21,0,0.0,
+CCn1c(=O)c2c(cnn2C)c2ccccc21,0,0.0,
+CCn1c(=O)c2c(n3cnnc13)-c1ccccc1CC21CCCCC1,0,0.0,
+CCn1c(=O)c2c(nc(SCC(=O)NCC3CCCO3)n2C)n(C)c1=O,0,0.0,
+CCn1c(=O)c2c(nc(SCc3ccccn3)n2C)n(C)c1=O,0,0.0,
+CCn1c(=O)c2c(nc3n2CC(C)CN3CCc2ccccc2)n(C)c1=O,0,0.0,
+CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O,0,0.0,
+CCn1c(=O)c2c3c(sc2n(C)c1=O)CCC3,0,0.0,
+CCn1c(=O)c2c3c(sc2n2c(SCc4ccc(F)cc4)nnc12)CCCC3,0,0.0,
+CCn1c(=O)c2cc(C(=O)N3CCCC3)sc2c2ccccc21,0,0.0,
+CCn1c(=O)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c2ccccc21,0,0.0,
+CCn1c(=O)c2cc(C(=O)N3CCOCC3)sc2c2ccccc21,0,0.0,
+CCn1c(=O)c2cc(C(=O)NCCN3CCOCC3)sc2c2ccccc21,0,0.0,
+CCn1c(=O)c2cc(C(=O)NCc3cccs3)sc2c2ccccc21,0,0.0,
+CCn1c(=O)c2cc(C(=O)Nc3cc(C)on3)sc2c2ccccc21,0,0.0,
+CCn1c(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2n(CC)c1=O,0,0.0,
+CCn1c(=O)c2cc(S(=O)(=O)NCCOc3ccccc3)ccc2n(CC)c1=O,0,0.0,
+CCn1c(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2n(CC)c1=O,0,0.0,
+CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCc4ccccc43)nnc12,0,0.0,
+CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12,0,0.0,
+CCn1c(=O)cc(C(=O)OC)sc1=Nc1ccc(F)c(F)c1,0,0.0,
+CCn1c(=O)cc(N2CCC3(CC2)OCCO3)[nH]c1=O,0,0.0,
+CCn1c(=O)cc(N2CCCCC2)[nH]c1=O,0,0.0,
+CCn1c(=O)cc(NC2=NCC(C)CN2c2cccc(Cl)c2)n(C)c1=O,0,0.0,
+CCn1c(=O)cc(O)c2c(=O)n(C)c(=O)n(C)c21,0,0.0,
+CCn1c(=O)cc(O)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)N(C)C2CCCCC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)N(C)c2ccccc2F)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)N2CCCC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)N2CCCCCC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)N2CCc3ccccc32)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)NC2CCCCC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)NCC2CCCO2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)NCCC(C)C)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)NCCCN2CC(C)CC(C)C2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)NCCCN2CCC(C)CC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21,1,100.0,1.0
+CCn1c(=O)cc(OCC(=O)NCc2ccc(C)o2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)NCc2cccnc2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)NCc2ccco2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)Nc2cc(C)ccn2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)Nc2ccc(C)cn2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)Nc2ccc(Cl)cn2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)Nc2ccccc2C#N)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)Nc2ccccc2N2CCN(C)CC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)Nc2cccnc2)c2ccccc21,1,100.0,0.0
+CCn1c(=O)cc(OCC(=O)Nc2nc(C)cs2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(OCC(=O)O)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)N2CCC(C)CC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)N2CCCCC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21,1,100.0,1.0
+CCn1c(=O)cc(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21,1,100.0,1.0
+CCn1c(=O)cc(SCC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)N2CCOCC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)NCCN2CCN(Cc3ccccc3)CC2)c2ccccc21,1,100.0,0.0
+CCn1c(=O)cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)NCc2ccccn2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)NCc2cccnc2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)NCc2ccco2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)Nc2ccccc2N2CCN(C)CC2)c2ccccc21,0,0.0,
+CCn1c(=O)cc(SCC(=O)Nc2cccnc2)c2ccccc21,0,0.0,
+CCn1c(=O)n(CC(=O)N(C)Cc2ccccc2)c(=O)c2ccccc21,0,0.0,
+CCn1c(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c(=O)c2ccccc21,0,0.0,
+CCn1c(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c2ccccc21,0,0.0,
+CCn1c(=O)n(CC(=O)NC2CCCC(C)C2C)c(=O)c2ccccc21,0,0.0,
+CCn1c(=O)n(CC(=O)NCc2ccccc2OC)c(=O)c2ccccc21,0,0.0,
+CCn1c(=O)n(CC(=O)NCc2ccco2)c(=O)c2ccccc21,0,0.0,
+CCn1c(=O)n(CC(=O)Nc2cc(OC)ccc2OC)c(=O)c2ccccc21,0,0.0,
+CCn1c(=O)n(CC(=O)Nc2cccc(OC)c2)c(=O)c2ccccc21,0,0.0,
+CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCC(c4ccccc4)CC3)ccc21,0,0.0,
+CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,0,0.0,
+CCn1c(=O)n(CC)c2cc(S(=O)(=O)NCCOc3ccccc3)c(C)cc21,0,0.0,
+CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3C)c(C)cc21,0,0.0,
+CCn1c(=O)n(CC)c2cc(S(N)(=O)=O)c(C)cc21,0,0.0,
+CCn1c(=O)n(CCOC)c(=O)c2c3c(sc21)CCCC3,0,0.0,
+CCn1c(=S)ccc2ccc(OC)cc21,0,0.0,
+CCn1c(=S)sc2c(=O)n(-c3ccccc3)c(SC)nc21,0,0.0,
+CCn1c(=S)sc2c(=O)n(-c3ccccc3)c(SCC(=O)NCc3ccco3)nc21,0,0.0,
+CCn1c(=S)sc2nc(C)sc21,0,0.0,
+CCn1c(C(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc2sccc21,0,0.0,
+CCn1c(C(=O)N2CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)cc2sccc21,0,0.0,
+CCn1c(C(=O)N2CCC(C(=O)NCCCSC3CCCCC3)CC2)cc2sccc21,0,0.0,
+CCn1c(C(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc2sccc21,0,0.0,
+CCn1c(C(=O)N2CCC(C(=O)NCc3cccs3)CC2)cc2sccc21,0,0.0,
+CCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2sccc21,0,0.0,
+CCn1c(C(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)cc2sccc21,0,0.0,
+CCn1c(C(=O)N2CCCC(C(=O)NCCc3ccc(C)cc3)C2)cc2sccc21,0,0.0,
+CCn1c(C(=O)N2CCCC(C(=O)O)C2)cc2sccc21,0,0.0,
+CCn1c(C(=O)N2CCc3ccccc3C2)cc2sccc21,0,0.0,
+CCn1c(C(=O)NC(C)c2ccc3c(c2)OCCO3)cc2sccc21,0,0.0,
+CCn1c(C(=O)NCCCN2CCc3ccccc3C2)cc2sccc21,1,100.0,1.0
+CCn1c(C(=O)NCCCc2ccccc2)cc2sccc21,0,0.0,
+CCn1c(C(=O)NCc2ccccn2)cc2sccc21,0,0.0,
+CCn1c(C(=O)NCc2cccnc2)cc2sc(Cl)cc21,0,0.0,
+CCn1c(C(=O)Nc2ccsc2C(=O)OC)cc2sc(Cl)cc21,0,0.0,
+CCn1c(C(=O)OC)cc2c1ccn2-c1ccc(F)cc1,0,0.0,
+CCn1c(C(C#N)/C(=N\S(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21,0,0.0,
+CCn1c(C(C)NC(=O)Cc2ccccc2)nc2ccccc21,0,0.0,
+CCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,0,0.0,
+CCn1c(C(C)NC(=O)c2cccc(C)c2)nc2ccccc21,0,0.0,
+CCn1c(C(C)NC(=O)c2cccs2)nc2ccccc21,0,0.0,
+CCn1c(C(C)NC(C)=O)nc2ccccc21,0,0.0,
+CCn1c(C(Cc2ccccc2)NC(=O)COC)nc2ccccc21,0,0.0,
+CCn1c(C(O)c2ccc(C)cc2)nc2ccccc21,0,0.0,
+CCn1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21,0,0.0,
+CCn1c(C(O)c2cccc(OC)c2OC)nc2ccccc21,0,0.0,
+CCn1c(C(O)c2ccccc2)nc2ccccc21,0,0.0,
+CCn1c(C)c(C(=O)O)c2cc(OC)ccc21,0,0.0,
+CCn1c(C)c(C(C)=O)c(N2CCC(C(N)=O)CC2)nc1=S,0,0.0,
+CCn1c(C)c(C(C)=O)c(N2CCCC2)nc1=S,0,0.0,
+CCn1c(C)c(C(C)=O)c(N2CCCCC2)nc1=S,0,0.0,
+CCn1c(C)c(C(C)=O)c(N2CCN(C(=O)c3ccco3)CC2)nc1=S,0,0.0,
+CCn1c(C)c(C(C)=O)c(NCc2ccccc2)nc1=S,0,0.0,
+CCn1c(C)c(CCC(=O)O)c(=O)n2nc(-c3ccccc3OC)cc12,0,0.0,
+CCn1c(C)c2c(C)nnc(C)c2c1C,0,0.0,
+CCn1c(C)cc(=S)c2ccccc21,0,0.0,
+CCn1c(C)csc1=NC(=O)c1ccccc1,0,0.0,
+CCn1c(C)csc1=NC(=O)c1ccccc1O,0,0.0,
+CCn1c(C)nc2c(=O)oc3ccccc3c21,0,0.0,
+CCn1c(C)nc2cc(-c3nc4n(n3)Cc3ccccc3-4)ccc21,0,0.0,
+CCn1c(C)nc2cc(-c3nnc(-c4c(-c5ccccc5)noc4C)o3)ccc21,0,0.0,
+CCn1c(C)nc2cc(C(=O)OC(C(F)(F)C(F)F)C(F)(F)C(F)F)ccc21,1,100.0,
+CCn1c(C)nc2cc(C(=O)OCCC(F)(F)F)ccc21,0,0.0,
+CCn1c(C)nc2cc(C(=O)n3cc(C(=O)c4cc(F)ccc4O)cn3)ccc21,0,0.0,
+CCn1c(C)nc2cc(S(=O)(=O)C(F)(F)C(F)C(F)(F)F)ccc21,0,0.0,
+CCn1c(C)nc2cc(S(=O)(=O)N3CCCC3)ccc21,0,0.0,
+CCn1c(C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+CCn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21,0,0.0,
+CCn1c(C2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21,0,0.0,
+CCn1c(C2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21,0,0.0,
+CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)NCc1ccccc1,0,0.0,
+CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)Nc1nccs1,0,0.0,
+CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(=O)OC,0,0.0,
+CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+CCn1c(CC(C)C)n[nH]c1=S,0,0.0,
+CCn1c(CCC(=O)Nc2cc(F)ccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1c(CCC(=O)Nc2nc3c(s2)CCCC3)nc2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1c(CCCNC(=O)c2cccs2)nc2ccccc21,0,0.0,
+CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1,0,0.0,
+CCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,0,0.0,
+CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)NC1CCCCC1,0,0.0,
+CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(OC)cc1,0,0.0,
+CCn1c(CCn2ccnc2C)n[nH]c1=S,1,100.0,
+CCn1c(CN2CCCCCC2=O)nnc1SCc1cnc(-c2ccccc2)s1,0,0.0,
+CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(CNC(=O)C(C)(C)C)nc2ccccc21,0,0.0,
+CCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCC(=O)Nc1nnc(C)s1,0,0.0,
+CCn1c(CNC(=O)COC)nc2ccccc21,0,0.0,
+CCn1c(CNC(=O)COc2c(C)cccc2C)nnc1SCC(=O)Nc1nccs1,0,0.0,
+CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1nccs1,0,0.0,
+CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)c1ccc(OC)cc1,0,0.0,
+CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SC,0,0.0,
+CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1,0,0.0,
+CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1cc(C)ccc1OC,0,0.0,
+CCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21,0,0.0,
+CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cccc(OC)c1,0,0.0,
+CCn1c(CNC(=O)c2ccccc2)nc2ccccc21,0,0.0,
+CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl,1,100.0,0.0
+CCn1c(CNC(C)=O)nnc1SCC(=O)c1ccc(Br)cc1,0,0.0,
+CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NCc1ccccc1,0,0.0,
+CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)N1CCCc2ccccc21,0,0.0,
+CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC,0,0.0,
+CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)OC1CCCCC1,0,0.0,
+CCn1c(CNc2ccc(F)cc2)nnc1SCCN1CCCCC1,1,100.0,1.0
+CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)N1CCCc2ccccc21,0,0.0,
+CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)c1ccc(OC)cc1,0,0.0,
+CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)OC1CCCCC1,0,0.0,
+CCn1c(CNc2cccc(Cl)c2)nnc1SCc1ccccc1,0,0.0,
+CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)NCc1ccccc1,1,100.0,1.0
+CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)OC1CCCCC1,1,100.0,1.0
+CCn1c(CNc2ccccc2Cl)nnc1SCCN1CCCCC1,1,100.0,1.0
+CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)NCc1ccco1,0,0.0,
+CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)C(C)(C)C,0,0.0,
+CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC,0,0.0,
+CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)N1CCCC1,0,0.0,
+CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C#N)cc1,0,0.0,
+CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1nccs1,0,0.0,
+CCn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccccc1,0,0.0,
+CCn1c(COc2cccc(C)c2)nnc1SCC(=O)CC(=O)Nc1ccccc1OC,0,0.0,
+CCn1c(COc2cccc(C)c2)nnc1SCC(=O)N1CCCC1,0,0.0,
+CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1,0,0.0,
+CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1,0,0.0,
+CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)N1CCOCC1,0,0.0,
+CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1cc(OC)ccc1OC,0,0.0,
+CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1cccc(OC)c1,0,0.0,
+CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1ccccc1C(=O)OC,0,0.0,
+CCn1c(COc2cccc3ccccc23)nnc1SCC(N)=O,0,0.0,
+CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)O,0,0.0,
+CCn1c(COc2ccccc2)nnc1SCC(=O)C(C)(C)C,0,0.0,
+CCn1c(COc2ccccc2)nnc1SCC(=O)CC(=O)Nc1ccccc1OC,0,0.0,
+CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CCCCC1,0,0.0,
+CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC,0,0.0,
+CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CCn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1,0,0.0,
+CCn1c(COc2ccccc2C(N)=O)nc2ccccc21,0,0.0,
+CCn1c(COc2ccccc2C)nnc1SCC(=O)CC(=O)Nc1ccccc1,1,100.0,
+CCn1c(COc2ccccc2C)nnc1SCC(=O)CC(=O)Nc1ccccc1OC,0,0.0,
+CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCC(C)CC1,0,0.0,
+CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCCCC1,0,0.0,
+CCn1c(COc2ccccc2C)nnc1SCC(=O)NC1CCCC1,0,0.0,
+CCn1c(COc2ccccc2C)nnc1SCC(=O)NCc1ccccc1,0,0.0,
+CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc(C)on1,0,0.0,
+CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CCn1c(COc2ccccc2C)nnc1SCC(=O)O,0,0.0,
+CCn1c(COc2ccccc2C)nnc1SCC(=O)OC,0,0.0,
+CCn1c(COc2ccccc2OC)nnc1SCC#N,0,0.0,
+CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)N1CCCc2ccccc21,0,0.0,
+CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1ccccc1,0,0.0,
+CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1,0,0.0,
+CCn1c(CSc2nc(C)cs2)nc2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1c(CSc2nc3ccccc3[nH]2)n[nH]c1=S,0,0.0,
+CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CCn1c(CSc2ncccn2)nnc1SCC(=O)N1CCc2ccccc21,1,100.0,0.0
+CCn1c(CSc2ncccn2)nnc1SCC(=O)N1c2ccccc2CC1C,0,0.0,
+CCn1c(CSc2nccn2C)nc2cc(C(=O)O)ccc21,0,0.0,
+CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(C(=O)O)ccc21,0,0.0,
+CCn1c(CSc2nnc(-c3ccoc3C)n2C)nc2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1c(CSc2nnc(C)n2-c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1c(CSc2nnc3ccccn23)nc2cc(C(=O)O)ccc21,0,0.0,
+CCn1c(CSc2nncn2-c2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1c(Cc2c(C)[nH]c3ccccc23)n[nH]c1=S,0,0.0,
+CCn1c(Cc2c(C)[nH]c3ccccc23)nnc1SCC(N)=O,0,0.0,
+CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)NC1CCCCC1,0,0.0,
+CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1,0,0.0,
+CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1nc2ccccc2s1,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)NC(C)(C)C,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)on1,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(C)c(C)s1,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2s1,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nccs1,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nnc(-c2ccccc2)s1,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)O,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCC(=O)OC(C)C,0,0.0,
+CCn1c(Cc2ccccc2)nnc1SCc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CCn1c(Cc2cccn2C)nnc1SCC(=O)c1ccc(C)cc1,0,0.0,
+CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(OC)c(OC)c1,0,0.0,
+CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)N1CCOCC1,0,0.0,
+CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(N(C)C)cc1,0,0.0,
+CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1cccc(C(C)=O)c1,0,0.0,
+CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1cccc(C)c1C,0,0.0,
+CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccccc1,0,0.0,
+CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCc1ccc(Cl)c(Cl)c1,0,0.0,
+CCn1c(N)c(C(=O)N2CCOCC2)sc1=S,0,0.0,
+CCn1c(N)c(C(=O)NC)sc1=S,0,0.0,
+CCn1c(N)c(C(=O)NC2CCCCC2)sc1=S,0,0.0,
+CCn1c(N)c(C(=O)NCC2CCCO2)sc1=S,0,0.0,
+CCn1c(N)c(C(=O)NCCCOC)sc1=S,0,0.0,
+CCn1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)sc1=S,0,0.0,
+CCn1c(N)c(C(=O)NCc2cccnc2)sc1=S,0,0.0,
+CCn1c(N)c(C(=O)NCc2ccco2)sc1=S,0,0.0,
+CCn1c(N)c(C(=O)Nc2ccccc2C(=O)OC)sc1=S,0,0.0,
+CCn1c(N)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(N)nc2ccccc21,1,100.0,0.0
+CCn1c(N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCn1c(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc2ccccc21,0,0.0,
+CCn1c(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nc2ccccc21,0,0.0,
+CCn1c(N2CCN(CC(=O)c3c(C)n(C)c4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCn1c(N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+CCn1c(N2CCN(CC(=O)c3ccc(OC)cc3)CC2)nc2ccccc21,0,0.0,
+CCn1c(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2ccccc21,0,0.0,
+CCn1c(NC(=O)Nc2ccccc2OC)nc2ccccc21,0,0.0,
+CCn1c(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)nc2ccccc21,0,0.0,
+CCn1c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c(=O)c2ccccc21,0,0.0,
+CCn1c(NC(=O)c2cccs2)c(-c2cccs2)c(=O)c2ccccc21,0,0.0,
+CCn1c(NC(=O)c2cccs2)nc2ccccc21,0,0.0,
+CCn1c(NC2CCCCC2)nc2ccccc21,0,0.0,
+CCn1c(NCCc2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(NCc2c[nH]c3ccccc23)nc2ccccc21,0,0.0,
+CCn1c(NCc2cc(OC)ccc2OC)nc2ccccc21,0,0.0,
+CCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21,0,0.0,
+CCn1c(NCc2cccc(OC)c2OC)nc2ccccc21,0,0.0,
+CCn1c(NCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(O)c(/C=N/n2cnnc2)sc1=S,0,0.0,
+CCn1c(O)c(C(=O)CC2NCCc3ccccc32)c(=O)n(CC)c1=S,0,0.0,
+CCn1c(O)c(C2=NCCCC2)c2ccccc21,0,0.0,
+CCn1c(O)c(C=NCCN2CCOCC2)sc1=S,0,0.0,
+CCn1c(O)c(C=NCCc2c[nH]c3ccccc23)c(=O)[nH]c1=O,0,0.0,
+CCn1c(O)c(C=NCc2cccs2)c(=O)[nH]c1=O,0,0.0,
+CCn1c(O)c(C=Nc2ccccc2)oc1=S,0,0.0,
+CCn1c(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SC(=O)NC2CCCCC2)nnc1-c1cccs1,0,0.0,
+CCn1c(SC(C)C(=O)O)nc2sc3c(c2c1=O)CCC3,0,0.0,
+CCn1c(SC(C)C(=O)OC)nnc1-c1c[nH]c2ccccc12,0,0.0,
+CCn1c(SC(C)C)nnc1-c1c[nH]c2ccccc12,0,0.0,
+CCn1c(SC)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SC)nnc1-c1c[nH]c2ccccc12,0,0.0,
+CCn1c(SC)nnc1-c1nnc(SC)n1CC,0,0.0,
+CCn1c(SC)nnc1-c1sc2cc(Cl)ccc2c1Cl,0,0.0,
+CCn1c(SC/C=C/c2ccccc2)nnc1-c1cccs1,0,0.0,
+CCn1c(SC/C=C/c2ccccc2)nnc1-c1cnccn1,0,0.0,
+CCn1c(SCC#N)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,0,0.0,
+CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccc1OC,0,0.0,
+CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cccnc1,0,0.0,
+CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cnccn1,0,0.0,
+CCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1cc2ccccc2cc1O,0,0.0,
+CCn1c(SCC(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)nc2ccccc2c1=O,0,0.0,
+CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C,0,0.0,
+CCn1c(SCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)nc2ccccc2c1=O,0,0.0,
+CCn1c(SCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)nnc1-c1ccccc1,0,0.0,
+CCn1c(SCC(=O)N2CCCC2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O,0,0.0,
+CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,0,0.0,
+CCn1c(SCC(=O)N2CCCc3ccccc32)nc2c(c1=O)SC(C)C2,1,100.0,
+CCn1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc2c1=O,0,0.0,
+CCn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21,0,0.0,
+CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1c[nH]c2ccccc12,0,0.0,
+CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc2c1=O,0,0.0,
+CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc2ccccc2c1=O,0,0.0,
+CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cc2cc(Cl)ccc2o1,0,0.0,
+CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccoc1C,0,0.0,
+CCn1c(SCC(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1ccoc1C,0,0.0,
+CCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O,0,0.0,
+CCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)N2CCOCC2)nc2oc3c(Cl)cc(Cl)cc3c(=O)c2c1=O,0,0.0,
+CCn1c(SCC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCCC3,0,0.0,
+CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)N2CCc3ccccc32)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1c[nH]c2ccccc12,0,0.0,
+CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)N2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O,0,0.0,
+CCn1c(SCC(=O)NC)nnc1C(C)C,0,0.0,
+CCn1c(SCC(=O)NC2CCCCC2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)NC2CCCCC2C)nnc1-c1ccc(OC)cc1,0,0.0,
+CCn1c(SCC(=O)NCC(=O)Nc2ccc(F)cc2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)NCC2CCCO2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)NCC2CCCO2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+CCn1c(SCC(=O)NCC2CCCO2)nnc1-c1c[nH]c2ccccc12,0,0.0,
+CCn1c(SCC(=O)NCCOC)nc2sc(C)c(C)c2c1=O,0,0.0,
+CCn1c(SCC(=O)NCCOC)nc2sc3c(c2c1=O)CCCC3,0,0.0,
+CCn1c(SCC(=O)NCCOc2ccccc2)nc2ccccc2c1=O,0,0.0,
+CCn1c(SCC(=O)NCCc2ccc(Cl)cc2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)NCc2ccc(F)cc2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1c[nH]c2ccccc12,0,0.0,
+CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O,0,0.0,
+CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1O,0,0.0,
+CCn1c(SCC(=O)NCc2ccco2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(N)cc1,0,0.0,
+CCn1c(SCC(=O)NCc2ccco2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C,0,0.0,
+CCn1c(SCC(=O)NCc2cccs2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)NCc2cccs2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nnc1-c1cccc(C)c1,1,100.0,0.0
+CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cnccn1,0,0.0,
+CCn1c(SCC(=O)Nc2cc(C)on2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)Nc2cc(C)on2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc(C)c(C)c2c1=O,0,0.0,
+CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc3c(c2c1=O)CCCC3,0,0.0,
+CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccnc1,0,0.0,
+CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccccn1,0,0.0,
+CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1cccnc1,0,0.0,
+CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1C1CCCCC1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21,0,0.0,
+CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1cccc(C)c1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1-c1ccc(N)cc1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O,0,0.0,
+CCn1c(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1cccnc1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1C1CC1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(OC)c1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1O,0,0.0,
+CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cnccn1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1cnccn1,0,0.0,
+CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1C(C)C,0,0.0,
+CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)Nc2cccc(F)c2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Br)ccc2o1,0,0.0,
+CCn1c(SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1C(C)C,0,0.0,
+CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1,0,0.0,
+CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccoc1C,0,0.0,
+CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccc(N)cc1,0,0.0,
+CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccoc1C,0,0.0,
+CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1O,0,0.0,
+CCn1c(SCC(=O)Nc2ccccc2F)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)Nc2ccccc2N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1ccccc1,0,0.0,
+CCn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1ccccc1O,0,0.0,
+CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cnccn1,0,0.0,
+CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1O,0,0.0,
+CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1,0,0.0,
+CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1O,0,0.0,
+CCn1c(SCC(=O)Nc2nc(C)c(C(=O)OC)s2)nnc1C(C)C,0,0.0,
+CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1cccnc1,0,0.0,
+CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1,0,0.0,
+CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(NC(=O)c1ccccc1Cl)C(C)C,0,0.0,
+CCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1-c1ccccc1,0,0.0,
+CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1-c1ccoc1C,0,0.0,
+CCn1c(SCC(=O)Nc2nc3ccccc3s2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(OC)cc1,0,0.0,
+CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2cccc(OC)c2o1,0,0.0,
+CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(C)cc1,0,0.0,
+CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1,0,0.0,
+CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)Nc2nnc(C)s2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)Nc2nonc2C)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)Nc2nonc2C)nnc1-c1ccoc1C,0,0.0,
+CCn1c(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C,0,0.0,
+CCn1c(SCC(=O)O)nc2sc3c(c2c1=O)CCC3,0,0.0,
+CCn1c(SCC(=O)O)nnc1-c1cc2c(C)nn(-c3ccccc3)c2s1,0,0.0,
+CCn1c(SCC(=O)O)nnc1-c1ccccc1,0,0.0,
+CCn1c(SCC(=O)O)nnc1C1CCCCC1,1,100.0,0.0
+CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCC3,0,0.0,
+CCn1c(SCC(=O)OC2CCCCC2)nc2ccccc2c1=O,0,0.0,
+CCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)OCc2ccccc2)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc(C)c(C)c2c1=O,0,0.0,
+CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)nnc1-c1cccnc1,0,0.0,
+CCn1c(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)nc2ccccc21,0,0.0,
+CCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1C(C)C,0,0.0,
+CCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1C1CC1,0,0.0,
+CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccoc1C,0,0.0,
+CCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nnc1-c1cccs1,1,100.0,
+CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccoc1C,0,0.0,
+CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C(C)C,0,0.0,
+CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccoc1C,0,0.0,
+CCn1c(SCC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC,0,0.0,
+CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1C(C)NC(=O)c1ccc(OC)cc1,0,0.0,
+CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1C(C)C,0,0.0,
+CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)SC(C)C2,0,0.0,
+CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc2cc(Br)ccc2o1,0,0.0,
+CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccoc1C,0,0.0,
+CCn1c(SCC(=O)c2ccccc2)nnc1-c1cnccn1,0,0.0,
+CCn1c(SCC(=O)c2cccs2)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)c2cccs2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCC(=O)n2c(C)c(C)c3ccccc32)nnc1-c1ccco1,0,0.0,
+CCn1c(SCC(=O)n2nc(C)cc2C)nnc1-c1ccc2c(c1)OCO2,0,0.0,
+CCn1c(SCC(N)=O)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,0,0.0,
+CCn1c(SCC(N)=O)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCC(N)=O)nc2ccccc2c1=O,0,0.0,
+CCn1c(SCC(N)=O)nnc1-c1cc2c(C)nn(-c3ccccc3)c2s1,1,100.0,0.0
+CCn1c(SCC(N)=O)nnc1-c1ccc(OC)c(OC)c1,0,0.0,
+CCn1c(SCC(N)=O)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,0,0.0,
+CCn1c(SCC(N)=O)nnc1-c1ccc2[nH]c(C)c(C)c2c1,0,0.0,
+CCn1c(SCC(N)=O)nnc1-c1ccco1,0,0.0,
+CCn1c(SCCC#N)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCCC(=O)Nc2ccccc2)nnc1-c1ccc(OC)cc1,0,0.0,
+CCn1c(SCCC(=O)O)nnc1-c1cccnc1,0,0.0,
+CCn1c(SCCC(C)C)nnc1-c1c[nH]c2ccccc12,0,0.0,
+CCn1c(SCCN2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CCn1c(SCCOc2ccc(Cl)cc2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCCOc2ccc(OC)cc2)nnc1C(CO)NC(=O)c1ccc(OC)cc1,0,0.0,
+CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1,0,0.0,
+CCn1c(SCc2cc(=O)[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+CCn1c(SCc2ccc(C(=O)OC)o2)nc2sc3c(c2c1=O)CCCC3,0,0.0,
+CCn1c(SCc2ccc(C(=O)OC)o2)nnc1-c1c[nH]c2ccccc12,0,0.0,
+CCn1c(SCc2ccc(C)cc2)nnc1-c1cnccn1,0,0.0,
+CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCc2cccc(C(=O)O)c2)nnc1-c1ccccc1,0,0.0,
+CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1,0,0.0,
+CCn1c(SCc2cccc(OC)c2)nnc1-c1ccco1,0,0.0,
+CCn1c(SCc2ccccc2)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,1,100.0,0.0
+CCn1c(SCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCc2cccnc2)nnc1-c1c[nH]c2ccccc12,0,0.0,
+CCn1c(SCc2nc(-c3ccc(OC)c(OC)c3)no2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCc2nc(-c3ccccc3)no2)nc2ccccc21,0,0.0,
+CCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1c[nH]c2ccccc12,0,0.0,
+CCn1c(SCc2nc(CC(=O)Nc3ccccc3OC)no2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1OC,0,0.0,
+CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1,0,0.0,
+CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1,0,0.0,
+CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O,0,0.0,
+CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cccnc1,0,0.0,
+CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1cccs1,0,0.0,
+CCn1c(SCc2nc3ccccc3s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CCn1c(SCc2nc3ccccc3s2)nnc1-c1cccs1,0,0.0,
+CCn1c(SCc2nnc(-c3ccccc3)o2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+CCn1c(Sc2ccc(N)cc2Cl)nc2ccccc21,0,0.0,
+CCn1c(Sc2nc(C)nc3scc(-c4cccs4)c23)n[nH]c1=O,0,0.0,
+CCn1c2c(c3cc(Br)ccc31)CCC/C2=N\O,0,0.0,
+CCn1c2c(c3cc(C(=O)O)ccc31)CCCC2=O,0,0.0,
+CCn1c2c(c3cc(Cl)ccc31)CCCC2=O,0,0.0,
+CCn1c2c(c3ccc(OC)cc31)CCCC2=O,0,0.0,
+CCn1c2ccc(CC(=O)O)cc2c2cc(CC(=O)O)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(/C=N/n3cnnc3)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(C3C(C#N)=C(C)NC(C)=C3C#N)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(C3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(C3C(C#N)=C(N)Oc4n[nH]c(COC)c43)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(C3N=C(N)Nc4nc5ccccc5n43)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(CN3CCN(C(=O)c4ccco4)CC3)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(N)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(NC(=O)CCCN3C(=O)CCC3=O)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(NC(=O)COC(=O)C3CCC(=O)N3)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(NC(=O)COC(=O)Cc3cn4ccsc4n3)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccccc4OC)n3N)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccco3)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(NC(=O)c3ccco3)ccc21,0,0.0,
+CCn1c2ccccc2c2cc(Nc3cc(C)nc4ncnn34)ccc21,0,0.0,
+CCn1c2ccccc2c2nc3cc(OC)c(OC)cc3nc21,1,100.0,0.0
+CCn1c2ccccc2c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3nc21,0,0.0,
+CCn1c2ccccc2c2nc3ccccc3nc21,0,0.0,
+CCn1c2ccccc2c2nn(C)c(=N)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCC(=O)N3CC(C)OC(C)C3)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCC(=O)NC(C(=O)OC)C(C)C)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCC(=O)NC(CC(C)C)C(=O)OC)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCC(=O)NCCOC)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCC(=O)NCc3cccs3)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCC(=O)Nc3cc(C)on3)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCC(=O)OCN3C(=O)c4ccccc4C3=O)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCc3cc(=O)n4ccsc4n3)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCc3ccc(C(=O)OC)o3)nc21,0,0.0,
+CCn1c2ccccc2c2nnc(SCc3ccccc3)nc21,0,0.0,
+CCn1cc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)c(C)n1,0,0.0,
+CCn1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cn1,0,0.0,
+CCn1cc(/C=N/O)c(C)n1,0,0.0,
+CCn1cc(Br)c(-c2nc3ccccc3c(=O)n2N)n1,0,0.0,
+CCn1cc(Br)c(C(=O)N(C)Cc2ccccc2)n1,0,0.0,
+CCn1cc(Br)c(C(=O)N2CCN(c3ccccc3)CC2)n1,0,0.0,
+CCn1cc(Br)c(C(=O)NC(C)c2ccccc2)n1,0,0.0,
+CCn1cc(Br)c(C(=O)NCc2ccco2)n1,0,0.0,
+CCn1cc(Br)c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)n1,0,0.0,
+CCn1cc(Br)c(C(=O)Nc2ccc(OC)cc2)n1,0,0.0,
+CCn1cc(Br)c(C(=O)Nc2cccc(Cl)c2)n1,0,0.0,
+CCn1cc(Br)c(C(=O)Nc2cccc(SC)c2)n1,0,0.0,
+CCn1cc(C(=O)N(CCCN2CCOCC2)Cc2ccco2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)N2CC(C)CC(C)C2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1cc(C(=O)N2CC(C)CC(C)C2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CCn1cc(C(=O)N2CC=C(c3ccccc3)CC2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CCn1cc(C(=O)N2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,0,0.0,
+CCn1cc(C(=O)N2CCCc3ccccc32)c2cc(OC)c(OC)cc2c1=O,1,100.0,
+CCn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)N2CCN(C3CCCCC3)CC2)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21,0,0.0,
+CCn1cc(C(=O)N2CCc3ccccc32)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CCn1cc(C(=O)N2CCn3c(nc4ccccc43)C2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)N=c2sc3ccccc3n2C)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)NC2CC3CCC2C3)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NC2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1cc(C(=O)NC2CCCCC2C)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NC2CCCCCC2)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)NC2CCc3ccccc32)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)NCC(=O)OC)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,0,0.0,
+CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,0,0.0,
+CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NCC2CCCO2)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)NCC2COc3ccccc3O2)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1cc(C(=O)NCCCN(C)C)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,0,0.0,
+CCn1cc(C(=O)NCCCN(C)c2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1cc(C(=O)NCCCN2CC(C)CC(C)C2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1cc(C(=O)NCCCN2CC(C)CC(C)C2)c2cc(OC)c(OC)cc2c1=O,1,100.0,0.0
+CCn1cc(C(=O)NCCCN2CCC(C)CC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NCCCN2CCC(C)CC2)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)NCCCOC(C)C)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NCCCOC)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)NCCN(C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1cc(C(=O)NCCOC)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,0,0.0,
+CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NCc2ccc(OC)cc2OC)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,0,0.0,
+CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)NCc2ccccc2OC)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1cc(C(=O)NCc2ccccc2OC)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,0,0.0,
+CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NCc2cccnc2)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21,0,0.0,
+CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CC(C)CC(C)C3)ccc21,0,0.0,
+CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,0,0.0,
+CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21,0,0.0,
+CCn1cc(C(=O)NCc2ccco2)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)NCc2cccs2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CCn1cc(C(=O)NCc2cccs2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)Nc2cc3c(cc2NC(C)=O)OCCO3)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)Nc2ccc(-n3cnnn3)c(OC)c2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)Nc2cccc(C(=O)OC)c2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)Nc2cccc(NC(C)=O)c2)c2cc(OC)c(OC)cc2c1=O,0,0.0,
+CCn1cc(C(=O)Nc2ccccc2C(=O)OC)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)Nc2nncs2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21,0,0.0,
+CCn1cc(C(=O)Nn2cnnc2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)Nc4ccccc4)CC3)cc21,0,0.0,
+CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,0,0.0,
+CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,0,0.0,
+CCn1cc(C(=O)O)c(=O)c2cc(OC)ccc21,0,0.0,
+CCn1cc(C(=O)O)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,0,0.0,
+CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=O)Nc4cccc5ccccc45)CC3)nc21,0,0.0,
+CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=O)Nc4ccccc4)CC3)nc21,0,0.0,
+CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,0,0.0,
+CCn1cc(C(=O)OC(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)OCC(=O)OC2CC(C)CCC2C(C)C)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)OCc2ccc(F)cc2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)OCc2cccc(Br)c2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(=O)OCc2ccccc2)c(=O)c2ccc(C)nc21,0,0.0,
+CCn1cc(C(C)(C)C)c(C#N)c1NC(C)=O,0,0.0,
+CCn1cc(C(C)NC(=O)COc2ccc(Cl)cc2C)c(C)n1,0,0.0,
+CCn1cc(C2=NC(C(C)C)CO2)c2ccccc21,1,100.0,1.0
+CCn1cc(C2=NC(c3ccccc3)CO2)c2ccccc21,0,0.0,
+CCn1cc(C2=NCC(C)O2)c2ccccc21,0,0.0,
+CCn1cc(C2=NOC(C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)C2)c(C)n1,0,0.0,
+CCn1cc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c(C)n1,0,0.0,
+CCn1cc(C2=NOC(C(=O)Nc3cc(OC)c(Cl)cc3OC)C2)c(C)n1,0,0.0,
+CCn1cc(C2=NOC(C(=O)Nc3ccc4c(c3)OCO4)C2)c(C)n1,0,0.0,
+CCn1cc(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c(C)n1,0,0.0,
+CCn1cc(C2=NOC(C(=O)Nc3ccccc3C(=O)OC)C2)c(C)n1,0,0.0,
+CCn1cc(C2=NOC(C(=O)O)C2)c(C)n1,0,0.0,
+CCn1cc(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc21,0,0.0,
+CCn1cc(C2Nc3ccccc3C(=O)N2O)c(C)n1,0,0.0,
+CCn1cc(CN(C)C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)n1,0,0.0,
+CCn1cc(CNC(=O)C2C3CCC(C3)C2C(=O)O)cn1,0,0.0,
+CCn1cc(CNC(=O)CCc2ccc(OC)cc2)cn1,0,0.0,
+CCn1cc(CNC(=O)c2cc(Cl)ccc2OC)c(C)n1,0,0.0,
+CCn1cc(Cl)c(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)n1,0,0.0,
+CCn1cc(NC(=O)Nc2ccc(OC)c(OC)c2)c(C(N)=O)n1,0,0.0,
+CCn1cc(NC(=O)Nc2ccccc2C(=O)OC)c(C(N)=O)n1,0,0.0,
+CCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21,0,0.0,
+CCn1cc(S(=O)(=O)CC(=O)NC2CCCCC2)c2ccccc21,1,100.0,
+CCn1cc(S(=O)(=O)CC(=O)Nc2cc(C)ccc2C)c2ccccc21,0,0.0,
+CCn1cc(S(=O)(=O)CC(=O)Nc2cc(C)on2)c2ccccc21,0,0.0,
+CCn1cc(S(=O)(=O)CC(=O)Nc2ccc(C)cc2)c2ccccc21,0,0.0,
+CCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OC)cc2)c2ccccc21,0,0.0,
+CCn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21,0,0.0,
+CCn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21,0,0.0,
+CCn1cc(S(=O)(=O)CC(=O)Nc2cccc(C)c2)c2ccccc21,0,0.0,
+CCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21,0,0.0,
+CCn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,0,0.0,
+CCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21,0,0.0,
+CCn1cc(SCC(N)=O)c2ccccc21,0,0.0,
+CCn1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C,0,0.0,
+CCn1ccc(=N)cc1,0,0.0,
+CCn1ccc(C(=O)Nc2ccc(Cl)cn2)n1,0,0.0,
+CCn1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)n1,0,0.0,
+CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)n1,0,0.0,
+CCn1ccc(C(=O)Oc2ccc(C(C)C)cc2)n1,0,0.0,
+CCn1ccnc1C(O)c1ccc(N(C)C)cc1,0,0.0,
+CCn1ccnc1C(O)c1cccc(OC)c1,0,0.0,
+CCn1ccnc1C(O)c1cccc(OC)c1OC,0,0.0,
+CCn1cnc2c1c(=O)n(CC(=O)N1CCc3ccccc31)c(=O)n2Cc1ccccc1,0,0.0,
+CCn1cnc2c1c(=O)n(CC(=O)Nc1cc(C)on1)c(=O)n2Cc1ccccc1,0,0.0,
+CCn1cnc2c1c(=O)n(Cc1csc(-c3ccccc3)n1)c(=O)n2Cc1ccccc1,0,0.0,
+CCn1cnc2c1c(=O)n(Cc1nnc3n1-c1ccccc1SC3)c(=O)n2Cc1ccccc1,0,0.0,
+CCn1cnc2cc(NCc3ccc(C)cc3)ccc21,0,0.0,
+CCn1cnc2cc(NCc3cccc(OC)c3O)ccc21,0,0.0,
+CCn1cnc2cc(NCc3ccncc3)ccc21,0,0.0,
+CCn1cnc2cc(NCc3nc4ccccc4n3C)ccc21,0,0.0,
+CCn1cnc2sc(-c3ccccc3)cc2c1=O,0,0.0,
+CCn1cnc2sc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(C)c2c1=O,0,0.0,
+CCn1cnc2sc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)c2c1=O,0,0.0,
+CCn1cnc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c2c1=O,0,0.0,
+CCn1cnc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c2c1=O,0,0.0,
+CCn1cnc2sc(C(=O)O)c(C)c2c1=O,0,0.0,
+CCn1cnc2scc(-c3ccccc3)c2c1=O,1,100.0,
+CCn1nc(-c2ccccc2)c2nc3ccccc3nc21,0,0.0,
+CCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2,0,0.0,
+CCn1nc(-c2cccs2)nc2c(=O)n(C)c(=O)nc1-2,0,0.0,
+CCn1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2c1=O,0,0.0,
+CCn1nc(C(=O)N2CCc3ccccc3C2)c2ccccc2c1=O,0,0.0,
+CCn1nc(C(=O)NC2=NCCS2)c2ccccc2c1=O,0,0.0,
+CCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O,0,0.0,
+CCn1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc2c1=O,0,0.0,
+CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,0,0.0,
+CCn1nc(C(=O)OC2CCOC2=O)c2ccccc2c1=O,0,0.0,
+CCn1nc(C(=O)OCC(=O)N2CCc3ccccc32)c2ccccc2c1=O,0,0.0,
+CCn1nc(C(=O)OCC(=O)N2c3ccccc3CC2C)c2ccccc2c1=O,0,0.0,
+CCn1nc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)c2ccccc2c1=O,0,0.0,
+CCn1nc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c2ccccc2c1=O,0,0.0,
+CCn1nc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c2ccccc2c1=O,0,0.0,
+CCn1nc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c2ccccc2c1=O,0,0.0,
+CCn1nc(C(=O)OCc2c(C)noc2C)c2ccccc2c1=O,0,0.0,
+CCn1nc(C)c(/C=C2\CCCC3=C2OC(N)=C(C#N)C3c2c(C)nn(CC)c2C)c1C,0,0.0,
+CCn1nc(C)c(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1C,0,0.0,
+CCn1nc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2C)c1C,0,0.0,
+CCn1nc(C)c(NC(=O)c2cc(Br)ccc2Cl)c1C,0,0.0,
+CCn1nc(C)c(Oc2ccccc2O)c1C,0,0.0,
+CCn1nc(CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c2ccccc2c1=O,0,0.0,
+CCn1nc(CC(=O)Nc2nnc(CC(=O)N3CCCC3)s2)c2ccccc2c1=O,0,0.0,
+CCn1nc(CC(=O)Nc2nnc(CC(=O)N3CCCCC3)s2)c2ccccc2c1=O,0,0.0,
+CCn1nc(NC(=O)c2ccccn2)c2cc3cc(C)ccc3nc21,0,0.0,
+CCn1nc(NC(=O)c2ccccn2)c2cc3cccc(C)c3nc21,0,0.0,
+CCn1nc(NC(=O)c2cccnc2)c2cc3cccc(C)c3nc21,0,0.0,
+CCn1nc(NC(=O)c2cccnc2)c2cc3ccccc3nc21,0,0.0,
+CCn1nc(NC(=O)c2ccco2)c2cc3ccc(C)cc3nc21,0,0.0,
+CCn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21,0,0.0,
+CCn1nc(NC(=O)c2ccncc2)c2cc3cc(C)ccc3nc21,0,0.0,
+CCn1nc(NC(=O)c2ccncc2)c2cc3ccc(C)cc3nc21,0,0.0,
+CCn1nc(NC(=O)c2ccncc2)c2cc3cccc(C)c3nc21,0,0.0,
+CCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21,0,0.0,
+CCn1nc(NS(=O)(=O)c2ccccc2)c2cc3cccc(C)c3nc21,0,0.0,
+CCn1ncc(Br)c1C(=O)N(C)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CCn1ncc(Br)c1C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC,0,0.0,
+CCn1ncc(Br)c1C(=O)Nc1cc(C)ccc1F,0,0.0,
+CCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1,0,0.0,
+CCn1ncc(Br)c1C(=O)Nc1ccc(F)cc1F,0,0.0,
+CCn1ncc(Br)c1C(=O)Nc1nccs1,0,0.0,
+CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C(=O)OC)CCC2,0,0.0,
+CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2,0,0.0,
+CCn1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)N3CCC(C(N)=O)CC3)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)N3CCN(c4ccccc4)CC3)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)NCCc3ccccc3)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)NCc3ccc(Cl)cc3)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)NCc3ccc(OC)cc3)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)NCc3ccccc3)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)Nc3cc(OC)c(Cl)cc3OC)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)Nc3ccc4c(c3)OCO4)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)Nc3ccccc3C(=O)OC)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)Nc3cccnc3)C2)c1C,0,0.0,
+CCn1ncc(C2=NOC(C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)C2)c1C,0,0.0,
+CCn1ncc(CN2CCN(C(=O)Nc3ccccc3C(=O)OC)CC2)c1C,0,0.0,
+CCn1ncc(Cl)c1C(=O)NC(C)c1ccccc1,0,0.0,
+CCn1ncc(Cl)c1C(=O)Nc1cc(Cl)ccc1Cl,0,0.0,
+CCn1ncc(Cl)c1C(=O)Nc1ccncc1,0,0.0,
+CCn1ncc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1C(N)=O,0,0.0,
+CCn1ncc2c(OCc3ccc(C#N)cc3)cc(C)nc21,0,0.0,
+CCn1ncc2c1C(=O)NC1c3ccccc3C(=O)N21,0,0.0,
+CCn1nccc1C(=O)NC1=C(C#N)CCC1,0,0.0,
+CCn1nccc1C(=O)Nc1cc(Cl)ccc1Cl,0,0.0,
+CCn1nccc1C(=O)Nc1ccc(Cl)cc1Cl,0,0.0,
+CCn1nccc1C(=O)Nc1nccs1,0,0.0,
+CCn1nnc(-c2ccccc2NC(=O)C(F)(F)F)n1,0,0.0,
+CCn1nnc(-c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)n1,0,0.0,
+CCn1nnc(-c2ccccc2NC(=O)c2cc(OC)cc(OC)c2)n1,0,0.0,
+CCn1nnc(-c2ccccc2NC(=O)c2ccc(-n3cnnn3)cc2)n1,0,0.0,
+CCn1nnc(-c2ccccc2NC(=O)c2cccc(-n3cnnn3)c2)n1,0,0.0,
+CCn1nnc(-c2ccccc2NS(=O)(=O)c2ccc(C(=O)OC)cc2)n1,0,0.0,
+CCn1nnc(-c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1,0,0.0,
+CCn1nnc(C(=O)O)c1C(=O)O,0,0.0,
+CCn1nnc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)n1,0,0.0,
+CCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1,0,0.0,
+CCn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1,0,0.0,
+CCn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1,0,0.0,
+CCn1nnc(NC(=O)c2c(OC)cccc2OC)n1,0,0.0,
+CCn1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)n1,0,0.0,
+CCn1nnc(NC(=O)c2cc3ccccc3o2)n1,1,100.0,
+CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1,0,0.0,
+CCn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1,0,0.0,
+CCn1nnc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)n1,0,0.0,
+CCn1nnc(NC(=O)c2ccccc2Br)n1,0,0.0,
+CCn1nnc(NC(=O)c2cccnc2)n1,1,100.0,
+CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1,0,0.0,
+CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1,0,0.0,
+CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)c1,0,0.0,
+CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1,0,0.0,
+CCn1nnnc1NCc1ccc(N2CCCC2)cc1,1,100.0,1.0
+CCn1nnnc1NCc1cccn1C,0,0.0,
+CCn1nnnc1Oc1ccc(Cl)cc1,0,0.0,
+CCn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1,0,0.0,
+CCn1nnnc1SCC(=O)N1CCOCC1,0,0.0,
+CCn1nnnc1SCC(=O)N1c2ccccc2CCc2ccccc21,0,0.0,
+CCn1nnnc1SCC(=O)NCc1ccco1,0,0.0,
+CCn1nnnc1SCC(=O)NCc1cccs1,0,0.0,
+CCn1nnnc1SCC(=O)Nc1cc(OC)cc(OC)c1,0,0.0,
+CCn1nnnc1SCC(=O)Nc1cccc(C)n1,0,0.0,
+CCn1nnnc1SCC(=O)Nc1nc(-c2cccs2)cs1,0,0.0,
+CCn1nnnc1SCC(=O)Nc1nnc(C(C)C)s1,0,0.0,
+CCn1nnnc1SCC(=O)c1cc(OC)ccc1OC,0,0.0,
+CCn1nnnc1SCC(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+CCn1nnnc1SCCSc1nnnn1CC,0,0.0,
+CN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1,0,0.0,
+CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1(C)CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)C1CCCO1)c1nnc(-c2ccccn2)s1,0,0.0,
+CN(C(=O)C1CCCO1)c1nnc(-c2ccncc2)s1,0,0.0,
+CN(C(=O)C1CCCO1)c1nnc(-c2cnccn2)s1,0,0.0,
+CN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)C1CCCCC1,0,0.0,
+CN(C(=O)C1CCOC1)c1nnc(-c2ccccn2)s1,0,0.0,
+CN(C(=O)C1CCOC1)c1nnc(-c2cccnc2)s1,0,0.0,
+CN(C(=O)C1CCOC1)c1nnc(-c2ccncc2)s1,0,0.0,
+CN(C(=O)C1CCOC1)c1nnc(-c2cnccn2)s1,0,0.0,
+CN(C(=O)C1CCOC1)c1nnc(C2CCOC2)s1,0,0.0,
+CN(C(=O)CCN1C(=O)C(C)(C)Nc2ccccc21)c1ccccc1,0,0.0,
+CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1C(=O)O,0,0.0,
+CN(C(=O)CN1CCC(NC(=O)C2CCCCC2)CC1)C1CCCCC1,0,0.0,
+CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)C1CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)C1CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)C1CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)COC(=O)COc1ccc(Cl)cc1)C1CCCCC1,0,0.0,
+CN(C(=O)COC(=O)COc1ccccc1F)C1CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)COC(=O)c1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)COC(=O)c1ccccc1Nc1ccccc1)C1CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C1CCS(=O)(=O)C1,1,100.0,1.0
+CN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1ccc(Br)cc1,0,0.0,
+CN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1ccc(Cl)cc1,0,0.0,
+CN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(Cl)c1,0,0.0,
+CN(C(=O)COc1ccc(C(C)(C)C)cc1)C1CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)COc1cccc(Br)c1)C1CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1,0,0.0,
+CN(C(=O)COc1ccccc1)c1nnc(-c2ccncc2)s1,0,0.0,
+CN(C(=O)COc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccccc1,0,0.0,
+CN(C(=O)CSc1nc(-c2ccc(F)cc2)cs1)C1CCS(=O)(=O)C1,1,100.0,0.0
+CN(C(=O)CSc1nc(N)nn1-c1ccccc1)c1ccccc1,0,0.0,
+CN(C(=O)CSc1nc2c(c(=O)[nH]1)CCCC2)C1CCCCC1,0,0.0,
+CN(C(=O)CSc1nc2ccccc2n1CCc1ccccc1)C1CCS(=O)(=O)C1,1,100.0,0.0
+CN(C(=O)CSc1ncccc1C(=O)O)c1ccccc1,0,0.0,
+CN(C(=O)CSc1nnc(-c2ccco2)o1)C1CCCCC1,0,0.0,
+CN(C(=O)CSc1nnc(NC2CCCCC2)s1)C1CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)CSc1nnnn1-c1ccccc1)C1CCCCC1,0,0.0,
+CN(C(=O)Cn1c(=O)n(CCCCC(=O)NC2CCCC2)c(=O)c2ccccc21)C1CCCCC1,0,0.0,
+CN(C(=O)NC(=O)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)S(C)(=O)=O,0,0.0,
+CN(C(=O)NC(=O)NC1C2CC3CC(C2)CC1C3)S(C)(=O)=O,0,0.0,
+CN(C(=O)OCc1ccccc1)C(CC(N)=O)C(=O)O,0,0.0,
+CN(C(=O)Oc1cccc2cccnc12)c1ccccc1,0,0.0,
+CN(C(=O)c1c(Cl)nc2sccn12)C1CCCCC1,0,0.0,
+CN(C(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2)c1ccc(OC(F)(F)F)cc1,0,0.0,
+CN(C(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2)c1ccccc1,1,100.0,0.0
+CN(C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)C1CCCCC1,0,0.0,
+CN(C(=O)c1cc2sccc2n1C)C1CCCCC1,1,100.0,0.0
+CN(C(=O)c1ccc(=O)[nH]c1)C1(C(=O)NC2CCCCC2)CCCCC1,0,0.0,
+CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1C(=O)O,0,0.0,
+CN(C(=O)c1ccc(Cl)cc1)C1=CCCCC1CCC#N,0,0.0,
+CN(C(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1)c1ccccc1,0,0.0,
+CN(C(=O)c1ccc(NC(=O)c2cnccn2)cc1)C1CCCCC1,0,0.0,
+CN(C(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1)C1CCCCC1,0,0.0,
+CN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccccc1,0,0.0,
+CN(C(=O)c1ccc2c(c1)OCO2)C1(C(=O)NC2CCCC2)CCCCC1,0,0.0,
+CN(C(=O)c1ccc2c(c1)OCO2)C1(C(=O)NC2CCCCC2)CCCCC1,0,0.0,
+CN(C(=O)c1cccc(C#N)c1)c1nnc(-c2ccccn2)s1,0,0.0,
+CN(C(=O)c1cccc(C#N)c1)c1nnc(-c2ccncc2)s1,0,0.0,
+CN(C(=O)c1cccc(C#N)c1)c1nnc(-c2cnccn2)s1,0,0.0,
+CN(C(=O)c1cccc(C#N)c1)c1nnc(C2CCCO2)s1,1,100.0,0.0
+CN(C(=O)c1cccc(C#N)c1)c1nnc(C2CCOC2)s1,0,0.0,
+CN(C(=O)c1cccc(N2C(=O)C3CC=CCC3C2=O)c1)C1CCCCC1,0,0.0,
+CN(C(=O)c1ccccc1)C1(C)CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)c1ccccc1)c1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1,0,0.0,
+CN(C(=O)c1ccccc1)c1nc2ccccc2s1,0,0.0,
+CN(C(=O)c1ccccc1C(=O)c1ccccc1)C1CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)c1ccccc1Cl)C1CCCCC1,0,0.0,
+CN(C(=O)c1ccccc1Cl)c1ccccc1,0,0.0,
+CN(C(=O)c1ccccn1)C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1,0,0.0,
+CN(C(=O)c1ccccn1)c1nnc(-c2ccccn2)s1,0,0.0,
+CN(C(=O)c1ccccn1)c1nnc(-c2cccnc2)s1,0,0.0,
+CN(C(=O)c1ccccn1)c1nnc(-c2ccncc2)s1,0,0.0,
+CN(C(=O)c1ccccn1)c1nnc(-c2cnccn2)s1,0,0.0,
+CN(C(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CN(C(=O)c1cccnc1)c1nc(-c2ccccc2)cs1,0,0.0,
+CN(C(=O)c1cccnc1)c1nnc(-c2ccccn2)s1,0,0.0,
+CN(C(=O)c1cccnc1)c1nnc(-c2cccnc2)s1,0,0.0,
+CN(C(=O)c1cccnc1)c1nnc(-c2cnccn2)s1,0,0.0,
+CN(C(=O)c1ccco1)C1(c2ccccc2Cl)CCCCC1=O,0,0.0,
+CN(C(=O)c1ccco1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1,0,0.0,
+CN(C(=O)c1cccs1)c1ccccc1C(=O)O,0,0.0,
+CN(C(=O)c1ccncc1)C1CC(C)(C)N(O)C(C)(C)C1,0,0.0,
+CN(C(=O)c1ccncc1)C1CCS(=O)(=O)C1,0,0.0,
+CN(C(=O)c1ccncc1)c1nnc(-c2ccccn2)s1,0,0.0,
+CN(C(=O)c1ccncc1)c1nnc(-c2cccnc2)s1,0,0.0,
+CN(C(=O)c1ccncc1)c1nnc(-c2ccncc2)s1,0,0.0,
+CN(C(=O)c1ccncc1)c1nnc(-c2cnccn2)s1,0,0.0,
+CN(C(=O)c1ccno1)c1nnc(-c2ccccn2)s1,0,0.0,
+CN(C(=O)c1ccno1)c1nnc(-c2cccnc2)s1,0,0.0,
+CN(C(=O)c1ccno1)c1nnc(-c2cnccn2)s1,0,0.0,
+CN(C(=O)c1cnc(N2CCN(c3ncccn3)CC2)c2ccccc12)c1ccc(Cl)cc1,0,0.0,
+CN(C(=O)c1cnc2n(c1=O)CCS2)C1CCCCC1,0,0.0,
+CN(C(=O)c1cnccn1)c1nnc(-c2cccnc2)s1,0,0.0,
+CN(C(=O)c1cnccn1)c1nnc(-c2cnccn2)s1,0,0.0,
+CN(C(=O)c1coc(=O)c2ccccc12)c1ccc(F)cc1,0,0.0,
+CN(C)/C=C(\C#N)c1nc2ccccc2[nH]1,0,0.0,
+CN(C)/C=C/C(=O)c1nnn(C2CCCCC2)c1NC1CCCCC1,0,0.0,
+CN(C)/C=C/c1c(C#N)c(=O)ncn1Cc1ccccc1,0,0.0,
+CN(C)/C=C1/C(=O)Nc2ccccc21,0,0.0,
+CN(C)/C=C1/Nc2ccccc2C1=O,0,0.0,
+CN(C)/C=C1/Sc2ccccc2C1=O,0,0.0,
+CN(C)/C=C1\C(=O)c2ccc(N(C)C)nc2CC1c1ccccc1,0,0.0,
+CN(C)/C=C1\C=C(c2ccccc2)OC1=O,0,0.0,
+CN(C)/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O,0,0.0,
+CN(C)/C=C1\N=C(c2ccc3c(c2)OCO3)OC1=O,0,0.0,
+CN(C)/C=C1\N=C(c2cccs2)OC1=O,0,0.0,
+CN(C)/C=N/c1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1,0,0.0,
+CN(C)/C=N/c1c(C#N)cnn1-c1ccc(C(F)(F)F)cn1,0,0.0,
+CN(C)/C=N/c1c(C#N)cnn1-c1ccccc1,0,0.0,
+CN(C)/C=N/c1c(C#N)cnn1-c1nc2ccccc2s1,0,0.0,
+CN(C)/C=N/c1c(C#N)cnn1-c1ncnc2sc(-c3ccccc3)cc12,0,0.0,
+CN(C)/C=N/c1c(C#N)nnn1Cc1ccccc1,0,0.0,
+CN(C)/C=N/c1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1,0,0.0,
+CN(C)/C=N/c1cnc(C(=O)c2ccc(Cl)cc2)n1C,0,0.0,
+CN(C)/C=N/c1nc2ccc3c(c2s1)CCCC3,0,0.0,
+CN(C)/C=N/c1ncnc2c1cnn2-c1ccc(C(F)(F)F)cn1,0,0.0,
+CN(C)/C=N/c1sc2c(c1C#N)CCC2,0,0.0,
+CN(C)/C=N/c1sccc1C(N)=O,0,0.0,
+CN(C)/C=c1\sc2c(C#N)cc(C(=O)c3ccc(Br)cc3)n2c1=O,0,0.0,
+CN(C)C(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CN(C)C(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C,0,0.0,
+CN(C)C(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1,0,0.0,
+CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(C)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O,0,0.0,
+CN(C)C(=O)CN1C(=O)C2CC=C(Cl)CC2C1=O,0,0.0,
+CN(C)C(=O)CN1C(=O)C2CCCCN2C(=O)c2ccccc21,0,0.0,
+CN(C)C(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1,0,0.0,
+CN(C)C(=O)COc1ccc2ccc(=O)oc2c1,0,0.0,
+CN(C)C(=O)COn1c(SCC(=O)N(C)C)nc2ccccc2c1=O,0,0.0,
+CN(C)C(=O)CSc1cccc2cccnc12,0,0.0,
+CN(C)C(=O)CSc1nc(SCC(=O)N(C)C)n(-c2ccccc2)n1,0,0.0,
+CN(C)C(=O)CSc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CN(C)C(=O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1,1,100.0,0.0
+CN(C)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1,0,0.0,
+CN(C)C(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1,0,0.0,
+CN(C)C(=O)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1,0,0.0,
+CN(C)C(=O)CSc1nnc(CCN)o1,0,0.0,
+CN(C)C(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1,0,0.0,
+CN(C)C(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1,0,0.0,
+CN(C)C(=O)CSc1nnc([C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1,0,0.0,
+CN(C)C(=O)CSc1nnc2sc3ccccc3n12,0,0.0,
+CN(C)C(=O)Cn1c(=O)n(C)c2ccccc21,0,0.0,
+CN(C)C(=O)Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc21,0,0.0,
+CN(C)C(=O)Cn1c(SCC(=O)NC2CCCCC2)nc2ccccc21,0,0.0,
+CN(C)C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O,0,0.0,
+CN(C)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O,0,0.0,
+CN(C)C(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1,0,0.0,
+CN(C)C(=O)N1CCC(C(=O)NCC2CCCO2)CC1,0,0.0,
+CN(C)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1,0,0.0,
+CN(C)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1,0,0.0,
+CN(C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1,0,0.0,
+CN(C)C(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1,0,0.0,
+CN(C)C(=O)N1CCC(C(=O)NCc2cccs2)CC1,0,0.0,
+CN(C)C(=O)N1CCCC(C(=O)NCc2ccc(F)cc2Cl)C1,0,0.0,
+CN(C)C(=O)N1CCCC(C(=O)NCc2ccccc2)C1,0,0.0,
+CN(C)C(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1,0,0.0,
+CN(C)C(=O)N1CCCC(C(=O)NCc2cccs2)C1,0,0.0,
+CN(C)C(=O)N1CCN(C(=O)N(C)C)CC1,0,0.0,
+CN(C)C(=O)N1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1,0,0.0,
+CN(C)C(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+CN(C)C(=O)NC1CCCCCCCCCCC1,0,0.0,
+CN(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CN(C)C(=O)Nc1cccc(OC(=O)N(C)C)c1,0,0.0,
+CN(C)C(=O)Nc1cnc2ccccc2c1,0,0.0,
+CN(C)C(=O)Oc1ccc(-c2nnco2)cc1,0,0.0,
+CN(C)C(=O)Oc1ccc(Cl)c2ccccc12,0,0.0,
+CN(C)C(=O)Oc1ccc(OC(=O)N(C)C)cc1,0,0.0,
+CN(C)C(=O)Oc1ccc(OC(=O)c2ccccc2)cc1,0,0.0,
+CN(C)C(=O)Oc1ccc[n+](C)c1,0,0.0,
+CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1,0,0.0,
+CN(C)C(=O)c1c(-c2ccccc2)oc2ccc(O)cc12,0,0.0,
+CN(C)C(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1N1CCCC1,0,0.0,
+CN(C)C(=O)c1ccc(COc2ccccc2Br)o1,0,0.0,
+CN(C)C(=O)c1ccc(NC(=O)c2cccnc2)cc1,0,0.0,
+CN(C)C(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1,0,0.0,
+CN(C)C(=O)c1ccc(Oc2ccc(C(=O)N(C)C)cc2)cc1,0,0.0,
+CN(C)C(=O)c1ccccc1-c1ccccc1,0,0.0,
+CN(C)C(=O)c1nc(C#N)c(N(C)C)o1,0,0.0,
+CN(C)C(=O)c1nnc(Cc2ccc(Cl)cc2)o1,0,0.0,
+CN(C)C(=S)c1ccc2ccccc2n1,0,0.0,
+CN(C)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1,0,0.0,
+CN(C)C(CN1C(=O)C2CC=CCC2C1=O)c1cn(C)c2ccccc12,0,0.0,
+CN(C)C(CNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccco1,1,100.0,0.0
+CN(C)C(CNC(=O)CCCc1c[nH]c2ccccc12)c1ccco1,0,0.0,
+CN(C)C(CNC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)c1ccco1,0,0.0,
+CN(C)C(CNC(=O)CSc1nnc(-c2ccco2)o1)c1ccccc1,0,0.0,
+CN(C)C(CNC(=O)NC1CCCCC1)c1cccnc1,0,0.0,
+CN(C)C(CNC(=O)Nc1cccc(Cl)c1)c1cccnc1,0,0.0,
+CN(C)C(CNC(=O)c1cccc(S(=O)(=O)N2CC3(C)CC2CC(C)(C)C3)c1)c1ccco1,1,100.0,1.0
+CN(C)C(CNC(=O)c1cccnc1Sc1ccccc1)c1ccco1,0,0.0,
+CN(C)C(CNC(=O)c1cccs1)c1cccnc1,0,0.0,
+CN(C)C(CNS(=O)(=O)c1ccc(Br)cc1)c1cccnc1,0,0.0,
+CN(C)C(CNc1nnnn1-c1ccccc1)c1ccco1,1,100.0,0.0
+CN(C)C/C(Cl)=C(\Cl)c1ccccc1,0,0.0,
+CN(C)C1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1,0,0.0,
+CN(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1,0,0.0,
+CN(C)C1=C(C#N)C(c2ccccc2)=NP(N(C)C)(N(C)C)=N1,0,0.0,
+CN(C)C1=NC(N(C)C)=NP(N(C)C)(N(C)C)=N1,0,0.0,
+CN(C)C1=NP(N(C)C)(N(C)C)=NC(c2ccccc2)=N1,0,0.0,
+CN(C)C1NC(=O)c2cc(-c3ccccc3)sc2N1,0,0.0,
+CN(C)C=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O,0,0.0,
+CN(C)C=C1C(=O)c2ccccc2C1=O,0,0.0,
+CN(C)C=NC(=O)/C(C#N)=C1\CCc2ccccc2N1,0,0.0,
+CN(C)C=NCCn1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CN(C)C=Nc1c(Br)cc(Br)c2nonc12,0,0.0,
+CN(C)C=Nc1ccc2nn(-c3ccccc3)nc2c1,0,0.0,
+CN(C)C=Nc1ncc2c([nH]c3ccccc32)c1C#N,0,0.0,
+CN(C)C=Nc1ncc2c3ccccc3n(CCN(C)C)c2c1C#N,0,0.0,
+CN(C)C=Nc1ncc2c3ccccc3n(Cc3ccccc3)c2c1C#N,0,0.0,
+CN(C)C=Nc1nonc1-c1ncn[nH]1,0,0.0,
+CN(C)C=Nc1nonc1N,0,0.0,
+COCCn1c(SCc2nc3sc(C(=O)OC)c(C)c3c(=O)[nH]2)nc2ccccc21,0,0.0,
+COc1ccc(-n2c(=S)[nH]c3cc(C(=O)NCc4ccco4)ccc3c2=O)cc1OC,0,0.0,
+COc1ccccc1CNC(=O)COC(=O)c1ccc(NC(N)=O)cc1,0,0.0,
+Cc1cc(-c2ccco2)c(C#N)c2nc3ccccc3n12,0,0.0,
+Cn1c(N)c(C(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)c(=O)n(C)c1=O,0,0.0,
+N#Cc1ccccc1OCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2,0,0.0,
+O=C(OCC(=O)N1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+CN(C)CC#CCOCCOCCC#N,0,0.0,
+CN(C)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3ccc(N)cc3)cc21,0,0.0,
+CN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl,0,0.0,
+CN(C)CC(=O)c1ccc(-c2ccccc2)cc1,0,0.0,
+CN(C)CC(C(=O)c1ccccc1)c1ccccc1,0,0.0,
+CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccccc2O)CC1,0,0.0,
+CN(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(C)CC(O)COc1cc2ccccc2cc1C(=O)N1CCCCC1,0,0.0,
+CN(C)CC(O)COc1ccc(-c2ccc(C#N)cc2)cc1,0,0.0,
+CN(C)CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CN(C)C)cc2)cc1,0,0.0,
+CN(C)CC(O)COc1cccc(OCC(O)CN(C)C)c1,0,0.0,
+CN(C)CC1(c2ccccc2)CCCC1,0,0.0,
+CN(C)CCC(=O)c1ccc(Cl)cc1,0,0.0,
+CN(C)CCC(=O)c1ccc2c(c1)OCO2,0,0.0,
+CN(C)CCC(c1ccc(Br)cc1)c1ccccn1,0,0.0,
+CN(C)CCC=C1c2ccccc2CCc2ccccc21,1,100.0,1.0
+CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,0,0.0,
+CN(C)CCCCCNCCCNC(=O)/C=N\O,0,0.0,
+CN(C)CCCN(C(=O)c1cccs1)c1nc(-c2ccccc2)cs1,1,100.0,
+CN(C)CCCN(CCCNC(=O)/C=N/O)Cc1ccccc1,0,0.0,
+CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)C1c1cccnc1,0,0.0,
+CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)C1c1ccncc1,0,0.0,
+CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)C1c1ccccn1,0,0.0,
+CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)C1c1ccco1,0,0.0,
+CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCO3)C1c1ccccn1,0,0.0,
+CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCO3)C1c1cccnc1,0,0.0,
+CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCO3)C1c1ccco1,0,0.0,
+CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccn1,0,0.0,
+CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)C1c1cccc(Br)c1,0,0.0,
+CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)C1c1ccccc1,0,0.0,
+CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)C1c1cccnc1,0,0.0,
+CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccc1,0,0.0,
+CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccn1,0,0.0,
+CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccn1,0,0.0,
+CN(C)CCCN1C(=O)CSC1c1ccccc1,0,0.0,
+CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccnc1,0,0.0,
+CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1cccnc1,0,0.0,
+CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccs1,0,0.0,
+CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,1,100.0,1.0
+CN(C)CCCN1c2ccccc2CCc2ccccc21,1,100.0,1.0
+CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,1,100.0,1.0
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,1,100.0,
+CN(C)CCCN1c2ccccc2Sc2ccccc21,1,100.0,1.0
+CN(C)CCCNC(=O)C1CCNCC1,0,0.0,
+CN(C)CCCNC(=O)CC(c1ccc(F)cc1)c1ccco1,0,0.0,
+CN(C)CCCNC(=O)CC(c1ccccc1)c1ccccc1O,0,0.0,
+CN(C)CCCNC(=O)CCC1CCCCC1,0,0.0,
+CN(C)CCCNC(=O)Cc1ccc(Br)cc1,0,0.0,
+CN(C)CCCNC(=O)c1ccc(-c2ccccc2)cc1,0,0.0,
+CN(C)CCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1,0,0.0,
+CN(C)CCCNC(=O)c1ccc2[nH]c3ccccc3c2c1,0,0.0,
+CN(C)CCCNC(CC(=O)Nc1ccc(Cl)cc1)C(=O)O,0,0.0,
+CN(C)CCCNCCCCNC(=O)/C=N/O,0,0.0,
+CN(C)CCCNCCCNC(=O)c1ccccn1,0,0.0,
+CN(C)CCCNCCCNC(=O)c1ccco1,0,0.0,
+CN(C)CCCNCCCNC(=O)c1ccncc1,0,0.0,
+CN(C)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl,0,0.0,
+CN(C)CCCNc1c2c(c(C#N)c3nc4ccccc4n13)CCC2,1,100.0,
+CN(C)CCCNc1cc(Cl)c(S(=O)(=O)N2CCCCC2)cc1C(=O)O,0,0.0,
+CN(C)CCCNc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+CN(C)CCCNc1oc(-c2ccc(Cl)cc2)nc1C#N,0,0.0,
+CN(C)CCCNc1oc(-c2cccc(Cl)c2)nc1C#N,0,0.0,
+CN(C)CCCNc1oc(-c2ccccc2)nc1C#N,0,0.0,
+CN(C)CCCOC(=O)C1c2ccccc2Oc2ccccc21,1,100.0,1.0
+CN(C)CCCOC(=O)CCc1ccccc1,0,0.0,
+CN(C)CCCOC(=O)Cc1ccc(Cl)cc1,1,100.0,0.0
+CN(C)CCCOC(=O)c1cc2ccccc2o1,0,0.0,
+CN(C)CCCOC(=O)c1ccc(Br)cc1,0,0.0,
+CN(C)CCCOC(=O)c1ccc(Cl)cc1,0,0.0,
+CN(C)CCCOC(=O)c1ccc(Cl)cc1Cl,0,0.0,
+CN(C)CCCn1c(N)c(C#N)c2nc(C#N)c(C#N)nc21,0,0.0,
+CN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc21,0,0.0,
+CN(C)CCN(C)Cc1ccc2c(c1)Cc1ccccc1-2,0,0.0,
+CN(C)CCN(Cc1ccccc1)c1ccccn1,0,0.0,
+CN(C)CCN(Cc1ccccc1)c1ccnc(N(C)C)c1C#N,0,0.0,
+CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)C1c1ccccc1,0,0.0,
+CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)C1c1ccccc1F,0,0.0,
+CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)C1c1ccncc1,0,0.0,
+CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1c1ccccc1,0,0.0,
+CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccc1F,0,0.0,
+CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccc(N(C)C)cc1,0,0.0,
+CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1F,0,0.0,
+CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccc(Br)c1,0,0.0,
+CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(F)cc1,0,0.0,
+CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(Br)c1,0,0.0,
+CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1,0,0.0,
+CN(C)CCN1CC(C(=O)O)CC1=O,0,0.0,
+CN(C)CCN=Cc1c(O)n(-c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O,0,0.0,
+CN(C)CCN=Cc1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O,0,0.0,
+CN(C)CCN=Cc1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O,0,0.0,
+CN(C)CCN=Cc1c(O)n(CCC2=CCCCC2)c(=O)[nH]c1=O,0,0.0,
+CN(C)CCNC(=O)C(C(=O)c1ccc(F)cc1)n1ccccc1=O,0,0.0,
+CN(C)CCNC(=O)C(C(=O)c1ccccc1)n1ccccc1=O,0,0.0,
+CN(C)CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2,0,0.0,
+CN(C)CCNC(=O)COc1cccc(Cl)c1,0,0.0,
+CN(C)CCNC(=O)Cc1c(C(=O)O)n(C)c2ccccc12,0,0.0,
+CN(C)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O,0,0.0,
+CN(C)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,0,0.0,
+CN(C)CCNC(=O)Cn1nc(C(F)F)cc1C1CC1,0,0.0,
+CN(C)CCNC(=O)NC1CCCCC1,0,0.0,
+CN(C)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2,0,0.0,
+CN(C)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,0,0.0,
+CN(C)CCNC(=O)c1cc2cc(Br)ccc2oc1=O,0,0.0,
+CN(C)CCNC(=O)c1cc2ccccc2oc1=O,0,0.0,
+CN(C)CCNC(=O)c1ccc(COCC(F)(F)F)cc1,0,0.0,
+CN(C)CCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1,0,0.0,
+CN(C)CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,0,0.0,
+CN(C)CCNC(=O)c1ccc(Cl)s1,0,0.0,
+CN(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2,0,0.0,
+CN(C)CCNC(=O)c1ccccc1-c1ccccc1,0,0.0,
+CN(C)CCNC(=O)c1coc(=O)c(Br)c1,0,0.0,
+CN(C)CCNC(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O,0,0.0,
+CN(C)CCNS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(C)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2,1,100.0,1.0
+CN(C)CCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2,0,0.0,
+CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccc(Cl)cc1,0,0.0,
+CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccc(Cl)cc1Cl,0,0.0,
+CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+CN(C)CCNc1ncnc2c1cnn2-c1ccc(Cl)cc1,0,0.0,
+CN(C)CCNc1ncnc2ccccc12,0,0.0,
+CN(C)CCNc1oc(-c2ccccc2F)nc1C#N,0,0.0,
+CN(C)CCNc1oc(COc2ccc(-c3ccccc3)cc2)nc1C#N,0,0.0,
+CN(C)CCNc1oc(COc2ccc(Cl)cc2)nc1C#N,0,0.0,
+CN(C)CCNc1oc(COc2cccc(Cl)c2)nc1C#N,0,0.0,
+CN(C)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,1,100.0,1.0
+CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1,1,100.0,1.0
+CN(C)CCOC(=O)C1(c2ccccc2)CCOCC1,1,100.0,1.0
+CN(C)CCOC(=O)CCc1ccccc1,0,0.0,
+CN(C)CCOC(=O)Cc1ccc(Cl)cc1,0,0.0,
+CN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12,0,0.0,
+CN(C)CCOC(C)(c1ccccc1)c1ccccn1,0,0.0,
+CN(C)CCOC(c1ccccc1)c1ccccc1,1,100.0,1.0
+CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C(=O)O)c1=O,0,0.0,
+CN(C)CCOCCP(=O)(c1ccccc1)c1ccccc1,0,0.0,
+CN(C)CCOc1ccccc1Cc1ccccc1,1,100.0,
+CN(C)CCSc1nc(N)c2c3c(sc2n1)CN(C)CC3,1,100.0,1.0
+CN(C)CCSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3,0,0.0,
+CN(C)CCSc1nnc(-c2ccccc2)o1,0,0.0,
+CN(C)CCSc1nnc2sc3ccccc3n12,0,0.0,
+CN(C)CCc1nc2ccccc2c(=O)n1-c1ccccc1,1,100.0,0.0
+CN(C)CCc1nn[nH]n1,0,0.0,
+CN(C)CCn1c(C(=O)Nc2ccccc2)cc2ccccc21,0,0.0,
+CN(C)CCn1c(C(=O)O)cc2ccccc21,0,0.0,
+CN(C)CP(=O)(Nc1ccccc1)N(C)C,0,0.0,
+CN(C)CP(=O)(O)CN(C)C=O,0,0.0,
+CN(C)Cc1c(C#N)c2ccccc2n1C,0,0.0,
+CN(C)Cc1c(O)ccc2[nH]cnc12,0,0.0,
+CN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12,0,0.0,
+CN(C)Cc1c(O)ccc2occ(C(=O)c3ccccc3)c12,0,0.0,
+CN(C)Cc1c(O)ccc2occ(C(O)c3ccccc3)c12,0,0.0,
+CN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0,0.0,
+CN(C)Cc1cc(C(C)(C)c2cc(CN(C)C)c(O)c(CN(C)C)c2)cc(CN(C)C)c1O,0,0.0,
+CN(C)Cc1ccc(O)c(CCc2ccccc2)n1,0,0.0,
+CN(C)Cc1ccc(OC(=O)N(C)C)c(Cl)c1,0,0.0,
+CN(C)Cc1cn(CCC(=O)O)c2ccccc12,0,0.0,
+CN(C)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,0,0.0,
+CN(C)Cc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2,0,0.0,
+CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(-c2cc3ccccc3o2)cs1,0,0.0,
+CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(C(C)(C)C)cs1,0,0.0,
+CN(C)P(=NC(=O)COc1ccc(Cl)cc1Cl)(N(C)C)N(C)C,0,0.0,
+CN(C)P(=NC(=S)c1cccn1C)(N(C)C)N(C)C,0,0.0,
+CN(C)P(=O)(C(=Nc1ccccc1)N1CCCC1)N1CCCC1,0,0.0,
+CN(C)P(=O)(C(Cl)=C(N1CCCCC1)N1CCCCC1)N(C)C,0,0.0,
+CN(C)P1(N(C)C)=NC(C(F)(F)F)=NC(C(F)(F)F)=N1,0,0.0,
+CN(C)P1(N(C)C)=NC(c2ccccc2)=c2c(N)nn(C)c2=N1,0,0.0,
+CN(C)S(=O)(=O)CC12CCC(CC1=O)C2(C)C,0,0.0,
+CN(C)S(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1,0,0.0,
+CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccccc1,0,0.0,
+CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1,0,0.0,
+CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccccc1,0,0.0,
+CN(C)S(=O)(=O)N(CCN1CCOCC1)Cc1ccccc1F,0,0.0,
+CN(C)S(=O)(=O)N(Cc1ccc(Br)cc1)c1ccccc1,1,100.0,0.0
+CN(C)S(=O)(=O)N1CCC(C(=O)O)(c2ccccc2)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCC(CCCC2CCN(S(=O)(=O)N(C)C)CC2)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCC(c2ccc(F)cc2)C(COc2ccc3c(c2)OCO3)C1,0,0.0,
+CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)N(C)C)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCN(C(=O)N2CCCCC2)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCN(C(=O)c2ccccc2Cl)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCN(CC(O)COc2ccc(C(=O)c3ccccc3)cc2)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCN(CC(O)COc2ccc3cc(Br)ccc3c2)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+CN(C)S(=O)(=O)N1CCc2ccccc21,0,0.0,
+CN(C)S(=O)(=O)N1CCc2ccccc2C1,0,0.0,
+CN(C)S(=O)(=O)NC(c1ccccc1)c1ccccc1,0,0.0,
+CN(C)S(=O)(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CN(C)S(=O)(=O)Nc1ccc(Br)cc1F,0,0.0,
+CN(C)S(=O)(=O)Nc1ccc(C(=O)O)cc1,0,0.0,
+CN(C)S(=O)(=O)Nc1ccc(NS(=O)(=O)N(C)C)c(S(=O)(=O)c2ccccc2)c1,0,0.0,
+CN(C)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+CN(C)S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2,0,0.0,
+CN(C)S(=O)(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+CN(C)S(=O)(=O)Nc1ccccc1C(N)=O,0,0.0,
+CN(C)S(=O)(=O)c1cc(C(=O)NCC2CCCO2)c(Cl)cc1Cl,0,0.0,
+CN(C)S(=O)(=O)c1cc(C(=O)NCCCn2ccc3ccccc32)ccc1Cl,0,0.0,
+CN(C)S(=O)(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1N,0,0.0,
+CN(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCCCC3)C2c2cccnc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2ccco2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC2c2nc3ccccc3s2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccs2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC(F)(F)C(F)F)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)OCCCN=C2NS(=O)(=O)c3ccccc32)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc(C#N)cc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cc(=O)[nH]c3ccccc23)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccccc2N2CCOCC2)c1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(Cl)c1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(N2CCOCC2)nc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N(C)C)cc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)CC2CCCO2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1,0,0.0,
+CN(C)S(=O)(=O)c1ccc2c(c1)C(CC(=O)O)NC2=O,0,0.0,
+CN(C)S(=O)(=O)c1ccc2c(c1)C(CC(=O)O)OC2=O,0,0.0,
+CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccccn3)CC1)cn2C,0,0.0,
+CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCOCC1)cn2C,0,0.0,
+CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCCN1CCCCCC1)cn2C,0,0.0,
+CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1CCCCC1)n2C,0,0.0,
+CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1,0,0.0,
+CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)NCC(F)(F)F)nc2c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(-c2cn3ccccc3n2)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(Cl)cc4c3OCOC4)n2N)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc4c(c3)OCCO4)o2)c1,1,100.0,0.0
+CN(C)S(=O)(=O)c1cccc(C(=O)C2=C3SC=C(c4ccccc4)N3CC2)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1,1,100.0,
+CN(C)S(=O)(=O)c1cccc(C(=O)NCC2CCCO2)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1,1,100.0,0.0
+CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1,1,100.0,
+CN(C)S(=O)(=O)c1cccc(COC(=O)C2=COCCO2)c1,0,0.0,
+CN(C)S(=O)(=O)c1cccc(CSc2cccc[n+]2[O-])c1,1,100.0,0.0
+CN(C)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CN(C)S(=O)(=O)c1ccccc1C#N,0,0.0,
+CN(C)S(=O)(=O)n1cc[n+](C)c1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0,0.0,
+CN(C)S(=O)(=O)n1cnc(-c2ccccc2)c1-c1ccccc1,0,0.0,
+CN(C)S(=O)(=O)n1cnc2ccccc21,0,0.0,
+CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12,1,100.0,0.0
+CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@](C)(O)C3C[C@@H]12,0,0.0,
+CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,0,0.0,
+CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12,0,0.0,
+CN(C)c1[nH]c(=O)c(C#N)c2c1CCN2Cc1ccccc1,0,0.0,
+CN(C)c1cc(-c2ccccc2)nc(N)n1,0,0.0,
+CN(C)c1cc(N)c2c(n1)CCC2.O=C(O)c1cncc(O)c1,0,0.0,
+CN(C)c1cc(N)c2ccccc2n1,0,0.0,
+CN(C)c1cc(NC(=O)CN2CCOCC2)c2ccccc2n1,0,0.0,
+CN(C)c1cc(O)c(C(=S)Nc2ccccc2)c(N(C)C)c1,0,0.0,
+CN(C)c1cc[n+](Cc2ccccc2)cc1,0,0.0,
+CN(C)c1ccc(-c2ccccc2)nn1,0,0.0,
+CN(C)c1ccc(-c2ccncc2)cc1,0,0.0,
+CN(C)c1ccc(-c2nc3ccccc3n2C)cc1,0,0.0,
+CN(C)c1ccc(-c2nc3n(n2)C(c2cccnc2)C2=C(CC(C)(C)CC2=O)N3)cc1,0,0.0,
+CN(C)c1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1,0,0.0,
+CN(C)c1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1,0,0.0,
+CN(C)c1ccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)cc1,1,100.0,0.0
+CN(C)c1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1,0,0.0,
+CN(C)c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1,0,0.0,
+CN(C)c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1,0,0.0,
+CN(C)c1ccc(-c2nnc(-c3ccc(S(=O)(=O)C(F)F)cc3)o2)cc1,0,0.0,
+CN(C)c1ccc(-c2nnn(CC(=O)N3c4ccccc4CCc4ccccc43)n2)cc1,0,0.0,
+CN(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1,0,0.0,
+CN(C)c1ccc(-c2nnn(Cc3ccccc3Br)n2)cc1,0,0.0,
+CN(C)c1ccc(-c2noc(-c3ccccc3O)n2)cc1,0,0.0,
+CN(C)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C(=O)O)cc4)CC3)n2)cc1,0,0.0,
+CN(C)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)n2)cc1,0,0.0,
+CN(C)c1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1,0,0.0,
+CN(C)c1ccc(/C(=N\O)C(F)(F)F)cc1,0,0.0,
+CN(C)c1ccc(/C(=N\O)c2ccccc2)cc1,0,0.0,
+CN(C)c1ccc(/C=C/C(O)=C2/C(=O)N(C)C3(C)CC2c2ccccc2O3)cc1,0,0.0,
+CN(C)c1ccc(/C=C/c2cc[n+]([O-])cc2)cc1,0,0.0,
+CN(C)c1ccc(/C=C/c2ccncc2)cc1,0,0.0,
+CN(C)c1ccc(/C=N/n2ncc3ccccc32)cc1,0,0.0,
+CN(C)c1ccc(/C=[N+](\[O-])C(C)(C)/C=N/O)cc1,0,0.0,
+CN(C)c1ccc(/C=[N+](\[O-])C2SC(=S)N(C)C2(C)C)cc1,0,0.0,
+CN(C)c1ccc(/C=c2\sc3n(c2=O)CCCN=3)cc1,0,0.0,
+CN(C)c1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1,0,0.0,
+CN(C)c1ccc(C(=O)C(O)c2ccc(C(C)(C)C)cc2)cc1,0,0.0,
+CN(C)c1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1,0,0.0,
+CN(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)cc1,0,0.0,
+CN(C)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1,0,0.0,
+CN(C)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1,0,0.0,
+CN(C)c1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1,0,0.0,
+CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,0,0.0,
+CN(C)c1ccc(C(=O)OCC(=O)c2cccs2)cc1,0,0.0,
+CN(C)c1ccc(C(=O)c2ccc(N(C)C)c(N)c2)cc1N,0,0.0,
+CN(C)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,0,0.0,
+CN(C)c1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+CN(C)c1ccc(C(=S)N2CCOCC2)cc1,0,0.0,
+CN(C)c1ccc(C(=S)N2CCOCC2)cc1Br,0,0.0,
+CN(C)c1ccc(C(=S)NCc2ccco2)cc1,0,0.0,
+CN(C)c1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1,0,0.0,
+CN(C)c1ccc(C(CC(=O)O)NC(=O)c2ccc(Cl)cc2)cc1,0,0.0,
+CN(C)c1ccc(C(c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+CN(C)c1ccc(C(c2nnnn2C(C)(C)C)N2CCc3ccccc3C2)cc1,0,0.0,
+CN(C)c1ccc(C(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1,0,0.0,
+CN(C)c1ccc(C2=NOC(CN3C(=O)c4ccccc4S3(=O)=O)C2)cc1,0,0.0,
+CN(C)c1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1,1,100.0,1.0
+CN(C)c1ccc(C2C3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)C3ON2c2ccccc2)cc1,1,100.0,1.0
+CN(C)c1ccc(C2C3C(=O)NC(=O)C3ON2c2ccc(Cl)cc2)cc1,0,0.0,
+CN(C)c1ccc(C2C=C(c3ccc(Cl)cc3OC(F)F)Nc3ncnn32)cc1,0,0.0,
+CN(C)c1ccc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1,0,0.0,
+CN(C)c1ccc(C2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccccc2)cc1,0,0.0,
+CN(C)c1ccc(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)cc1,0,0.0,
+CN(C)c1ccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc1,0,0.0,
+CN(C)c1ccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)cc1,0,0.0,
+CN(C)c1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1,0,0.0,
+CN(C)c1ccc(C2NCCS2)cc1,0,0.0,
+CN(C)c1ccc(C2OC(=O)C3(CCCC3)C(=O)C2(C)C)cc1,0,0.0,
+CN(C)c1ccc(C=NCC2(O)CCOC(C)(C)C2)cc1,0,0.0,
+CN(C)c1ccc(C=NCCC2(O)CCOC(C)(C)C2)cc1,0,0.0,
+CN(C)c1ccc(C=Nc2ccc(N(C)C)cc2)cc1,0,0.0,
+CN(C)c1ccc(C=Nc2ccccc2C(N)=O)cc1,0,0.0,
+CN(C)c1ccc(C=Nc2cnn(C)c2C(N)=O)cc1,0,0.0,
+CN(C)c1ccc(CN(C(=O)C2COc3ccccc3O2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CN(C)c1ccc(CN(C(=O)COc2ccc(Br)cc2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CN(C)c1ccc(CN(C(=O)COc2ccc(F)cc2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CN(C)c1ccc(CN(C(=O)COc2ccccc2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CN(C)c1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+CN(C)c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1,1,100.0,1.0
+CN(C)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1,0,0.0,
+CN(C)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1,0,0.0,
+CN(C)c1ccc(CNC23CN4CN(CN(C4)C2)C3)cc1,0,0.0,
+CN(C)c1ccc(CNC2CC(C)(C)NC(C)(C)C2)cc1,0,0.0,
+CN(C)c1ccc(CNCCC2(O)CCOC(C)(C)C2)cc1,0,0.0,
+CN(C)c1ccc(CNn2cnnc2)cc1,0,0.0,
+CN(C)c1ccc(CNn2cnnc2SCc2ccc(F)cc2)cc1,0,0.0,
+CN(C)c1ccc(CNn2cnnc2SCc2ccccc2F)cc1,0,0.0,
+CN(C)c1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1,0,0.0,
+CN(C)c1ccc(N/C=C/C(=O)c2ccccc2)cc1,0,0.0,
+CN(C)c1ccc(N=Cc2c(O)n(CCC3=CCCCC3)c(=O)[nH]c2=O)cc1,0,0.0,
+CN(C)c1ccc(N=Cc2ccco2)cc1,0,0.0,
+CN(C)c1ccc(N=Cc2nc(-c3ccccc3)oc2O)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)CC2NCCNC2=O)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)CCCc2ccccc2)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1,1,100.0,0.0
+CN(C)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)CSCc2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)Nc2ccc3snnc3c2)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)C4C5C=CC(C5)C4C3=O)c2)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1,0,0.0,
+CN(C)c1ccc(NC(=O)c2ccncc2)c2ccccc12,0,0.0,
+CN(C)c1ccc(NC(=O)c2sc(SCC(=O)Nc3nccs3)nc2N)cc1,0,0.0,
+CN(C)c1ccc(NC(=S)c2ccccn2)cc1,0,0.0,
+CN(C)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1,0,0.0,
+CN(C)c1ccc(O)c2c1CC1CC3[C@@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@]3(O)C(=O)C1=C2O,0,0.0,
+CN(C)c1ccc(P(=O)(OC2CCCCC2)C(O)c2cccnc2)cc1,0,0.0,
+CN(C)c1ccc(P(=O)(OCc2ccccc2)C(O)c2cccnc2)cc1,0,0.0,
+CN(C)c1ccc(P(=O)(OCc2ccccc2)C(O)c2ccncc2)cc1,0,0.0,
+CN(C)c1ccc(P(=S)(N(C)C)N(C)C)cc1,0,0.0,
+CN(C)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1,0,0.0,
+CN(C)c1ccc2c(O)cc(=O)n(C)c2c1,0,0.0,
+CN(C)c1ccc2c(c1)N=C(c1ccco1)OP2(=S)N1CCOCC1,0,0.0,
+CN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(F)c1,1,100.0,
+CN(C)c1ccc2nonc2c1N,0,0.0,
+CN(C)c1cccc(-c2nnc(SCCCC#N)o2)c1,0,0.0,
+CN(C)c1cccc(C(=O)NC2CCCCCC2)c1,0,0.0,
+CN(C)c1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1,0,0.0,
+CN(C)c1cccc(C(=O)NCC2CCCO2)c1,0,0.0,
+CN(C)c1cccc(C(=O)Nc2cccc(F)c2)c1,0,0.0,
+CN(C)c1cccc(C(=O)OCC(=O)NCC2CCCO2)c1,0,0.0,
+CN(C)c1cccc(C(=O)OCC(=O)NCc2ccco2)c1,0,0.0,
+CN(C)c1cccc(C(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)c1,0,0.0,
+CN(C)c1cccc(N=C2C=C(N3CCOCC3)CC(C)(C)C2)c1,0,0.0,
+CN(C)c1cccc(NC(=O)CCc2ccccc2)c1,0,0.0,
+CN(C)c1cccc(NC(=O)Cc2ccc(F)cc2)c1,0,0.0,
+CN(C)c1cccc2c(S(=O)(=O)N3CCOCC3)cccc12,0,0.0,
+CN(C)c1cccc2c(S(=O)(=O)Nc3ccccn3)cccc12,0,0.0,
+CN(C)c1ccccc1C(=O)c1ccccc1N(C)C,0,0.0,
+CN(C)c1ccnc(NCc2ccccc2)c1C#N,0,0.0,
+CN(C)c1ccnc(SCc2ccccc2Cl)c1C#N,0,0.0,
+CN(C)c1ccnc2sc(C(=O)NCc3ccccc3)c(N)c12,0,0.0,
+CN(C)c1ccnc2sc3c(=O)n(-c4ccccc4)cnc3c12,0,0.0,
+CN(C)c1ccnc2sc3c(=O)n(Cc4ccccc4)cnc3c12,0,0.0,
+CN(C)c1nc(-c2ccccc2)[n+](C)s1.[O-][Cl+3]([O-])([O-])[O-],0,0.0,
+CN(C)c1nc(-c2ccccc2)c2cnn(Cc3ccccc3)c2n1,0,0.0,
+CN(C)c1nc(C(=O)Nc2ccccc2)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(C(=O)OCCO)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(N(C)C)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(N)nc(-c2cccnc2)n1,0,0.0,
+CN(C)c1nc(N)nc(-c2ccco2)n1,0,0.0,
+CN(C)c1nc(N)nc(-c2nc3ccccc3s2)n1,0,0.0,
+CN(C)c1nc(N)nc(/C(C#N)=C/C2CC3C=CC2C3)n1,0,0.0,
+CN(C)c1nc(N)nc(CSc2n[nH]c(-c3ccccc3)n2)n1,0,0.0,
+CN(C)c1nc(N)nc(CSc2nc3cc(Cl)ccc3o2)n1,0,0.0,
+CN(C)c1nc(N)nc(CSc2ncc(Cl)cc2Cl)n1,0,0.0,
+CN(C)c1nc(N)nc(CSc2nnnn2-c2cccc3ccccc23)n1,0,0.0,
+CN(C)c1nc(N)nc(CSc2nnnn2C)n1,0,0.0,
+CN(C)c1nc(N)nc(Cn2ccnc2)n1,0,0.0,
+CN(C)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1,0,0.0,
+CN(C)c1nc(N)nc(Nc2ccccc2C#N)n1,0,0.0,
+CN(C)c1nc(N2CCCCC2)nc(N2CCCCC2)n1,0,0.0,
+CN(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1,0,0.0,
+CN(C)c1nc(NCc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1,0,0.0,
+CN(C)c1nc(NS(=O)(=O)c2ccc(Cl)cc2)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(Nc2ccc(Cl)cc2)nc(OCC#N)n1,0,0.0,
+CN(C)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1,0,0.0,
+CN(C)c1nc(OCC(=O)NC(C)(C)C)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1,0,0.0,
+CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N2CCOCC2)n1,0,0.0,
+CN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(OCCOC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(OCCOC(=O)Nc2ccc(Cl)cc2Cl)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(OCCOC(=O)c2ccccc2)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(Oc2ccc(/C=N/O)cc2)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCCCC2)n1,0,0.0,
+CN(C)c1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1,0,0.0,
+CN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1,0,0.0,
+CN(C)c1nc(Oc2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(Oc2ccc(N)cc2)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(SCC#N)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(SCCOC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(SCCOC(=O)Nc2ccccc2)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc(SCCOC(=O)c2ccccc2)nc(N(C)C)n1,0,0.0,
+CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1,0,0.0,
+CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Br,1,100.0,0.0
+CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1cccs1,0,0.0,
+CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1,0,0.0,
+CN(C)c1nc2ccc(OCCN3CCCCC3)cc2s1,1,100.0,1.0
+CN(C)c1nc2ccccc2c(N)c1-c1ccccc1,0,0.0,
+CN(C)c1nc2n(c(=O)n1)C(C#N)CS2,1,100.0,
+CN(C)c1nc2n(c(=O)n1)CCO2,0,0.0,
+CN(C)c1nc2n(c(=S)n1)CCS2,0,0.0,
+CN(C)c1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3,0,0.0,
+CN(C)c1ncc(C(=O)O)cn1,0,0.0,
+CN(C)c1nccc(Nc2ccccc2)c1C#N,0,0.0,
+CN(C)c1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N,0,0.0,
+CN(C)c1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N,0,0.0,
+CN(C)c1oc(-c2ccccc2Cl)nc1C#N,0,0.0,
+CN(C)c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1,0,0.0,
+CN(C)c1oc(-c2ccccc2F)nc1C#N,0,0.0,
+CN(C)c1oc(-c2ccco2)nc1C#N,0,0.0,
+CN(C)c1oc(-c2cccs2)nc1C#N,0,0.0,
+CN(C)c1oc(COc2ccc(F)cc2)nc1C#N,0,0.0,
+CN(C)c1oc(COc2ccccc2F)nc1C#N,0,0.0,
+CN(C/C(O)=C(\C#N)c1ccccc1)C1CCCCC1,0,0.0,
+CN(C1=NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)c1ccc(O)cc1,0,0.0,
+CN(C1CCCCC1)S(=O)(=O)Cc1ccccc1,0,0.0,
+CN(C1CCCCC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1,1,100.0,0.0
+CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1,0,0.0,
+CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1,0,0.0,
+CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1,0,0.0,
+CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,0,0.0,
+CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1,0,0.0,
+CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,1,100.0,1.0
+CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,0,0.0,
+CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCCN1CCCC1)cn2C,0,0.0,
+CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCN1CCCC1)cn2C,0,0.0,
+CN(C1CCCCC1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1,0,0.0,
+CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1,0,0.0,
+CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CN(C1CCS(=O)(=O)C1)[S+]([O-])C12CC3CC(CC(C3)C1)C2,0,0.0,
+CN(C=C1C(=O)CC(C)(C)CC1=O)CCN1CCNCC1,0,0.0,
+CN(C=O)CP(=O)(O)CCN1CCCC1=O,0,0.0,
+CN(C=O)CP(=O)(O)CN(C)C=O,0,0.0,
+CN(CC(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CN(CC(=O)N1CC=C(c2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0.0,
+CN(CC(=O)N1CC=C(c2ccccc2)CC1)S(=O)(=O)c1cnc[nH]1,0,0.0,
+CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1cnc[nH]1,0,0.0,
+CN(CC(=O)N1CCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl,0,0.0,
+CN(CC(=O)N1CCCCC1)S(=O)(=O)c1cccc2cccnc12,0,0.0,
+CN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(Br)s1,0,0.0,
+CN(CC(=O)N1CCCCCC1)S(=O)(=O)c1cccc2cccnc12,0,0.0,
+CN(CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)Cc1ccccc1,1,100.0,1.0
+CN(CC(=O)N1CCN(C2CCCCC2)CC1)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cnc[nH]1,0,0.0,
+CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Br)cc1,0,0.0,
+CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc2ccccc2c1,0,0.0,
+CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Br)s1,0,0.0,
+CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccc2cccnc12,0,0.0,
+CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1,0,0.0,
+CN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0.0,
+CN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Br)s1,0,0.0,
+CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc2cccnc12,0,0.0,
+CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cccc2cccnc12,0,0.0,
+CN(CC(=O)NC1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0.0,
+CN(CC(=O)NCC1CCCO1)S(=O)(=O)c1cc(Cl)ccc1Cl,0,0.0,
+CN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2,0,0.0,
+CN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0.0,
+CN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(Br)cc1,0,0.0,
+CN(CC(=O)NCCN1CCCCCC1)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CN(CC(=O)NCCN1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1cccs1,0,0.0,
+CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Br)s1,0,0.0,
+CN(CC(=O)NCc1cccc(F)c1)C(=O)c1ccco1,0,0.0,
+CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,0,0.0,
+CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccc2cccnc12,0,0.0,
+CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc2cccnc12,0,0.0,
+CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)cc1,0,0.0,
+CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1cc(Cl)ccc1C#N,0,0.0,
+CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccc2cccnc12,0,0.0,
+CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccc2nsnc12,0,0.0,
+CN(CC(=O)Nc1ccc(F)c(F)c1F)c1cnccn1,0,0.0,
+CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Br)s1,0,0.0,
+CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc2cccnc12,0,0.0,
+CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CNC(=O)c1ccc(Br)o1,0,0.0,
+CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1cc(Cl)ccc1Cl,0,0.0,
+CN(CC(=O)Nc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(CC(=O)Nc1ccncc1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CN(CC(=O)Nc1sccc1C#N)C1CCCCC1,0,0.0,
+CN(CC(=O)Nn1cnnc1)S(=O)(=O)c1cc(Cl)ccc1Cl,0,0.0,
+CN(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl,0,0.0,
+CN(CC(=O)O)S(=O)(=O)c1cccs1,0,0.0,
+CN(CC(CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(CC(O)COCc1cccs1)C1CCCCC1,0,0.0,
+CN(CC(O)COc1ccc(OCC(O)CN(C)C2CCCCC2)cc1)C1CCCCC1,0,0.0,
+CN(CC1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1,0,0.0,
+CN(CC1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1,0,0.0,
+CN(CC1COc2ccccc2O1)c1nc(-c2cccnc2)nc2ccccc12,1,100.0,0.0
+CN(CCC#N)C(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,1,100.0,0.0
+CN(CCC#N)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12,0,0.0,
+CN(CCC#N)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O,0,0.0,
+CN(CCC#N)C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+CN(CCC#N)CC(=O)Nc1ccc(NC(=O)CN(C)CCC#N)cc1,1,100.0,0.0
+CN(CCC#N)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0.0,
+CN(CCC#N)c1ncnc2scc(-c3ccccc3)c12,0,0.0,
+CN(CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1,0,0.0,
+CN(CCCC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(CCCC(=O)Nc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(CCCC(=O)Nc1nccs1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(CCCCCC(=O)/C=N/O)Cc1ccccc1,0,0.0,
+CN(CCCCCNC(=O)/C=N/O)Cc1ccccc1,0,0.0,
+CN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(F)cc1)c1ccccc1,0,0.0,
+CN(CCCNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1,0,0.0,
+CN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)Cc1ccccc1,0,0.0,
+CN(CCCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)Cc1ccccc1,0,0.0,
+CN(CCCNC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21)C1CCCCC1,0,0.0,
+CN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)Cc1ccccc1,0,0.0,
+CN(CCCNC(=O)Cn1cc2c(n1)CCCC2)C1CCCCC1,0,0.0,
+CN(CCCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1,0,0.0,
+CN(CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O)c1ccccc1,0,0.0,
+CN(CCCn1c(=S)[nH]c2ncccc2c1=O)Cc1ccccc1,1,100.0,0.0
+CN(CCNC(=O)C1(O)c2ccccc2NC(=O)N1c1ccccc1)Cc1ccccc1,0,0.0,
+CN(CCNC(=O)C1CC(=O)N(C2CCCC2)C1)Cc1ccccc1,0,0.0,
+CN(CCNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1,0,0.0,
+CN(CCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)CCc1ccccc1,0,0.0,
+CN(CCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)Cc1ccccc1,0,0.0,
+CN(CCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O)Cc1ccccc1,0,0.0,
+CN(CCNC(=O)CN1CCN(Cc2ccccc2Cl)C1=O)Cc1ccccc1,0,0.0,
+CN(CCNC(=O)Cn1c(=O)sc2ccccc21)Cc1ccccc1,0,0.0,
+CN(CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C)Cc1ccccc1,1,100.0,0.0
+CN(CCNC(=O)c1ccc(/C=N/O)nc1)Cc1ccccc1,0,0.0,
+CN(CCNC(=O)c1ccc(N2CCCC2=O)cc1)CCc1ccccc1,0,0.0,
+CN(CCNC(=O)c1cccc(N2CCCC2=O)c1)Cc1ccccc1,0,0.0,
+CN(CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O)CCc1ccccc1,0,0.0,
+CN(CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)Cc1ccccc1,0,0.0,
+CN(CCO)C(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,0,0.0,
+CN(CCO)C(=O)c1cccc2c1-c1ccccc1C2=O,0,0.0,
+CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CN(CCO)c1ncnc2nc[nH]c12,1,100.0,
+CN(CCOC(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1,0,0.0,
+CN(CCOC(=O)c1cccc(Br)c1)C(C)(C)C,0,0.0,
+CN(CCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1,0,0.0,
+CN(CCc1ccccn1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+CN(CCc1ccccn1)C(=O)Nc1ccc(F)cc1,0,0.0,
+CN(CCc1ccccn1)C(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl,0,0.0,
+CN(CCc1ccccn1)Cc1ccc(Cl)cc1,0,0.0,
+CN(CCc1ccccn1)Cc1ccc(Cl)cc1Cl,0,0.0,
+CN(CCc1ccccn1)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CN(CCc1ccccn1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,0,0.0,
+CN(CCc1ccccn1)S(=O)(=O)c1ccccc1F,0,0.0,
+CN(CCc1ccccn1)c1ncnc2[nH]ncc12,0,0.0,
+CN(CP(=O)(O)C(O)c1ccccc1)S(C)(=O)=O,0,0.0,
+CN(CP(=O)(O)CCc1ccccc1)S(C)(=O)=O,0,0.0,
+CN(CP(=O)(O)CN(C)S(C)(=O)=O)S(C)(=O)=O,0,0.0,
+CN(Cc1c(F)cccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cn1,0,0.0,
+CN(Cc1c(F)cccc1Cl)c1nnnn1-c1ccccc1,0,0.0,
+CN(Cc1c(O)ccc2c1oc(=O)c1ccccc12)C1CCCCC1,0,0.0,
+CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1,0,0.0,
+CN(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1,0,0.0,
+CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cnn2c1NC(c1ccco1)CC2C(F)(F)F,0,0.0,
+CN(Cc1ccc(O)cc1)C1CCCCC1,0,0.0,
+CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc2nccnc2c1,0,0.0,
+CN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1,0,0.0,
+CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1,0,0.0,
+CN(Cc1ccccc1)C(=O)CCC(=O)N(C)Cc1ccccc1,0,0.0,
+CN(Cc1ccccc1)C(=O)CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O,0,0.0,
+CN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+CN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,0,0.0,
+CN(Cc1ccccc1)C(=O)CCn1c(=O)oc2ccccc21,0,0.0,
+CN(Cc1ccccc1)C(=O)CN(C1CCCCC1)S(C)(=O)=O,0,0.0,
+CN(Cc1ccccc1)C(=O)CNC(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+CN(Cc1ccccc1)C(=O)COC(=O)c1ccc2c(c1)OCO2,0,0.0,
+CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1,0,0.0,
+CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1,0,0.0,
+CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,0,0.0,
+CN(Cc1ccccc1)C(=O)Nc1ccccc1,0,0.0,
+CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)on1,0,0.0,
+CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2,0,0.0,
+CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccco1,0,0.0,
+CN(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+CN(Cc1ccccc1)C1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O,0,0.0,
+CN(Cc1ccccc1)Cc1c(F)cccc1F,0,0.0,
+CN(Cc1ccccc1)Cc1c[nH]c2ccccc12,0,0.0,
+CN(Cc1ccccc1)Cc1ccccc1F,0,0.0,
+CN(Cc1ccccc1)Cc1ccccc1OC(=O)N(C)C,0,0.0,
+CN(Cc1ccccc1)Cc1nc2c([nH]1)c(=O)[nH]c(=O)n2C,0,0.0,
+CN(Cc1ccccc1)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,0,0.0,
+CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,0,0.0,
+CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1,1,100.0,0.0
+CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl,0,0.0,
+CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1,0,0.0,
+CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,0,0.0,
+CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1,0,0.0,
+CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCC3CCCO3)c(=O)c2c1,0,0.0,
+CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C,0,0.0,
+CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C,0,0.0,
+CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCCSc1ncccn1,0,0.0,
+CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1,0,0.0,
+CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCSc1nc2ccccc2[nH]1,0,0.0,
+CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1,0,0.0,
+CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl,0,0.0,
+CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCSc1ncccn1,0,0.0,
+CN(Cc1ccccc1)c1ncnc2c1cnn2-c1ccccc1,0,0.0,
+CN(Cc1ccccc1)c1ncnc2ccc(Br)cc12,0,0.0,
+CN(Cc1ccccc1)c1nnc(N)s1,0,0.0,
+CN(Cc1ccccc1)c1oc(-c2ccco2)nc1C#N,0,0.0,
+CN(Cc1ccccc1)c1oc(COc2ccccc2F)nc1C#N,0,0.0,
+CN(Cc1ccco1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,0,0.0,
+CN(Cc1ccco1)C(=O)C1CCC(=O)N1Cc1ccc(F)cc1,0,0.0,
+CN(Cc1ccco1)C(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)ccc21,0,0.0,
+CN(Cc1ccco1)C(=O)c1ccc(N2CCCC2=O)cc1,0,0.0,
+CN(Cc1cccs1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CN(Cc1cccs1)C(=O)COc1ccc(-c2nnco2)cc1,0,0.0,
+CN(Cc1cccs1)C(=O)COc1cccc(-n2cnnn2)c1,0,0.0,
+CN(Cc1cccs1)CC(O)COCc1ccco1,0,0.0,
+CN(Cc1cccs1)S(=O)(=O)c1cccs1,0,0.0,
+CN(Cc1cccs1)c1ncnc2sccc12,0,0.0,
+CN(Cc1ccncc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O,0,0.0,
+CN(Cc1cnn(C)c1)C(=O)c1cc2ccccc2oc1=O,0,0.0,
+CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccc(Br)cc1,0,0.0,
+CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc(Br)cc1,0,0.0,
+CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc2ccccc2c1,0,0.0,
+CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccc(Br)cc1,0,0.0,
+CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(Cc1nc2ccccc2c(=O)[nH]1)CC(O)COCc1ccco1,0,0.0,
+CN(Cc1nc2ccccc2n1C)C(=O)c1cccs1,0,0.0,
+CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CN(Cc1nc2ccccc2n1C)S(C)(=O)=O,0,0.0,
+CN(Cc1nnc(SCC(=O)NCCc2ccccc2)n1C)S(=O)(=O)c1ccccc1,0,0.0,
+CN(c1cc(=O)n2ccccc2n1)C1CCCCC1,0,0.0,
+CN(c1ccc(C(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)N2CCc3ccccc3C2)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(c1ccc(C(=O)NCC2CCCO2)cc1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(c1ccc(C(=O)NCCC2=CCCCC2)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)NCCSC(C)(C)C)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)NCCSCc2ccco2)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)NCc2ccccc2)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)NCc2cccnc2)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)NCc2ccco2)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)NCc2ccncc2)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)Nc2cccnc2)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccc(C(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CN(c1ccc(Cl)cc1)c1cc(=O)n(C)c2ccccc12,0,0.0,
+CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1,0,0.0,
+CN(c1ccc(O)cc1)c1nc(-c2ccccc2)cs1,0,0.0,
+CN(c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1cccs1,0,0.0,
+CN(c1ccc(OCc2nnc(-c3ccccc3)o2)cc1)S(=O)(=O)c1ccccc1,0,0.0,
+CN(c1cccc(NC(=O)CCSc2ccccc2)c1)S(C)(=O)=O,0,0.0,
+CN(c1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1)S(C)(=O)=O,0,0.0,
+CN(c1cccc(NC(=O)COc2ccccc2)c1)S(C)(=O)=O,0,0.0,
+CN(c1cccc(NC(=O)Cc2ccccc2)c1)S(C)(=O)=O,0,0.0,
+CN(c1cccc(NC(=O)Nc2cccc(Cl)c2)c1)S(C)(=O)=O,0,0.0,
+CN(c1cccc(NS(=O)(=O)c2cccs2)c1)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1)C(c1ccc(F)cc1)c1nnnn1C1CCCC1,0,0.0,
+CN(c1ccccc1)C(c1ccc(F)cc1)c1nnnn1CC1CCCO1,0,0.0,
+CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccn3)CC2)ccc1Cl,0,0.0,
+CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)c2nccn2C)ccc1Cl,0,0.0,
+CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1,0,0.0,
+CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1,0,0.0,
+CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1,0,0.0,
+CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1,0,0.0,
+CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1,0,0.0,
+CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1nccs1,0,0.0,
+CN(c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,0,0.0,
+CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1,0,0.0,
+CN(c1ccccc1)c1nc(-n2ccnc2)nc(-n2ccnc2)n1,0,0.0,
+CN(c1ccccc1)c1nc(N2CCCC2)nc(-n2ccnc2)n1,0,0.0,
+CN(c1ccccc1)c1nc2ccsc2c(=O)s1,0,0.0,
+CN(c1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(=O)N1CCc2ccccc2C1)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(=O)NCC1CCCO1)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(=O)NCc1ccccn1)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(=O)Nc1cccnc1)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,0,0.0,
+CN(c1ccccc1C(=O)O)S(C)(=O)=O,0,0.0,
+CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccccc1,0,0.0,
+CN(c1nc(-c2ccccc2)cs1)C1CCS(=O)(=O)C1,0,0.0,
+CN(c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccccc1)C1CCCCC1,0,0.0,
+CN(c1nc2ccccc2n2c(-c3ccco3)nnc12)S(=O)(=O)c1ccccc1,0,0.0,
+CN(c1nnc(N)s1)C1CCCCC1,0,0.0,
+CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1,0,0.0,
+CN/C=C1\C(=O)C(C)(C)Oc2ccc3ccc(=O)oc3c21,0,0.0,
+CN/S(=N/S(=O)(=O)c1ccccc1)c1ccc(C)cc1,0,0.0,
+CN1/C(=C/C(=O)C2CCC2)Sc2ccccc21,0,0.0,
+CN1/C(=C/C(=O)c2nc(S(C)(=O)=O)ncc2Cl)C(C)(C)c2ccccc21,0,0.0,
+CN1/C(=C/C=N/n2cnnc2)C(C)(C)c2ccccc21,0,0.0,
+CN1/C(=C\C(=O)C(F)F)C(C)(C)c2ccccc21,0,0.0,
+CN1/C(=C\C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)C(C)(C)c2ccccc21,0,0.0,
+CN1/C(=C\C(=O)COC(=O)C2COc3ccccc3O2)C(C)(C)c2ccccc21,0,0.0,
+CN1/C(=C\C(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O)C(C)(C)c2ccccc21,0,0.0,
+CN1/C(=C\C(=O)COC(=O)Cn2nnc(-c3ccccc3)n2)C(C)(C)c2ccccc21,0,0.0,
+CN1/C(=C\C(=O)COc2ccc3c(c2)OCO3)C(C)(C)c2ccccc21,0,0.0,
+CN1/C(=C\C(=O)Nc2cccnc2)c2ccccc2CC1(C)C,0,0.0,
+CN1/C(=C\C(=O)c2ccco2)C(C)(C)c2ccccc21,0,0.0,
+CN1/C(=C\C(=O)c2ccco2)c2ccccc2CC1(C)C,1,100.0,0.0
+CN1/C(=C\C(=O)c2cccs2)Sc2ccccc21,1,100.0,0.0
+CN1/C(=C\P(=O)(N(C)C)N(C)C)C(C)(C)c2ccccc21,0,0.0,
+CN1/C(=N\O)c2cccc3cccc1c23,0,0.0,
+CN1C(=C2C(=O)OC(C)(C)OC2=O)Sc2ccccc21,0,0.0,
+CN1C(=O)/C(=C2/C=CC=CN2C)OC1=S,0,0.0,
+CN1C(=O)/C(=C2/C=Cc3ccccc3N2CCCS(=O)(=O)O)SC1=S,0,0.0,
+CN1C(=O)/C(=C2\SC(=S)N(C(CCC(=O)O)C(=O)O)C2=O)c2ccccc21,0,0.0,
+CN1C(=O)/C(=C2\SC(=S)N(CC3CCCO3)C2=O)c2ccccc21,0,0.0,
+CN1C(=O)C(=C2CCCCCC2)SC1=S,0,0.0,
+CN1C(=O)C(C(=O)NC(C)(C)C)C2c3ccccc3OC13CCCCC23,0,0.0,
+CN1C(=O)C(C2(C#N)CCCCC2)C(=O)N(C)C1=O,0,0.0,
+CN1C(=O)C(C2c3ccccc3C(=O)N2Cc2ccccc2)C(=O)N(C)C1=O,0,0.0,
+CN1C(=O)C(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)N(C)C1=O,0,0.0,
+CN1C(=O)C(CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)N(C)C1=O,0,0.0,
+CN1C(=O)C(Cc2c[nH]c3ccccc23)C(=O)N(C)C1=O,0,0.0,
+CN1C(=O)C(Cc2ccc3c(c2)OCO3)C(=O)N(C)C1=O,0,0.0,
+CN1C(=O)C(Cc2cccc3ccccc23)C(=O)N(C)C1=O,0,0.0,
+CN1C(=O)C(Cc2cccs2)C(=O)N(C)C1=O,0,0.0,
+CN1C(=O)C(Cc2ccsc2)C(=O)N(C)C1=O,0,0.0,
+CN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2cc(Br)ccc21,0,0.0,
+CN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2ccccc21,1,100.0,1.0
+CN1C(=O)C(O)(CC(=O)c2ccc(F)cc2)c2cc(Br)ccc21,0,0.0,
+CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCO3)c2ccccc21,0,0.0,
+CN1C(=O)C(O)(CC(=O)c2cccc(-n3cccc3)c2)c2ccccc21,0,0.0,
+CN1C(=O)C(O)(CC(=O)c2ccccc2O)c2cc(Br)ccc21,0,0.0,
+CN1C(=O)C(O)(CC(=O)c2ccccn2)c2cc(Br)ccc21,0,0.0,
+CN1C(=O)C(O)(c2sc(N)nc2-c2ccccc2)c2ccccc21,0,0.0,
+CN1C(=O)C2(C(C#N)=C(N)C(C#N)(C#N)C3=CCCCC32)c2ccccc21,0,0.0,
+CN1C(=O)C2(C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21,0,0.0,
+CN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)c2ccccc21,0,0.0,
+CN1C(=O)C2(N=c3ccccc3=N2)c2ccccc21,0,0.0,
+CN1C(=O)C2(NCCc3c2[nH]c2ccccc32)c2ccccc21,0,0.0,
+CN1C(=O)C2(Nc3ccccc3-c3nc4ccccc4n32)c2ccccc21,0,0.0,
+CN1C(=O)C2(OCC(COc3ccc(Cl)cc3)O2)c2ccccc21,0,0.0,
+CN1C(=O)C2(c3ccccc31)C1CCCC=C1C(C#N)=C(N)C2(C#N)C#N,0,0.0,
+CN1C(=O)C2(c3ccccc31)N(C)CC(c1ccccn1)C21SC(=S)N(Cc2ccco2)C1=O,0,0.0,
+CN1C(=O)C2C=CC1C1C(=O)N(c3ccccc3)C(=O)C21,0,0.0,
+CN1C(=O)C2CN(CCc3ccccc3)CNC2N(C)C1=O,0,0.0,
+CN1C(=O)C2ON(c3ccccc3)C(c3cccs3)C2C1=O,1,100.0,0.0
+CN1C(=O)CC(C(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)OCO2,0,0.0,
+CN1C(=O)CC(C(=O)O)SC1=Nc1cccc(C(F)(F)F)c1,0,0.0,
+CN1C(=O)CC(N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O,0,0.0,
+CN1C(=O)CC(N2CCC(c3nc4ccccc4[nH]3)CC2)C1=O,0,0.0,
+CN1C(=O)CC(N2CCC(c3nc4ccccc4s3)CC2)C1=O,0,0.0,
+CN1C(=O)CC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,0,0.0,
+CN1C(=O)CC(N2CCN(CC(=O)N3CCCC3)CC2)C1=O,0,0.0,
+CN1C(=O)CC(N2CCN(CCN=CC3=C(O)CC(C)(C)CC3=O)CC2)C1=O,0,0.0,
+CN1C(=O)CC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O,0,0.0,
+CN1C(=O)CC(N2CCN(c3ccccn3)CC2)C1=O,0,0.0,
+CN1C(=O)CC(N2CCN(c3ncccn3)CC2)C1=O,0,0.0,
+CN1C(=O)CC(P(=O)(c2ccccc2)c2ccccc2)N(C)C1=O,0,0.0,
+CN1C(=O)CC(c2ccco2)Sc2ccccc21,0,0.0,
+CN1C(=O)CC(n2c(CO)nc3ccccc32)C1=O,0,0.0,
+CN1C(=O)CC2(CC(=O)N(Cc3ccccc3)C2)C1=O,0,0.0,
+CN1C(=O)CCC1(O)c1ccccc1,0,0.0,
+CN1C(=O)CN=C(c2ccc(Cl)cc2)c2cc(Cl)ccc21,0,0.0,
+CN1C(=O)C[S+]([O-])c2ccc(C(=O)NC3CC3)cc21,0,0.0,
+CN1C(=O)C[S+]([O-])c2ccc(C(=O)NCCC3=CCCCC3)cc21,0,0.0,
+CN1C(=O)CSc2ccc(C(=O)O)cc21,0,0.0,
+CN1C(=O)CSc2ccc(NC(=O)N3CCC(N4CCCCC4)CC3)cc21,0,0.0,
+CN1C(=O)CSc2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc21,0,0.0,
+CN1C(=O)CSc2ccc(NC(=O)N3CCOCC3)cc21,0,0.0,
+CN1C(=O)CSc2ccc(NC(=O)N3CCc4ccccc43)cc21,0,0.0,
+CN1C(=O)CSc2ccc(NC(=O)NCCC3=CCCCC3)cc21,0,0.0,
+CN1C(=O)CSc2ccc(NC(=O)NCc3cccnc3)cc21,0,0.0,
+CN1C(=O)CSc2ccc(NC(=O)NCc3ccco3)cc21,0,0.0,
+CN1C(=O)CSc2ccc(NC(=O)Nc3ccccn3)cc21,0,0.0,
+CN1C(=O)Cc2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+CN1C(=O)Cn2c1nc1ccccc12,0,0.0,
+CN1C(=O)N(C)C(=O)C(CCc2ccccn2)(CCc2ccccn2)C1=O,0,0.0,
+CN1C(=O)N(C)C(=O)C(CCc2ccncc2)(Cc2ccc3c(c2)OCO3)C1=O,0,0.0,
+CN1C(=O)N(C)C(=O)C2(Cc3c(ccc4ccccc34)N(C)C2)C1=O,0,0.0,
+CN1C(=O)N(C)C(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCC(Cc4ccccc4)CC32)C1=O,0,0.0,
+CN1C(=O)N(C)C(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4C32)C1=O,0,0.0,
+CN1C(=O)N(C)C(=O)C2(Cc3cc(N)ccc3N3CCN(c4ccccc4F)CC32)C1=O,0,0.0,
+CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CCOCC32)C1=O,0,0.0,
+CN1C(=O)N(C)C(=O)C2(Sc3ccccc3C2=O)C1=O,0,0.0,
+CN1C(=O)N(C)C(NC(=O)Nc2ccccc2)C1NC(=O)Nc1ccccc1,0,0.0,
+CN1C(=O)N(C)C2(CC1(C)C)CC(C)(C)N(C)C(=O)N2C,0,0.0,
+CN1C(=O)N(C)C2(c3ccccc3)N(C)C(=O)NC12c1ccccc1,0,0.0,
+CN1C(=O)N(C)C2(c3ccccc3)NC(=O)NC12c1ccccc1,0,0.0,
+CN1C(=O)N(C)C2(c3ccccc3)Nn3c(s/c(=C/c4ccco4)c3=O)=NC12c1ccccc1,0,0.0,
+CN1C(=O)N(C)C2C1N(CN1CCCCC1)C(=O)N2CN1CCCCC1,0,0.0,
+CN1C(=O)N(C)C2C1NC(=O)N2C,1,100.0,0.0
+CN1C(=O)N(C)C2CC1N(C)C(=O)N2C,0,0.0,
+CN1C(=O)N(CN2CCCCC2)C2C1N(C)C(=O)N2CN1CCCCC1,0,0.0,
+CN1C(=O)N(S(=O)(=O)c2ccc(F)c(F)c2F)C(=O)C1(C)C,0,0.0,
+CN1C(=O)N(c2cccc3ccccc23)C(n2cncn2)C1(C)C,0,0.0,
+CN1C(=O)N(c2ccccc2)C(Nc2nncs2)C1(C)C,0,0.0,
+CN1C(=O)N2CN(C3CCCCC3)CN3C(=O)N(C)C1C23,0,0.0,
+CN1C(=O)NC(NC(=O)C2CCCCC2)(C(F)(F)F)C1=O,0,0.0,
+CN1C(=O)NC(NC(=O)c2ccco2)(C(F)(F)F)C1=O,0,0.0,
+CN1C(=O)NC(NC(=O)c2cccs2)(C(F)(F)F)C1=O,0,0.0,
+CN1C(=O)NC(NC(=O)c2ccncc2)(C(F)(F)F)C1=O,0,0.0,
+CN1C(=O)NC(c2ccc(O)cc2)C(C(=O)c2cccs2)C1(O)C(F)(F)F,1,100.0,0.0
+CN1C(=O)NC(c2cccc(O)c2)C(C(=O)c2cccs2)C1(O)C(F)(F)F,0,0.0,
+CN1C(=O)NC(c2ccccc2)C2=C1CN(Cc1ccccc1)C2=O,0,0.0,
+CN1C(=O)NC(c2ccccc2)C2=C1CN(Cc1ccco1)C2=O,0,0.0,
+CN1C(=O)NC(c2ccccc2)C2=C1CN(c1cccc(C(F)(F)F)c1)C2=O,0,0.0,
+CN1C(=O)NC2C1N(S(C)(=O)=O)CCN2S(C)(=O)=O,0,0.0,
+CN1C(=O)OC(C)(CCc2ccccc2)C1(C)O,0,0.0,
+CN1C(=O)OC2(C)CCc3ccccc3C12C,0,0.0,
+CN1C(=O)SC(Nc2ccccc2C(=O)O)C1=O,0,0.0,
+CN1C(=O)c2c(sc3c2CC(C)(C)SC3)N2CCN=C12,0,0.0,
+CN1C(=O)c2c(sc3c2CCCC3)NC1c1ccccc1O,1,100.0,0.0
+CN1C(=O)c2ccc(C(=O)NC3CCCCC3)cc2C1=O,0,0.0,
+CN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O,0,0.0,
+CN1C(=O)c2ccc(N(C)C)cc2C1=O,0,0.0,
+CN1C(=O)c2ccc(N3CCCC3)cc2C1=O,0,0.0,
+CN1C(=O)c2ccc(NC(=O)C3CCCCC3)cc2C1=O,0,0.0,
+CN1C(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2C1=O,0,0.0,
+CN1C(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)O)cc3)cc2C1=O,0,0.0,
+CN1C(=O)c2cccc(N(C)C)c2C1=O,0,0.0,
+CN1C(=O)c2cccc(NC(=O)C3CCCCC3)c2C1=O,0,0.0,
+CN1C(=O)c2cccc(NC(=O)CCc3ccccc3)c2C1=O,0,0.0,
+CN1C(=O)c2cccc(NC(=O)Cc3ccccc3)c2C1=O,0,0.0,
+CN1C(=O)c2cccc(NCCCN3C(=O)c4ccccc4C3=O)c2C1=O,0,0.0,
+CN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccco4)ccc1c23,0,0.0,
+CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccn4)ccc1c23,0,0.0,
+CN1C(=O)c2ccccc2C(C(=O)NCC2CCCO2)C1c1c[nH]c2ccccc12,0,0.0,
+CN1C(=O)c2ccccc2C(C(=O)NCCCN2CCCC2)C1c1c[nH]c2ccccc12,0,0.0,
+CN1C(=O)c2ccccc2C(C(=O)NCCCN2CCCC2=O)C1c1c[nH]c2ccccc12,0,0.0,
+CN1C(=O)c2ccccc2C(C(=O)NCc2ccco2)C1c1c[nH]c2ccccc12,0,0.0,
+CN1C(=O)c2ccccc2C(C(=O)O)C1c1cccc(F)c1,0,0.0,
+CN1C(=O)c2ccccc2C(C(=O)O)C1c1cn(C)c2ccccc12,0,0.0,
+CN1C(=O)c2ccccc2N(C)C1c1ccc2c(c1)OCO2,0,0.0,
+CN1C(=O)c2ccccc2N(C)C1c1cccs1,0,0.0,
+CN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21,0,0.0,
+CN1C(=O)c2ccccc2Sc2ccc(NC(=O)N3CCCC3)cc21,0,0.0,
+CN1C(=O)c2ccccc2Sc2ccc(NC(=O)NC3CC3)cc21,0,0.0,
+CN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccncc1,0,0.0,
+CN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccn1,0,0.0,
+CN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccncc1,0,0.0,
+CN1C(=S)SC(/[N+]([O-])=C/c2cccnc2)C1(C)C,0,0.0,
+CN1C(=S)SC(/[N+]([O-])=C\c2ccco2)C1(C)C,0,0.0,
+CN1C(=S)SC(/[N+]([O-])=C\c2cccs2)C1(C)C,1,100.0,0.0
+CN1C(=S)SC(C)(C)C1(C)NO,0,0.0,
+CN1C(=S)SC(C)(C)C1/[N+]([O-])=C/c1cccnc1,0,0.0,
+CN1C(=S)SC(C)(C)C1NO,0,0.0,
+CN1C(=S)SC(C)(NO)C1(C)C,0,0.0,
+CN1C(=S)SC(N(O)C(=O)NC2CCCCC2)C1(C)C,0,0.0,
+CN1C(=S)SC(N(O)C(=O)Nc2ccccc2)C1(C)C,0,0.0,
+CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,0,0.0,
+CN1C(C)(C)CC(NC(=O)CCC(=O)NC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C,0,0.0,
+CN1C(c2ccc(F)cc2)=CS/C1=C(\C#N)c1nnc2n1-c1ccccc1SC2,0,0.0,
+CN1C2C=C(N(C(=O)c3ccc(Cl)cc3)c3ccccc3)CC1CC2,0,0.0,
+CN1C2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Cl)cc4)[C@@H]3C1CC2,0,0.0,
+CN1C2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccs4)C3C1CC2,0,0.0,
+CN1C2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccsc4)[C@@H]3C1CC2,0,0.0,
+CN1C2CCC1CC(OC(=O)CCN1CCCC1)C2,0,0.0,
+CN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc13)C2,1,100.0,1.0
+CN1C2CCC1CC(OC(=O)c1ccc(Cl)cc1)C2,1,100.0,1.0
+CN1C=C(C(F)(F)F)C=C/C1=C(\C#N)c1nnc2n1CCCCC2,0,0.0,
+CN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1,1,100.0,
+CN1C=CC2=C(C#N)C(N)C(C#N)(C#N)C(c3ccccc3)C2C1,0,0.0,
+CN1C=CC=C/C1=C(\C#N)c1nc2ccccc2[nH]1,0,0.0,
+CN1C=CC=C/C1=C1\SC(=S)N(C2CCCCC2)C1=O,1,100.0,1.0
+CN1CC(=O)N(C)c2nc(Br)n(C)c2C1=O,0,0.0,
+CN1CC(=O)N(C)c2ncn(Cc3ccccc3)c2C1=O,0,0.0,
+CN1CC(=O)N(CC(=O)NCCc2ccc(F)cc2)c2ccccc2C1=O,0,0.0,
+CN1CC(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2C1=O,0,0.0,
+CN1CC(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O,0,0.0,
+CN1CC(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc2C1=O,0,0.0,
+CN1CC(=O)N(CC(=O)Nc2ccc(N(C)C)cc2)c2ccccc2C1=O,0,0.0,
+CN1CC(=O)N(CCOc2ccccc2)C1=O,0,0.0,
+CN1CC(=O)N/C1=N\C(=O)Nc1ccc2c(c1)N(C)C(=O)CS2,0,0.0,
+CN1CC(=O)NC1=NC(=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+CN1CC(=O)NC1=NC(=O)c1cc(F)c(F)cc1Cl,0,0.0,
+CN1CC(=O)NC1=NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1,0,0.0,
+CN1CC(=O)Nc2ccc(F)cc2C1=O,0,0.0,
+CN1CC2(C(=O)c3ccccc3)CN(C)CC(C(=O)c3ccccc3)(C1)C2,0,0.0,
+CN1CC2(C)CN(C(c3ccccc3)c3ccccc3)CC(C)(C1)C2O,0,0.0,
+CN1CC2(Cc3c1ccc1ccccc31)C(=O)OC(C)(C)OC2=O,0,0.0,
+CN1CC2=Cc3ccccc3OC23Oc2ccccc2C=C3C1,0,0.0,
+CN1CC2CCCC3(C1)C(=O)NC1(CCCCC1)N=C23,0,0.0,
+CN1CC=C(c2c[nH]c3ccccc23)CC1,0,0.0,
+CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1,0,0.0,
+CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(Cc3ccccc3)C2C1,0,0.0,
+CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccc(Cl)c3Cl)C2C1,0,0.0,
+CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccncc3)C2C1,0,0.0,
+CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)C2C1,0,0.0,
+CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,1,100.0,1.0
+CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1,1,100.0,1.0
+CN1CCC(N(C)C(=O)COc2ccccc2-c2ccccc2)CC1,0,0.0,
+CN1CCC(N(C)C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1,0,0.0,
+CN1CCC(N(C)CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1,1,100.0,1.0
+CN1CCC(N(C)c2nc(-c3ccccc3)nc3ccccc23)CC1,0,0.0,
+CN1CCC(N(C)c2ncnc3ccc(Br)cc23)CC1,1,100.0,0.0
+CN1CCC(N2CC3CC(C2)c2cccc(=O)n2C3)CC1,0,0.0,
+CN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1,0,0.0,
+CN1CCC(NC(=O)c2cccs2)CC1,0,0.0,
+CN1CCC(O)(c2ccccc2)C2CCCC21,0,0.0,
+CN1CCC(OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)CC1,0,0.0,
+CN1CCC(OC(=O)C2c3ccccc3Oc3ccccc32)CC1,1,100.0,1.0
+CN1CCC(OC(=O)COc2ccc(C(C)(C)C)cc2)CC1,0,0.0,
+CN1CCC(n2nccc2N)CC1,0,0.0,
+CN1CCC2(CC1)C1CN(C)CC=C1C(C#N)=C(N)C2(C#N)C#N,0,0.0,
+CN1CCC2(CC1)NC(=O)C1=C(CN(C)CC1)N2,0,0.0,
+CN1CCC2(CC1)NC(=O)NC2=O,0,0.0,
+CN1CCC2(CC1)Nc1nc(SCc3ccc(Cl)cc3)nn1C1=C2CN(C)CC1,0,0.0,
+CN1CCCC(C(=O)C(C#N)c2ccccc2)C1,0,0.0,
+CN1CCCC(OC(=O)CCCC(=O)OC2CCCN(C)C2)C1,0,0.0,
+CN1CCCC(OC(=O)CCCCC(=O)OC2CCCN(C)C2)C1,0,0.0,
+CN1CCCC(OC(=O)COc2ccc(Br)cc2)C1,0,0.0,
+CN1CCCC(OC(=O)COc2ccccc2)C1,0,0.0,
+CN1CCCC(OC(=O)c2cc(Br)ccc2Cl)C1,1,100.0,1.0
+CN1CCCC(OC(=O)c2cc(Cl)ccc2Cl)C1,0,0.0,
+CN1CCCC(OC(=O)c2ccc3c(c2)OCCO3)C1,0,0.0,
+CN1CCCC(OC(=O)c2ccccc2Cl)C1,0,0.0,
+CN1CCCCCC1=NC1=C(C#N)CCCC1,0,0.0,
+CN1CCCCCC1=Nc1ccccc1C#N,0,0.0,
+CN1CCCCc2c1[nH]c1ccccc1c2=O,0,0.0,
+CN1CCCCc2c1nc1c(c2N)CCCC1,1,100.0,0.0
+CN1CCCCc2c1nc1ccccc1c2N.O=C(O)c1cncc(Br)c1,0,0.0,
+CN1CCCN(C(=O)Cc2c(Cl)cccc2Cl)c2nc3ccccc3nc21,0,0.0,
+CN1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)c2nc3ccccc3nc21,0,0.0,
+CN1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)CC1,0,0.0,
+CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,1,100.0,1.0
+CN1CCCN(CC(O)COCc2cccs2)CC1,0,0.0,
+CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1,1,100.0,1.0
+CN1CCCc2cc(C#N)c(=O)[nH]c21,0,0.0,
+CN1CCCc2cc3c(C(F)(F)F)cc(=O)oc3nc21,1,100.0,
+CN1CCN(/C(=N\O)c2nonc2N)CC1,0,0.0,
+CN1CCN(/C(=N\S(=O)(=O)c2ccc(F)cc2)c2ccccc2)CC1,0,0.0,
+CN1CCN(/C=C2\SC(=S)NC2=O)CC1,0,0.0,
+CN1CCN(/C=N/c2c(C#N)cnn2C)CC1,0,0.0,
+CN1CCN(/C=N/c2c(C#N)cnn2Cc2ccccc2)CC1,0,0.0,
+CN1CCN(/C=N/c2sc3c(c2C#N)CCCCC3)CC1,0,0.0,
+CN1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1,0,0.0,
+CN1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1,0,0.0,
+CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+CN1CCN(C(=O)C2C3C=CC(C3)C2C(=O)O)CC1,0,0.0,
+CN1CCN(C(=O)C2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1,0,0.0,
+CN1CCN(C(=O)C2CC(c3c(F)cccc3Cl)=NO2)CC1,0,0.0,
+CN1CCN(C(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)CC1,0,0.0,
+CN1CCN(C(=O)C2CCCCC2C(=O)O)CC1,0,0.0,
+CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)CC1,0,0.0,
+CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1,0,0.0,
+CN1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+CN1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1,0,0.0,
+CN1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1,0,0.0,
+CN1CCN(C(=O)CCn2nc(-c3ccccc3)c3ccccc3c2=O)CC1,0,0.0,
+CN1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1,1,100.0,0.0
+CN1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CN1CCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1,0,0.0,
+CN1CCN(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)CC1,0,0.0,
+CN1CCN(C(=O)COc2ccc(C(C)(C)C)cc2Br)CC1,0,0.0,
+CN1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1,0,0.0,
+CN1CCN(C(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)CC1,0,0.0,
+CN1CCN(C(=O)CSc2nc(-c3cccs3)ccc2C#N)CC1,0,0.0,
+CN1CCN(C(=O)CSc2nc(-c3ccncc3)ccc2C#N)CC1,0,0.0,
+CN1CCN(C(=O)Cc2nc3ccccc3[nH]2)CC1,0,0.0,
+CN1CCN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccccc4)ccc32)CC1,0,0.0,
+CN1CCN(C(=O)N2CCNC2=O)CC1,0,0.0,
+CN1CCN(C(=O)N2c3ccccc3C=Cc3ccccc32)CC1,1,100.0,1.0
+CN1CCN(C(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+CN1CCN(C(=O)Nc2cccc3ccccc23)CC1,0,0.0,
+CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,0,0.0,
+CN1CCN(C(=O)c2c(NC(=O)c3ccco3)sc3c2CCC(C(C)(C)C)C3)CC1,0,0.0,
+CN1CCN(C(=O)c2c(O)c3cccc4c3n(c2=O)CC4)CC1,0,0.0,
+CN1CCN(C(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)CC1,0,0.0,
+CN1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1,0,0.0,
+CN1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1,0,0.0,
+CN1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1,0,0.0,
+CN1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1,0,0.0,
+CN1CCN(C(=O)c2cc3c(n(-c4ccccc4)c2=O)CC(C)(C)CC3=O)CC1,0,0.0,
+CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1,0,0.0,
+CN1CCN(C(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)CC1,0,0.0,
+CN1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)CC1,0,0.0,
+CN1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)CC1,0,0.0,
+CN1CCN(C(=O)c2cc3sccc3n2CC(=O)c2ccccc2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc(C3SCC(=O)N3Cc3ccco3)cc2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)CC1,1,100.0,0.0
+CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=S)[nH]c3c2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc3c(=O)n(Cc4ccc(Cl)cc4)c(=S)[nH]c3c2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2[S+]3[O-])CC1,0,0.0,
+CN1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S+]3[O-])CC1,0,0.0,
+CN1CCN(C(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)CC1,0,0.0,
+CN1CCN(C(=O)c2ccc3ccccc3c2)CC1,0,0.0,
+CN1CCN(C(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)CC1,0,0.0,
+CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)O)CC1,0,0.0,
+CN1CCN(C(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1,0,0.0,
+CN1CCN(C(=O)c2ccccc2NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1,0,0.0,
+CN1CCN(C(=O)c2ccccc2NC(=O)Cc2ccccc2)CC1,0,0.0,
+CN1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1,0,0.0,
+CN1CCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)CC1,0,0.0,
+CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)CC1,0,0.0,
+CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccs2)CC1,0,0.0,
+CN1CCN(C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc5c(c4)OCO5)nc23)CC1,0,0.0,
+CN1CCN(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)CC1,0,0.0,
+CN1CCN(C(=O)c2sc(=S)n(-c3ccccc3)c2N)CC1,0,0.0,
+CN1CCN(C(=S)c2ccc(N(C)C)cc2)CC1,0,0.0,
+CN1CCN(C(CNS(=O)(=O)c2ccc(Cl)cc2)c2cccnc2)CC1,0,0.0,
+CN1CCN(C(CNS(=O)(=O)c2ccc(F)cc2)c2cccnc2)CC1,0,0.0,
+CN1CCN(C(c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1,0,0.0,
+CN1CCN(C(c2cccc(C(F)(F)F)c2)c2nnnn2C(C)(C)C)CC1,0,0.0,
+CN1CCN(C(c2cccc(C(F)(F)F)c2)c2nnnn2Cc2ccccc2)CC1,0,0.0,
+CN1CCN(C(c2cccnc2)c2ccc3cccnc3c2O)CC1,0,0.0,
+CN1CCN(C2=C(Cl)C(=O)N(C3CCCCC3)C2=O)CC1,0,0.0,
+CN1CCN(C2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)CC1,1,100.0,1.0
+CN1CCN(C2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)CC1,1,100.0,1.0
+CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1,0,0.0,
+CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)CC1,0,0.0,
+CN1CCN(C2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)CC1,0,0.0,
+CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,1,100.0,0.0
+CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,1,100.0,1.0
+CN1CCN(CC#CC(C)(O)C2CC3C=CC2C3)CC1,0,0.0,
+CN1CCN(CC#CC2(O)CCCCC2)CC1,0,0.0,
+CN1CCN(CC#CCC(O)(c2ccccc2)C2CCCC2)CC1,0,0.0,
+CN1CCN(CC#CCn2c3ccccc3c3ccccc32)CC1,1,100.0,1.0
+CN1CCN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+CN1CCN(CC(=O)N(C)c2nc(-c3ccccc3)cs2)CC1,0,0.0,
+CN1CCN(CC(=O)N(Cc2c(C#N)c3ccccc3n2C)c2ccccc2)CC1,0,0.0,
+CN1CCN(CC(=O)N2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCCC42)CC1,0,0.0,
+CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,1,100.0,1.0
+CN1CCN(CC(=O)N2c3ccccc3C(C)(c3ccccc3)CC2(C)C)CC1,0,0.0,
+CN1CCN(CC(=O)Nc2c(C(=O)C3CC3)oc3ccccc23)CC1,0,0.0,
+CN1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1,0,0.0,
+CN1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1,0,0.0,
+CN1CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1,0,0.0,
+CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCC(C(C)(C)C)C3)CC1,1,100.0,0.0
+CN1CCN(CC(=O)n2c3c(c4ccccc42)CCCC3)CC1,1,100.0,1.0
+CN1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+CN1CCN(CC(O)COCc2ccc3c(c2)OCO3)CC1,0,0.0,
+CN1CCN(CC(O)COc2ccc(OCC(O)CN3CCN(C)CC3)cc2)CC1,0,0.0,
+CN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1,1,100.0,1.0
+CN1CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1,1,100.0,0.0
+CN1CCN(CCC(=O)Nc2cccc(F)c2)CC1,0,0.0,
+CN1CCN(CCC(=O)Nc2ccccc2Cl)CC1,0,0.0,
+CN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1,1,100.0,1.0
+CN1CCN(CCCC(=O)c2ccc(F)cc2)CC1,0,0.0,
+CN1CCN(CCCCC(=O)c2ccccc2)CC1,0,0.0,
+CN1CCN(CCCCOc2ccc(F)cc2)CC1,0,0.0,
+CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,0,0.0,
+CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,0,0.0,
+CN1CCN(CCCNC(=O)C2CC(=O)N(C3CCCCC3)C2)CC1,0,0.0,
+CN1CCN(CCCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1,0,0.0,
+CN1CCN(CCCNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)CC1,0,0.0,
+CN1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1,0,0.0,
+CN1CCN(CCCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1,0,0.0,
+CN1CCN(CCCNC(=O)Nc2cccc3ccccc23)CC1,0,0.0,
+CN1CCN(CCCNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1,0,0.0,
+CN1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)CC1,1,100.0,0.0
+CN1CCN(CCCNC(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1,0,0.0,
+CN1CCN(CCCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)CC1,0,0.0,
+CN1CCN(CCCNC(=O)c2ccc(CSCc3cccc(Cl)c3)o2)CC1,0,0.0,
+CN1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)CC1,0,0.0,
+CN1CCN(CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)CC1,0,0.0,
+CN1CCN(CCCNC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)CC1,0,0.0,
+CN1CCN(CCCNc2nc3ccccc3c3nc(-c4ccccc4)nn23)CC1,0,0.0,
+CN1CCN(CCCn2cnc3c(=O)oc4ccccc4c32)CC1,0,0.0,
+CN1CCN(CCN2CCn3c2nc2ccccc23)CC1,0,0.0,
+CN1CCN(CCNC(=O)Nc2ccccc2C(F)(F)F)CC1,0,0.0,
+CN1CCN(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,0,0.0,
+CN1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1,0,0.0,
+CN1CCN(CCc2nc3cc(NC(=O)COc4ccccc4)ccc3n2C)CC1,0,0.0,
+CN1CCN(CP(=O)(N2CCOCC2)N2CCOCC2)CC1,0,0.0,
+CN1CCN(Cc2c(O)c(Cl)cc3c(-c4ccccc4)cc(=O)oc23)CC1,0,0.0,
+CN1CCN(Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)CC1,0,0.0,
+CN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc23)CC1,0,0.0,
+CN1CCN(Cc2c(O)ccc3c2oc(=O)c2ccccc23)CC1,0,0.0,
+CN1CCN(Cc2c(O)ccc3occ(C(=O)c4ccccc4)c23)CC1,0,0.0,
+CN1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1,0,0.0,
+CN1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1,0,0.0,
+CN1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)CC1,0,0.0,
+CN1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1,0,0.0,
+CN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1,0,0.0,
+CN1CCN(Cc2nc(N)nc(Nc3ccc4c(c3)OCCO4)n2)CC1,1,100.0,
+CN1CCN(Cc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)CC1,0,0.0,
+CN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1,0,0.0,
+CN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1,0,0.0,
+CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1,0,0.0,
+CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1,0,0.0,
+CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,0,0.0,
+CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)CC1,0,0.0,
+CN1CCN(Cc2nc3ccccc3n2C)CC1,0,0.0,
+CN1CCN(P(=O)(c2ccccc2)c2nc3ccccc3s2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(-c3noc(C4CCN(S(C)(=O)=O)CC4)n3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(Cc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(N(C)CC(=O)Nc3ccc(F)cc3)nc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3cccs3)nc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(N)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)nc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1,1,100.0,
+CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1,1,100.0,1.0
+CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3csc4ccccc34)cc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(SCCOc3ccccc3)nc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(Sc3nc4ccccc4[nH]3)c3nsnc23)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc(Sc3nnc(-c4cccs4)n3-c3ccccc3)nc2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2cccc(C(=O)N(c3ccccn3)C3CCCCC3)c2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCCc4ccccc43)c2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CC1,0,0.0,
+CN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)CC1,0,0.0,
+CN1CCN([S+]([O-])C23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1,0,0.0,
+CN1CCN(c2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)CC1,0,0.0,
+CN1CCN(c2c[nH]c(=O)[nH]c2=O)CC1,0,0.0,
+CN1CCN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC1,0,0.0,
+CN1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,0,0.0,
+CN1CCN(c2cc3c(c4c2[nH]c2ccccc24)C(=O)CC(C)(C)C3)CC1,0,0.0,
+CN1CCN(c2ccc(C(=O)c3ccc(F)cc3)cc2)CC1,0,0.0,
+CN1CCN(c2ccc(C(N)=O)cc2N)CC1,0,0.0,
+CN1CCN(c2ccc(Cl)cc2NC(=O)C2COc3ccccc3O2)CC1,0,0.0,
+CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1,0,0.0,
+CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1,0,0.0,
+CN1CCN(c2ccc(Cl)cc2NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1,0,0.0,
+CN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2Cl)CC1,1,100.0,1.0
+CN1CCN(c2ccc(N)c(N3CCN(C)CC3)c2)CC1,0,0.0,
+CN1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1,0,0.0,
+CN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1,1,100.0,1.0
+CN1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,0,0.0,
+CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1,0,0.0,
+CN1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1,1,100.0,1.0
+CN1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,0,0.0,
+CN1CCN(c2ccccc2NC(=O)C(Cc2ccccc2)n2cccc2)CC1,0,0.0,
+CN1CCN(c2ccccc2NC(=O)Cc2cn(C)c3ccccc23)CC1,1,100.0,1.0
+CN1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1,0,0.0,
+CN1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1,0,0.0,
+CN1CCN(c2ccccc2NC(=O)c2ccc(Br)o2)CC1,0,0.0,
+CN1CCN(c2ccccc2NC(=O)c2ccc(OCc3ccccc3)cc2)CC1,1,100.0,1.0
+CN1CCN(c2ccccc2NC(=O)c2cccc(OCc3ccccc3)c2)CC1,0,0.0,
+CN1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1,0,0.0,
+CN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1,0,0.0,
+CN1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1,0,0.0,
+CN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1,0,0.0,
+CN1CCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1,1,100.0,
+CN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1,0,0.0,
+CN1CCN(c2nc(C(N)=O)cc(-c3ccccc3)n2)CC1,0,0.0,
+CN1CCN(c2nc(N3CCN(CCO)CC3)nc3ccccc23)CC1,0,0.0,
+CN1CCN(c2nc(N3CCN(c4ccccc4)CC3)ncc2F)CC1,0,0.0,
+CN1CCN(c2nc(NCCOC34CC5CC(CC(C5)C3)C4)nc(OCC(F)(F)F)n2)CC1,1,100.0,1.0
+CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(N)=O)CC1,0,0.0,
+CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)CC1,0,0.0,
+CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCOc2ccccc2)CC1,0,0.0,
+CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1,0,0.0,
+CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2ncccn2)CC1,0,0.0,
+CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc23)CC1,0,0.0,
+CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)C23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)CC1,0,0.0,
+CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1,0,0.0,
+CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,0,0.0,
+CN1CCN(c2nc3ccccc3c(=O)n2-c2ccccc2)CC1,0,0.0,
+CN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1,0,0.0,
+CN1CCN(c2nc3nonc3nc2N2CCN(C)CC2)CC1,0,0.0,
+CN1CCN(c2nccc3c2ncn3C)CC1,0,0.0,
+CN1CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1,1,100.0,0.0
+CN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1,0,0.0,
+CN1CCN(c2ncnc3c2sc2nc(N4CCCC4)c4c(c23)CC(C)(C)OC4)CC1,0,0.0,
+CN1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCC4)CC1,0,0.0,
+CN1CCN(c2ncnc3ccc(Br)cc23)CC1,0,0.0,
+CN1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CN1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)CC1,0,0.0,
+CN1CCN(c2oc(COc3ccc(-c4ccccc4)cc3)nc2C#N)CC1,0,0.0,
+CN1CCN2c3ccccc3Cc3ccccc3C2C1,0,0.0,
+CN1CCNC(=O)C1CC(=O)O,0,0.0,
+CN1CCOc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21,0,0.0,
+CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13,0,0.0,
+CN1CC[n+]2c(CN3C(=O)c4ccccc4C3=O)csc21,0,0.0,
+CN1CC[n+]2cnc3ccccc3c21,0,0.0,
+CN1CCc2c(C#N)c(N3CCCCC3)nc(N3CCOCC3)c2C1,0,0.0,
+CN1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1,0,0.0,
+CN1CCc2c(c(N3CCCCC3)nc3n[nH]c(N)c23)C1,0,0.0,
+CN1CCc2c(c3c(n2C)CCN(C)[C@@H]3c2cccnc2)[C@H]1c1cccnc1,1,100.0,0.0
+CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1,1,100.0,1.0
+CN1CCc2c(n(CC(O)CN3C(=O)c4ccccc4S3(=O)=O)c3ccccc23)C1=O,0,0.0,
+CN1CCc2c(sc(/N=C/c3ccco3)c2C(N)=O)C1,0,0.0,
+CN1CCc2c(sc(/N=C/c3cccs3)c2C(N)=O)C1,0,0.0,
+CN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(N)=O)C1,0,0.0,
+CN1CCc2c(sc3c2C(=O)NC(/C=C/c2ccco2)N3)C1,0,0.0,
+CN1CCc2c(sc3c2C(=O)NC(c2ccc(-c4cccc(Cl)c4)o2)N3)C1,0,0.0,
+CN1CCc2c(sc3c2C(=O)NC(c2ccc4c(c2)OCO4)N3)C1,0,0.0,
+CN1CCc2c(sc3c2C(=O)NC(c2cccc(OC(=O)c4cccs4)c2)N3)C1,0,0.0,
+CN1CCc2c(sc3c2C(=O)NC(c2ccccn2)N3)C1,0,0.0,
+CN1CCc2c(sc3c2C(=O)NC(c2ccco2)N3)C1,0,0.0,
+CN1CCc2c(sc3c2C(=O)NC(c2cccs2)N3)C1,0,0.0,
+CN1CCc2c(sc3c2C(=O)NC(c2cn(Cc4ccccc4)c4ccccc24)N3)C1,0,0.0,
+CN1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c2nncn32)C1,0,0.0,
+CN1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2nncn32)C1,0,0.0,
+CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccc(Cl)cc4)n32)C1,0,0.0,
+CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccc(F)cc4)n32)C1,0,0.0,
+CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccccc4)n32)C1,0,0.0,
+CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccccc4F)n32)C1,0,0.0,
+CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nncn32)C1,0,0.0,
+CN1CCc2c(sc3nc(SCC(=O)N4CCOCC4)nc(N)c23)C1,0,0.0,
+CN1CCc2c(sc3nc(SCC(N)=O)n(-c4ccccc4)c(=O)c23)C1,0,0.0,
+CN1CCc2c(sc3ncn4nc(-c5ccccc5O)nc4c23)C1,1,100.0,1.0
+CN1CCc2cc3c(c4c2C1CC41CCC(=NO)CC1)OCO3,0,0.0,
+CN1CCc2ccccc2C1C1CCNCC1,0,0.0,
+CN1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)sc2C1,0,0.0,
+CN1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C#N)cc2C1,0,0.0,
+CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2C1,0,0.0,
+CN1CCc2nc(SCC(=O)OC(C)(C)C)c(C#N)cc2C1,0,0.0,
+CN1CCc2nc(SCCOc3ccccc3)c(C#N)cc2C1,0,0.0,
+CN1CCc2nc3sc(C#N)c(N)c3c(-c3cccs3)c2C1,0,0.0,
+CN1CCn2c1nc(N1CCCCC1)nc2=O,0,0.0,
+CN1CCn2c1nc(N1CCOCC1)nc2=O,0,0.0,
+CN1CSC(=S)N(C)C1,0,0.0,
+CN1CSC2=C(C#N)C(c3cccc(OCc4ccccc4)c3)CC(=O)N2C1,0,0.0,
+CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,0,0.0,
+CN1C[N+]([O-])=C(c2ccccc2)C1(C)C,0,0.0,
+CN1Cc2c(N)cccc2C(c2ccccc2)C1,0,0.0,
+CN1Cc2c(N3CCOCC3)nc(SCc3ccccc3)c(C#N)c2CC1(C)C,0,0.0,
+CN1Cc2cc(C(=O)c3cc(Cl)cc(CSc4ncccn4)c3O)cnc2NC1=O,0,0.0,
+CN1Cc2sc(N)c(C#N)c2CC1(C)C,0,0.0,
+CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1,1,100.0,
+CN1[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12,1,100.0,1.0
+CN1[C@@H]2CC[C@H]1CC(OC(=O)C1C=Nc3ccccc31)C2,0,0.0,
+CN1c2cccc3cccc(c23)N(C)C1(C)C,0,0.0,
+CN1c2ccccc2-c2nc3ccccc3n2C1c1ccccn1,0,0.0,
+CN1c2ccccc2-c2nc3ccccc3n2C1c1ccco1,0,0.0,
+CN1c2ccccc2-c2nc3ccccc3n2C1c1ccncc1,0,0.0,
+CN1c2ccccc2C(C)(C)C12C=Cc1cc(O)ccc1O2,0,0.0,
+CN1c2ccccc2C(C)(C)C12CCCC(=O)N2,0,0.0,
+CN1c2ccccc2N(C)C1c1c(O)ccc2ccccc12,0,0.0,
+CN1c2ccccc2N(C)C1c1ccc2c(c1)OCO2,0,0.0,
+CN=C(C)C1=C(O)C(C(=O)OC)C(C)(C)CC1=O,0,0.0,
+CN=C(NC#N)SCC(=O)c1ccc(Cl)cc1Cl,0,0.0,
+CN=C(NC)SC1CC(=O)N(c2ccccc2)C1=O,0,0.0,
+CN=C(NC)SCc1nc2ccsc2c(=O)[nH]1,0,0.0,
+CN=C(Nc1cc(C)nn1-c1ccccc1)c1ccc(F)cc1,0,0.0,
+CN=C(Nc1cc(C)nn1-c1ccccc1)c1ccccc1,0,0.0,
+CN=C(Nc1cc(C)nn1CCC#N)c1ccc(F)cc1,0,0.0,
+CN=C(Nc1cc(C)nn1CCC#N)c1ccccc1,0,0.0,
+CN=C(Nc1cc(C)nn1CCC#N)c1ccccc1F,0,0.0,
+CN=C(Nc1ccc2c(c1)OCO2)SC1CC(=O)N(c2ccccc2)C1=O,0,0.0,
+CN=C(SCc1cc2c(cc1Cl)OCO2)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CN=C(SCc1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CN=C(c1ccco1)n1c(=S)nc(-c2ccco2)n(C)c1=S,0,0.0,
+CN=C1CC(C)(C)CC(=O)/C1=C(/O)CCC(=O)NC,0,0.0,
+CN=C1SC(C(=O)O)CC(=O)N1C,0,0.0,
+CN=C1SC(CC(=O)NCCc2ccc(OC)c(OC)c2)C(=O)N1C,0,0.0,
+CN=C1SC(CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1C,0,0.0,
+CN=C1SC(CC(=O)Nc2ccc(N3CCOCC3)cc2)C(=O)N1C,0,0.0,
+CN=C1SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C,0,0.0,
+CN=C1SC(CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C,0,0.0,
+CN=C1SC(CC(=O)Nc2ccccc2F)C(=O)N1C,0,0.0,
+CN=C1SC(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C(=O)N1C,0,0.0,
+CN=C1SC(CC(=O)Nc2sc3c(c2C#N)CCCC3)C(=O)N1C,0,0.0,
+CN=C1c2c(-c3ccccc3)c3cc(OC)ccc3n2CCN1C,0,0.0,
+CN=C1c2cc3c(Br)c(OC)ccc3n2CCN1C,0,0.0,
+CN=C1c2ccccc2CN1c1cccc(C(=O)OC)c1,0,0.0,
+CN=CC1=C(O)CC(C)(C)CC1=O,0,0.0,
+CN=CC1=C(O)c2ccccc2C1=O,0,0.0,
+CN=Cc1cc(-c2ccccc2)sc1O,0,0.0,
+CN=Cc1sc2ccccc2c1O,0,0.0,
+CN=c1oc2ccc(Cl)cc2cc1C(N)=O,0,0.0,
+CN=c1sc(C(=O)Nc2cccc(Cl)c2)cc(=O)n1C,0,0.0,
+CN=c1sc2ccccc2n1CC(O)COCc1ccco1,0,0.0,
+CN=c1sc2ccccc2n1CC(O)COc1ccccc1,0,0.0,
+CN=c1scc(C)n1/N=C/c1ccc(O)cc1,0,0.0,
+CN=c1scc(C)n1/N=C/c1ccc(O)cc1O,0,0.0,
+CN=c1scc(C)n1/N=C/c1ccc2c(c1)OCO2,0,0.0,
+CNC(=O)/C(=N\O)c1ccccc1,0,0.0,
+CNC(=O)C(Sc1ccccc1)c1ccccc1,0,0.0,
+CNC(=O)C1=NCCCc2cc(OC)c(OC)cc21,0,0.0,
+CNC(=O)C1C2C=CC3(O2)C1C(=O)N(C1CC1)C3C(=O)NCc1ccc(OC)cc1,1,100.0,0.0
+CNC(=O)C1C2C=CC3(O2)C1C(=O)N(CCOC)C3C(=O)NCc1ccc(OC)cc1,0,0.0,
+CNC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)C(=Nc2ccc(F)cc2)S1,0,0.0,
+CNC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)C(=Nc2ccc(OC)cc2)S1,0,0.0,
+CNC(=O)C1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(OC)cc2)S1,0,0.0,
+CNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,0,0.0,
+CNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,0,0.0,
+CNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1,0,0.0,
+CNC(=O)C1CCCN1S(=O)(=O)c1ccc(OC)cc1,0,0.0,
+CNC(=O)CC(C(=O)O)c1ccc(OC(C)C)cc1,0,0.0,
+CNC(=O)CC(C(=O)O)c1ccc(OCC(C)C)cc1,0,0.0,
+CNC(=O)CCC(=O)Nc1ccc(C(=O)OC)cc1,0,0.0,
+CNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1,0,0.0,
+CNC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O,0,0.0,
+CNC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O,0,0.0,
+CNC(=O)CN(C#N)c1nc(N(C)C)nc(N(C)C)n1,0,0.0,
+CNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1,0,0.0,
+CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1,0,0.0,
+CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1,0,0.0,
+CNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O,0,0.0,
+CNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O,0,0.0,
+CNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O,0,0.0,
+CNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O,0,0.0,
+CNC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+CNC(=O)CN1C(=O)CSc2nc(C)cc(C)c21,0,0.0,
+CNC(=O)CN1C(=O)CSc2ncccc21,0,0.0,
+CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O,0,0.0,
+CNC(=O)COC(=O)c1cc(F)c(F)cc1Cl,0,0.0,
+CNC(=O)CSCCn1c(SCC(=O)NC)nc2ccccc2c1=O,0,0.0,
+CNC(=O)CSCc1c(Cl)cccc1Cl,0,0.0,
+CNC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1,0,0.0,
+CNC(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1,0,0.0,
+CNC(=O)CSc1nnc(-c2cc3c(C)nn(-c4ccccc4)c3s2)n1C,0,0.0,
+CNC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1-c1cccc(C)c1C,0,0.0,
+CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1,0,0.0,
+CNC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1,0,0.0,
+CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1OC,0,0.0,
+CNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1,0,0.0,
+CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1CCOC,0,0.0,
+CNC(=O)CSc1nnnn1-c1ccc(C)cc1C,0,0.0,
+CNC(=O)CSc1nnnn1CCCOC,0,0.0,
+CNC(=O)Cn1nc(C)c2ccccc2c1=O,0,0.0,
+CNC(=O)Cn1ncc2c(C)n(Cc3ccc(C)cc3)c(C)c2c1=O,0,0.0,
+CNC(=O)N(C)c1nnc(C(C)(C)C)s1,0,0.0,
+CNC(=O)N(C1=NCC(C)(C)S1)c1ccc(F)c(Cl)c1,0,0.0,
+CNC(=O)N(C1=NCC(C)S1)c1ccc(F)cc1F,0,0.0,
+CNC(=O)N(O)C1N(C)C(=O)N(CC(=O)OC)C1(C)C,0,0.0,
+CNC(=O)N(O)C1N(C)C(=O)N(Cc2ccccc2)C1(C)C,0,0.0,
+CNC(=O)N(c1ccccc1)c1ccccc1,0,0.0,
+CNC(=O)NC(=O)COC(=O)CCCOc1ccc(OC)cc1,0,0.0,
+CNC(=O)NC(=O)CSc1ccc(NC(C)=O)cc1,0,0.0,
+CNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1,0,0.0,
+CNC(=O)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1,0,0.0,
+CNC(=O)NC(=O)CSc1ncc(C(F)(F)F)cc1Cl,0,0.0,
+CNC(=O)NC1CCCCc2sccc21,0,0.0,
+CNC(=O)NC1CCCc2ccccc21,0,0.0,
+CNC(=O)NCC12CC3CC(CC(C3)C1)C2,0,0.0,
+CNC(=O)NCCN1CCCC1=O,0,0.0,
+CNC(=O)Nc1cc(C(C)(C)C)no1,0,0.0,
+CNC(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+CNC(=O)Nc1cccc(NC(=O)NC)n1,0,0.0,
+CNC(=O)Nc1ccccc1C(=O)NCc1ccccc1,0,0.0,
+CNC(=O)Nc1ccccc1NC(=O)NC,0,0.0,
+CNC(=O)OC(C)CNS(=O)(=O)c1ccc(C)cc1,0,0.0,
+CNC(=O)OCc1cccc(COC(=O)NC)n1,0,0.0,
+CNC(=O)ON(C(=O)NC)C1N(C)C(=S)SC1(C)C,0,0.0,
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C,0,0.0,
+CNC(=O)c1[nH]cnc1C(=O)Nc1cccc(OC)c1,0,0.0,
+CNC(=O)c1c(C)nc(SCC(=O)NCc2ccc(OC)cc2)c(C#N)c1-c1ccco1,0,0.0,
+CNC(=O)c1c(N)sc2c1CCCCC2,0,0.0,
+CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCC2,0,0.0,
+CNC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2c1CCC2,0,0.0,
+CNC(=O)c1c(O)c2cccc3c2n(c1=O)CC3,0,0.0,
+CNC(=O)c1c[nH]n2c(=O)c(Cc3ccccc3F)c(C)nc12,0,0.0,
+CNC(=O)c1cc(C)c(-c2ccccc2)s1,0,0.0,
+CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl,0,0.0,
+CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(C(C)C)c1=N,0,0.0,
+CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(Cc2ccco2)c1=N,0,0.0,
+CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=N,0,0.0,
+CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,0,0.0,
+CNC(=O)c1cc2c(ccc3ccccc32)oc1=N,0,0.0,
+CNC(=O)c1cc2c(s1)CCCCCC2,0,0.0,
+CNC(=O)c1cc2cc(Cl)cc(OC)c2oc1=O,0,0.0,
+CNC(=O)c1cc2cc(OC)ccc2n1CCN(C)C,0,0.0,
+CNC(=O)c1cc2cc(OC)ccc2oc1=N,0,0.0,
+CNC(=O)c1cc2ccc(OC)cc2oc1=O,1,100.0,
+CNC(=O)c1cc2cccc(OC)c2oc1=O,0,0.0,
+CNC(=O)c1cc2ccccc2o1,0,0.0,
+CNC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)o1,0,0.0,
+CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1,0,0.0,
+CNC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1,0,0.0,
+CNC(=O)c1ccc(OCc2ccccc2)c(OC)c1,0,0.0,
+CNC(=O)c1ccc(Oc2ccc(C(=O)NC)cc2)cc1,0,0.0,
+CNC(=O)c1ccc2nc(NC(C)=O)sc2c1,0,0.0,
+CNC(=O)c1ccc2snnc2c1,0,0.0,
+CNC(=O)c1cccc(N2CCCC2=O)c1,0,0.0,
+CNC(=O)c1ccccc1-c1ccccc1,0,0.0,
+CNC(=O)c1ccccc1NC(=O)c1c(O)c2c([nH]c1=O)CCCC2,0,0.0,
+CNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+CNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,0,0.0,
+CNC(=O)c1ccsc1NC(=O)CN1C(=O)CCC1=O,0,0.0,
+CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)s1,0,0.0,
+CNC(=O)c1ccsc1NC(=O)c1ccccc1,0,0.0,
+CNC(=O)c1ncnnc1N(C)C(=O)NCc1ccccc1,0,0.0,
+CNC(=O)c1nnc(Cc2ccc(F)cc2)o1,0,0.0,
+CNC(=O)c1nnn(-c2ccccc2)c1C(=O)NC,0,0.0,
+CNC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C(F)(F)F,0,0.0,
+CNC(=O)c1nnn(Cc2ccccc2)c1NC(C)=O,0,0.0,
+CNC(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C,0,0.0,
+CNC(=O)n1ccc(C(=O)N2CCCCC2)n1,0,0.0,
+CNC(C(=O)c1ccccc1)C(OC)c1ccccc1.[O-][Cl+3]([O-])([O-])O,0,0.0,
+CNC.Cc1cccn2c(NCC3CCCO3)c(C(C)C)nc12,0,0.0,
+CNCC(O)c1ccc(O)cc1,0,0.0,
+CNCC(O)c1cccc(OC(=O)c2ccccc2C)c1,0,0.0,
+CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,0,0.0,
+CNCCC=C1c2ccccc2CCc2ccccc21,1,100.0,1.0
+CNCCCC12CCC(c3ccccc31)c1ccccc12,1,100.0,1.0
+CNCCCC1c2ccccc2C=Cc2ccccc21,1,100.0,1.0
+CNCCCN1c2ccccc2CCc2ccccc21,1,100.0,1.0
+CNCCCc1[nH]nc(N)c1C#N,0,0.0,
+CNCCOCC(O)CSc1ccccc1,0,0.0,
+CNCCc1c(C)n[nH]c1C,0,0.0,
+CNCCc1c[nH]c2ccccc12,0,0.0,
+CNCCc1nc(N)n[nH]1,0,0.0,
+CNC[C@H](O)c1cccc(O)c1,0,0.0,
+CNCc1cc2ccc(C)cc2[nH]c1=O,0,0.0,
+CNCc1ccc(OCc2ccccc2)c(OC)c1,0,0.0,
+CNP(=S)(NC)OCCOc1ccc(OC)cc1,0,0.0,
+CNP1(NC)=NC(C(F)(F)F)=NC(C(F)(F)F)=N1,0,0.0,
+CNP1(NC)=Nc2nn(-c3ccccc3)c(N)c2C(c2ccccc2)=N1,0,0.0,
+CNS(=O)(=O)c1cc(O)c2c(S(=O)(=O)NC)cccc2c1,0,0.0,
+CNS(=O)(=O)c1cc(OC)ccc1OC,0,0.0,
+CNS(=O)(=O)c1cc(OCC(N)=O)c(C)cc1Cl,0,0.0,
+CNS(=O)(=O)c1ccc(NC(=O)C(CCSC)NC(N)=O)cc1,0,0.0,
+CNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NC)cc2)cc1,0,0.0,
+CNS(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N(C)C)c1,0,0.0,
+CNS(=O)(=O)c1cccc(C(=O)OC2CCCCC2=O)c1,0,0.0,
+CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1,0,0.0,
+CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1,1,100.0,0.0
+CNS(=O)(=O)c1cccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)c1,0,0.0,
+CNS(=O)(=O)c1cccc2cccnc12,0,0.0,
+CNS(=O)(=O)c1cccc2nsnc12,0,0.0,
+CNc1cc(-n2nc(C)cc2-c2ccccc2)ncn1,0,0.0,
+CNc1cc(C)nc(-n2nc(C)cc2C)n1,0,0.0,
+CNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(O)(C(F)(F)F)C(F)(F)F,0,0.0,
+CNc1ccc(OC(F)F)cc1C(=O)c1ccccc1,0,0.0,
+CNc1ccccc1-c1nc2ccccc2n(C)c1=O,0,0.0,
+CNc1ccccc1-n1ccc(-c2ccccc2)n1,0,0.0,
+CNc1ccccc1C(C)(C)c1cc(-c2ccco2)n[nH]1,0,0.0,
+CNc1cccccc1=S,0,0.0,
+CNc1csc(C)c(C)c1=O,0,0.0,
+CNc1nc(-c2ccc(Cl)cc2)cs1,0,0.0,
+CNc1nc(C)c(C#N)c(-c2ccccc2)c1C(C)=O,0,0.0,
+CNc1nc(C)c(C#N)cc1C(C)=O,0,0.0,
+CNc1nc(C)c(C(=O)OCc2ccccc2)s1,0,0.0,
+CNc1nc(C)nc(-c2ccccc2O)n1,0,0.0,
+CNc1nc(C)nc(-n2nc(C)cc2C)n1,0,0.0,
+CNc1nc(CC(C)=O)ns1,0,0.0,
+CNc1nc(N)c(C(=O)C(C)(C)C)s1,1,100.0,0.0
+CNc1nc(N2CCc3ccccc32)ncc1F,0,0.0,
+CNc1nc(NC)nc(-n2c(C(F)(F)F)nc3ccccc32)n1,0,0.0,
+CNc1nc(Nc2ccc(C(C)=O)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1,0,0.0,
+CNc1nc(OC)nc(N2CCOCC2)n1,0,0.0,
+CNc1nc(Oc2ccccc2C(=O)OC)nc(SC)n1,0,0.0,
+CNc1nc(SC)nc(N2CCOCC2)n1,0,0.0,
+CNc1nc(SCC(=O)OC)nc(N2CCOCC2)n1,0,0.0,
+CNc1nc(SCc2ccccc2)nc(N2CCOCC2)n1,0,0.0,
+CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC,0,0.0,
+CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1,0,0.0,
+CNc1nc2sc3c(c2c(=O)n1C)CC(C)(C)SC3,0,0.0,
+CNc1ncnc2c3cc(OC)ccc3n(C)c12,0,0.0,
+CNc1nn(-c2cccc(Cl)c2)nc1N,0,0.0,
+CNc1nnc(-c2cc3ccccc3oc2=O)s1,0,0.0,
+CNc1nnc(-c2cccc(N(C)C)c2)s1,0,0.0,
+CNc1nnc(CSc2nc(C)cc(C)n2)s1,0,0.0,
+CNc1nnc(CSc2nc3ccccc3s2)s1,0,0.0,
+CNc1oc(-c2ccc(Cl)cc2)nc1C#N,0,0.0,
+CNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N,0,0.0,
+CNc1oc(-c2cccc3ccccc23)nc1C#N,0,0.0,
+CNc1oc(-c2ccccc2)nc1C#N,0,0.0,
+CNc1oc(-c2ccccc2Cl)nc1C#N,0,0.0,
+CNc1oc(-c2ccco2)nc1C#N,0,0.0,
+CNc1oc(-c2cccs2)nc1C#N,0,0.0,
+CNc1oc(C)nc1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CNc1oc(C)nc1S(=O)(=O)c1ccccc1,0,0.0,
+CNc1oc(Cc2cccc3ccccc23)nc1C#N,0,0.0,
+CNc1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CNc1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccccc1,0,0.0,
+CNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1,0,0.0,
+CO/C([O-])=N/c1c[n+](-c2ccc(C)cc2)no1,0,0.0,
+CO/C=C/C#CC1(O)CCN(C)CC1,0,0.0,
+COC(=NC1CCCC1)C(O)c1c[nH]c2ccccc12,0,0.0,
+COC(=O)/C(=C1/Oc2cc(C)oc(=O)c2S1)C(F)(F)F,0,0.0,
+COC(=O)/C(=C1/Oc2cc3c(cc2S1)OCO3)C(F)(F)F,0,0.0,
+COC(=O)/C(C#N)=C1/SC=C(C)N1c1ccccc1,0,0.0,
+COC(=O)/C(C(C)=O)=C(\C=C\C=C\N(C)C)N(C)C,1,100.0,0.0
+COC(=O)/C=C(\C)NC(=O)c1ccccc1Cl,0,0.0,
+COC(=O)/C=C(\C)NC(=O)c1cccs1,0,0.0,
+COC(=O)/C=C/S(=O)(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+COC(=O)/C=C1\NCCSC1=O,0,0.0,
+COC(=O)/C=c1/s/c(=C(/C#N)C(=O)N2CCCCC2)n(-c2ccccc2)c1=O,0,0.0,
+COC(=O)/C=c1/s/c(=C(/C#N)C(=O)N2CCOCC2)n(-c2ccccc2)c1=O,0,0.0,
+COC(=O)/C=c1/s/c(=C(\C#N)C(=O)NCc2ccco2)n(-c2ccc(C)cc2)c1=O,0,0.0,
+COC(=O)/C=c1/s/c(=C(\C#N)C(=O)NCc2ccco2)n(-c2ccccc2)c1=O,1,100.0,0.0
+COC(=O)/C=c1/sc2n(c1=O)CCN=2,0,0.0,
+COC(=O)/C=c1/sc2nc3ccccc3n2c1=O,1,100.0,0.0
+COC(=O)/C=c1\sc2n(c1=O)C(C)=CC(C)(C)N=2,0,0.0,
+COC(=O)/C=c1\sc2ncnn2c1=O,0,0.0,
+COC(=O)C(C#N)C(=C1C(=O)CC(C)(C)CC1=O)c1ccc(O)cc1,0,0.0,
+COC(=O)C(C#N)C(c1cccnc1)c1c(C)[nH][nH]c1=O,0,0.0,
+COC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,0,0.0,
+COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+COC(=O)C(C(=O)N1CCN(C)CC1)C1CCCCCC1,1,100.0,0.0
+COC(=O)C(C(=O)NCC1CCCO1)C1CCCCCC1,0,0.0,
+COC(=O)C(C(=O)Nc1cc(C)on1)C1CCCCCC1,0,0.0,
+COC(=O)C(C(=O)Nc1ccc(OC)cc1)C1CCCCCC1,0,0.0,
+COC(=O)C(C(=O)Nc1ccccc1C)C1CCCC1,0,0.0,
+COC(=O)C(C(=O)Nc1ncccn1)C1CCCCCC1,0,0.0,
+COC(=O)C(C(=O)OC)=C(/C=C/C=C/N(C)C)N(C)C,0,0.0,
+COC(=O)C(C(=O)OC)=C(/C=C/N(C)C)N(C)C,0,0.0,
+COC(=O)C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)C(=O)OC,0,0.0,
+COC(=O)C(C(=O)OC)C(C(C)C)C(C(=O)OC)C(=O)OC,0,0.0,
+COC(=O)C(C(=O)OC)N1C(=O)CCC1=O,0,0.0,
+COC(=O)C(C)(C)C1c2cc(Br)ccc2OC(=O)C1C(=O)N1CCOCC1,0,0.0,
+COC(=O)C(C)(C)C1c2cc(Br)ccc2OC(=O)C1C(=O)c1ccco1,0,0.0,
+COC(=O)C(C)C1Sc2ccccc2NC1=O,0,0.0,
+COC(=O)C(C)N(C#N)c1nc(C)nc(C)n1,0,0.0,
+COC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1,0,0.0,
+COC(=O)C(C)NC(=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+COC(=O)C(C)NC(=O)C1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C,0,0.0,
+COC(=O)C(C)NS(=O)(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+COC(=O)C(C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3,0,0.0,
+COC(=O)C(C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3,0,0.0,
+COC(=O)C(C)Oc1ccc(=O)[nH]n1,0,0.0,
+COC(=O)C(C)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,0,0.0,
+COC(=O)C(C)Sc1ccc2nnc(-c3ccc(F)cc3)n2n1,0,0.0,
+COC(=O)C(C)Sc1ccc2nnc(-c3cccc(F)c3)n2n1,0,0.0,
+COC(=O)C(C)Sc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COC(=O)C(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C,0,0.0,
+COC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,0,0.0,
+COC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+COC(=O)C(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C,0,0.0,
+COC(=O)C(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1,0,0.0,
+COC(=O)C(C)Sc1nc2c(c(=O)n1-c1ccccc1)SCC2,0,0.0,
+COC(=O)C(C)Sc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1,0,0.0,
+COC(=O)C(C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1,0,0.0,
+COC(=O)C(C)Sc1ncnc2c1nnn2-c1ccc(F)cc1,0,0.0,
+COC(=O)C(C)Sc1nnc(-c2ccncc2)o1,0,0.0,
+COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C,0,0.0,
+COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1,0,0.0,
+COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OC)cc1,0,0.0,
+COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1,0,0.0,
+COC(=O)C(C)Sc1nnc(SC(C)C(=O)OC)s1,0,0.0,
+COC(=O)C(C)Sc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCCC4,0,0.0,
+COC(=O)C(C)[C@@H]1c2cc(Br)ccc2OC(=O)[C@H]1C(=O)N1CCOCC1,0,0.0,
+COC(=O)C(C)n1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,0,0.0,
+COC(=O)C(C)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O,0,0.0,
+COC(=O)C(C)n1cnc2c(nnn2-c2cccc(Cl)c2)c1=O,0,0.0,
+COC(=O)C(C)n1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O,0,0.0,
+COC(=O)C(CC(=O)Nc1cc(C)ccc1C)Nc1ccccc1OC,0,0.0,
+COC(=O)C(CC(C)C)NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1,0,0.0,
+COC(=O)C(CC(C)C)NC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+COC(=O)C(CC(C)C)NC(=O)c1ccc(F)cc1,0,0.0,
+COC(=O)C(CC(C)C)Oc1ccc2c(C)cc(=O)oc2c1,0,0.0,
+COC(=O)C(CCCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)CN,0,0.0,
+COC(=O)C(CCSC)NC(=O)C(NC(=O)C1CCC(C)CC1)C(C)C,0,0.0,
+COC(=O)C(CCSC)NC(=O)CNC(=O)C1CCCCC1,0,0.0,
+COC(=O)C(CCSC)NC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21,0,0.0,
+COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)Oc1ccccc1,0,0.0,
+COC(=O)C(Cc1ccc(O)cc1)NC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,0,0.0,
+COC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1OC,0,0.0,
+COC(=O)C(Cc1ccccc1)NC(=O)CSc1nc(C)cc(=O)[nH]1,0,0.0,
+COC(=O)C(Cc1ccccc1)NC(=O)CSc1nc(N)cc(=O)[nH]1,0,0.0,
+COC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1,0,0.0,
+COC(=O)C(Cc1cncn1COCc1ccccc1)NC(=O)OC(C)(C)C,0,0.0,
+COC(=O)C(F)(F)Sc1c(C)[nH]c2ccccc12,0,0.0,
+COC(=O)C(F)(Sc1c(C)n(C)n(-c2ccccc2)c1=O)C(F)(F)F,0,0.0,
+COC(=O)C(NC(=O)C(C)Oc1ccccc1)C(C)C,0,0.0,
+COC(=O)C(NC(=O)C(NC(=O)c1ccccc1)C(C)C)C(C)C,0,0.0,
+COC(=O)C(NC(=O)c1ccc(F)cc1)(Nc1nc(C)cs1)C(F)(F)F,0,0.0,
+COC(=O)C(NC(=O)c1ccccc1)(Nc1nc(C)cs1)C(F)(F)F,0,0.0,
+COC(=O)C(NC(=O)c1ccccc1)(Nc1nccs1)C(F)(F)F,0,0.0,
+COC(=O)C(NC(=O)c1ccccc1)=C(C)C,0,0.0,
+COC(=O)C(NC(=O)c1ccccc1)=C1C=C(C)OC(C)=C1,0,0.0,
+COC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1,0,0.0,
+COC(=O)C(NC(=O)c1ccccc1)c1ccccc1,0,0.0,
+COC(=O)C(NC(=O)c1ccco1)(Nc1ccc(Br)cn1)C(F)(F)F,0,0.0,
+COC(=O)C(NC(=O)c1ccco1)(Nc1nc(C)cs1)C(F)(F)F,0,0.0,
+COC(=O)C(NC(=O)c1ccco1)(Nc1nc(C2CC2)cs1)C(F)(F)F,0,0.0,
+COC(=O)C(NC(C)=O)(Nc1ccc(Br)cc1)C(=O)OC,0,0.0,
+COC(=O)C(NC(C)=O)(Nc1ccc(Br)cn1)C(F)(F)F,0,0.0,
+COC(=O)C(NC(C)=O)(Nc1ccccc1)C(=O)OC,0,0.0,
+COC(=O)C(NC(C)=O)(Nc1ccccn1)C(F)(F)F,0,0.0,
+COC(=O)C(NC(C)=O)(Nc1nc2c(s1)CCCC2)C(F)(F)F,0,0.0,
+COC(=O)C(NC(C)=O)(Nc1nc2ccc(S(C)(=O)=O)cc2s1)C(F)(F)F,0,0.0,
+COC(=O)C(NC=O)C(O)(Cc1ccccc1)C(F)(F)F,0,0.0,
+COC(=O)C(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(C)C,0,0.0,
+COC(=O)C(NS(C)(=O)=O)(c1c(C)[nH]c2ccccc12)C(F)(F)F,0,0.0,
+COC(=O)C(Nc1nccs1)(OC)C(F)(F)F,0,0.0,
+COC(=O)C(O)(CC(=O)Nc1ccc(Cl)cc1F)C(F)(F)F,0,0.0,
+COC(=O)C(O)(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F,0,0.0,
+COC(=O)C(O)(CC(=O)Nc1cccc(SC)c1)C(F)(F)F,0,0.0,
+COC(=O)C(O)(CC(=O)c1ccc(OC)cc1)C(F)(F)F,0,0.0,
+COC(=O)C(O)(NC(=O)NC(C)=O)C(F)(F)F,0,0.0,
+COC(=O)C(O)(NC(=O)OCc1ccccc1)C(F)(F)F,0,0.0,
+COC(=O)C(O)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F,0,0.0,
+COC(=O)C(O)(c1c[nH]c2ccccc12)C(F)(F)F,0,0.0,
+COC(=O)C(O)(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F,1,100.0,0.0
+COC(=O)C(O)(c1ccc(NC(=O)c2ccco2)c(OC)c1)C(F)(F)F,0,0.0,
+COC(=O)C(O)(c1ccc2c(c1)CCCN2)C(F)(F)F,0,0.0,
+COC(=O)C(O)(c1cn(C)c2ccccc12)C(F)(F)F,0,0.0,
+COC(=O)C(c1cc(OC)c(O)c(OC)c1)(N1CCNC(C)C1)C(F)(F)F,0,0.0,
+COC(=O)C(c1ccccc1)N1CCCCCC1,0,0.0,
+COC(=O)C1(C#N)C(c2ccccc2)C1(C(=O)OC)C(=O)OC,0,0.0,
+COC(=O)C1(C(=O)OC)Sc2ccccc2C1=O,0,0.0,
+COC(=O)C1(C(F)(F)F)N=C(N(C)C)OC(N(C)C)=N1,0,0.0,
+COC(=O)C1(C(F)(F)F)N=C2Sc3ccccc3N2C(N2CCOCC2)=N1,0,0.0,
+COC(=O)C1(C(O)C(=O)c2ccc(C)cc2C)CCCCC1,0,0.0,
+COC(=O)C1(C)NC(=O)c2ccccc2N1,0,0.0,
+COC(=O)C1(C)NC(c2ccc(O)cc2)C2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)C21,0,0.0,
+COC(=O)C1(C)NC(c2ccco2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21,0,0.0,
+COC(=O)C1(C)NC(c2cccs2)C2C(=O)N(c3ccc(F)cc3)C(=O)C21,0,0.0,
+COC(=O)C1(C)NC(c2cccs2)C2C(=O)N(c3ccccc3F)C(=O)C21,0,0.0,
+COC(=O)C1(C)Nc2ccccc2C(=O)N1c1ccccc1C,0,0.0,
+COC(=O)C1(C)Nc2ccccc2C(=O)N1c1ccccc1OC,0,0.0,
+COC(=O)C1(CCSC)NC(c2ccc(O)cc2)C2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)C21,0,0.0,
+COC(=O)C1(CCSC)NC(c2ccccc2OC)C2C(=O)N(C)C(=O)C21,0,0.0,
+COC(=O)C1(CCSC)NC(c2ccco2)C2C(=O)N(C)C(=O)C21,0,0.0,
+COC(=O)C1(CO)NC(c2cccs2)C2C(=O)N(c3ccccc3)C(=O)C21,0,0.0,
+COC(=O)C1(S(=O)(=O)C2(C(=O)OC)CCCC2)CCCC1,0,0.0,
+COC(=O)C1(S(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)CC1,0,0.0,
+COC(=O)C1(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+COC(=O)C1(c2ccccc2)NC(c2cccs2)C2C(=O)N(C)C(=O)C21,0,0.0,
+COC(=O)C1=C(C(=O)c2ccc(C)cc2)C(c2ccc(O)c(OC)c2)n2nnnc2N1,0,0.0,
+COC(=O)C1=C(C(=O)c2ccc(C)cc2)C(c2ccc(OC)c(OC)c2)n2nnnc2N1,0,0.0,
+COC(=O)C1=C(C(=O)c2ccccc2)C(c2ccc(O)c(OC)c2)n2nnnc2N1,0,0.0,
+COC(=O)C1=C(C(=O)c2ccccc2)C(c2ccc(OC)c(OC)c2)Nc2nnnn21,0,0.0,
+COC(=O)C1=C(C(=O)c2ccccc2)C(c2cccs2)n2nnnc2N1,0,0.0,
+COC(=O)C1=C(C(C)=O)C(c2ccc(C(=O)OC)cc2)n2nnnc2N1,0,0.0,
+COC(=O)C1=C(C(C)=O)C(c2ccc(C)cc2)n2nnnc2N1,0,0.0,
+COC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1,0,0.0,
+COC(=O)C1=C(C)C(c2cccs2)NC(=O)N1C,0,0.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)cc(Cl)c1OC,0,0.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(C)cc1,0,0.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(O)c(OC)c1,0,0.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1,0,0.0,
+COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C(=O)OC)cc1,0,0.0,
+COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(F)c(Br)c1,0,0.0,
+COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccc(Br)c1,0,0.0,
+COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1C,0,0.0,
+COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccn1,0,0.0,
+COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccncc1,0,0.0,
+COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccsc1,0,0.0,
+COC(=O)C1=C(C)N(CC2CCCO2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(S(N)(=O)=O)cc2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N2C(=O)CSC2=NC1c1ccc2c(c1)OCO2,0,0.0,
+COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1/C=C/c1ccccc1OC,0,0.0,
+COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(C(=O)OC)cc1,0,0.0,
+COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(F)c1,0,0.0,
+COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccs1,0,0.0,
+COC(=O)C1=C(C)N=C2SCCC(=O)N2C1/C=C/c1ccccc1,1,100.0,1.0
+COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(Br)ccc1OC,0,0.0,
+COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(C(=O)OC)cc1,0,0.0,
+COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccs1,0,0.0,
+COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2C1c1cccs1,0,0.0,
+COC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2C1c1ccccc1,0,0.0,
+COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2C1c1ccccc1,0,0.0,
+COC(=O)C1=C(C)NC(=O)C1(NC(=O)CN1CCCC1=O)C(F)(F)F,0,0.0,
+COC(=O)C1=C(C)NC(=O)C1(NC(=O)c1cccnc1)C(F)(F)F,0,0.0,
+COC(=O)C1=C(C)NC(=O)C1(Nc1ccc(Cl)cn1)C(F)(F)F,0,0.0,
+COC(=O)C1=C(C)NC(=O)C1(Nc1nccs1)C(F)(F)F,0,0.0,
+COC(=O)C1=C(C)NC(=O)CC1c1cc(Br)ccc1F,0,0.0,
+COC(=O)C1=C(C)NC(=O)CC1c1cc2c(cc1Br)OCO2,0,0.0,
+COC(=O)C1=C(C)NC(=O)CC1c1ccc(C(=O)OC)cc1,0,0.0,
+COC(=O)C1=C(C)NC(=O)CC1c1ccc(F)c(Br)c1,0,0.0,
+COC(=O)C1=C(C)NC(=O)CC1c1cccc(Cl)c1Cl,0,0.0,
+COC(=O)C1=C(C)NC(=O)CC1c1cccc(OC)c1OC,0,0.0,
+COC(=O)C1=C(C)NC(=O)CC1c1ccccc1F,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1/C=C/c1ccccc1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)ccc1OC,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)N2CCCCC2)cc1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1ccccc1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1,1,100.0,0.0
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OC1CCCCC1=O,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCCN1C(=O)c2ccccc2C1=O,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1CC=CCC1,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2cc(C)ccc2[nH]c1=O,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2ccc(C)cc2[nH]c1=O,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(N(C)C)cc1,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(NC(C)=O)cc1,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2ccco2)cc1,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1OCc1c(C)no[n+]1[O-],0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccn1,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccco1,0,0.0,
+COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(C)n1,0,0.0,
+COC(=O)C1=C(C)NC2=C(C(=O)CC(c3cccs3)C2)C1c1ccsc1,0,0.0,
+COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(C)n1,0,0.0,
+COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccccn1,0,0.0,
+COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccs1,0,0.0,
+COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccsc1,0,0.0,
+COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1coc2ccccc2c1=O,0,0.0,
+COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(-c2ccc(C(=O)O)cc2)o1,0,0.0,
+COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1cccs1,0,0.0,
+COC(=O)C1=C(C)Nc2ccc(C)cc2S1,0,0.0,
+COC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2C1c1ccc(C)o1,0,0.0,
+COC(=O)C1=C(C)Nc2ncnn2C1c1ccc(C)o1,0,0.0,
+COC(=O)C1=C(C)Nc2ncnn2C1c1ccc(OC(=O)c2ccccc2)cc1,0,0.0,
+COC(=O)C1=C(C)Nc2ncnn2C1c1ccc(OCc2ccccc2)cc1,0,0.0,
+COC(=O)C1=C(C)Nc2ncnn2C1c1ccccn1,0,0.0,
+COC(=O)C1=C(C)Nc2ncnn2C1c1ccco1,0,0.0,
+COC(=O)C1=C(C)Nc2nnnn2C1c1cc(OC)ccc1OC,0,0.0,
+COC(=O)C1=C(C)Nc2nnnn2C1c1ccc(Cl)cc1Cl,0,0.0,
+COC(=O)C1=C(C)Nc2nnnn2C1c1ccco1,0,0.0,
+COC(=O)C1=C(C)Nc2nnnn2C1c1cccs1,0,0.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1C1CCCCC1,0,0.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccccc2)c1Cl,0,0.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(OC)c(OCC(N)=O)cc1Cl,0,0.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(OC)ccc1OC,0,0.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)c(OC)c1OC,0,0.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccccc1,0,0.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccccc1F,0,0.0,
+COC(=O)C1=C(C)n2cnnc2NC1c1ccc(Cl)cc1,0,0.0,
+COC(=O)C1=C(C)n2nnnc2NC1c1cc2ccccc2o1,0,0.0,
+COC(=O)C1=C(C)n2nnnc2NC1c1ccc(Cl)cc1,0,0.0,
+COC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)NC1c1ccc(F)cc1,0,0.0,
+COC(=O)C1=C(CN2CCSCC2)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+COC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+COC(=O)C1=C(CSCc2ccco2)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+COC(=O)C1=C(CSc2nc3ccccc3o2)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+COC(=O)C1=C(CSc2nncn2C)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+COC(=O)C1=C(CSc2nnnn2C)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)C1c1ccc2c(c1)OCO2,0,0.0,
+COC(=O)C1=C(N)OC(C)=C(C(C)=O)C12C(=O)N(C)c1ccccc12,0,0.0,
+COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1,0,0.0,
+COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccoc1,0,0.0,
+COC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1cccs1,0,0.0,
+COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(C)c1ccccc12,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1cc(OC)c(OC)c(OC)c1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1ccncc1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2C1c1ccc(Cl)c(Cl)c1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2C1c1ccc(Cl)cc1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccc(Cl)cc1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccccc1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccccc1OC,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c2C1c1ccc(Cl)cc1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c2C1c1cccc(Cl)c1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c2C1c1ccccc1Cl,1,100.0,0.0
+COC(=O)C1=C(N)Oc2cc(C)n(CCN3CCOCC3)c(=O)c2C1c1cccnc1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2C1c1cccnc1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1cc(OC)ccc1OC,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1ccc(OC)c(OC)c1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1ccc(OC)c(OC)c1OC,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1cccc(OC)c1OC,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1ccccc1OC,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2C1c1cccc(Cl)c1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccncc3)c(=O)c2C1c1cccnc1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1cccnc1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccncc1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(N(C)C)ccc2C1c1ccccc1OC,0,0.0,
+COC(=O)C1=C(N)n2c(s/c(=C\c3cccnc3)c2=O)=C(C(=O)OC)C1c1cccnc1,0,0.0,
+COC(=O)C1=C2SC(C)C(=O)N2C(N)=C(C#N)C1c1cc(OC)c(OC)c(OC)c1,0,0.0,
+COC(=O)C1=C2SC(C)C(=O)N2C(N)=C(C#N)C1c1ccc(OC)c(OC)c1,0,0.0,
+COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cc2c(cc1Br)OCO2,0,0.0,
+COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cccc(OC)c1,0,0.0,
+COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(Cl)cc1Cl,0,0.0,
+COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1,0,0.0,
+COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccccc1Cl,0,0.0,
+COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccsc1,0,0.0,
+COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(C(=O)OC)cc1,1,100.0,1.0
+COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccccc1OC,0,0.0,
+COC(=O)C1=CN(CC2CCCO2)C=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1,0,0.0,
+COC(=O)C1=CN(CC2CCCO2)C=C(C(=O)OC)C1c1ccsc1,0,0.0,
+COC(=O)C1=CN(CCCN2CCCC2=O)C=C(C(=O)OC)C1c1ccccc1C(F)(F)F,0,0.0,
+COC(=O)C1=CN(CCCN2CCCC2=O)C=C(C(=O)OC)C1c1cccs1,0,0.0,
+COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(C(=O)OC)cc1,1,100.0,1.0
+COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(Cl)cc1,0,0.0,
+COC(=O)C1=CNC=C(C(=O)OC)C1c1cccc(OC)c1,0,0.0,
+COC(=O)C1=CNC=C(C(=O)OC)C1c1ccccc1Cl,0,0.0,
+COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12,0,0.0,
+COC(=O)C1=[N+]([O-])OC(C(=O)OC)C1c1c[nH]c2ccccc12,0,0.0,
+COC(=O)C1C(=O)C2=C(CC1C)NC(=O)CC2c1ccc(O)c(OC)c1,0,0.0,
+COC(=O)C1C(=O)C2=C(CC1C)NC(=O)CC2c1cccc(C)c1,0,0.0,
+COC(=O)C1C(=O)C2=C(CC1C)NC(=O)CC2c1ccccc1,0,0.0,
+COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OC(C)C)C2c1ccc(OC)c(O)c1,0,0.0,
+COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OC1CCCC1)C2c1ccc(N(C)C)cc1,0,0.0,
+COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OC1CCCCC1)C2c1ccc(N(C)C)cc1,0,0.0,
+COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OCCOc1ccccc1)C2c1ccc(C)o1,0,0.0,
+COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OCc1ccc(OC)cc1)C2c1ccc(C)o1,0,0.0,
+COC(=O)C1C(=O)C=C(N2CCOCC2)CC1(C)C,0,0.0,
+COC(=O)C1C(=O)CC(C)(O)C(C(=O)OC)C1/C=C/c1ccccc1,0,0.0,
+COC(=O)C1C(=O)CC(C)(O)C(C(=O)OC)C1c1ccc2c(c1)OCO2,0,0.0,
+COC(=O)C1C(=O)CC(C)(O)C(C(=O)OC)C1c1ccccc1F,0,0.0,
+COC(=O)C1C(=O)N2CCCSC2=C(C#N)C1c1cccs1,0,0.0,
+COC(=O)C1C(=O)NC(SC)=C(C#N)C1c1ccccc1,0,0.0,
+COC(=O)C1C(=O)NC(SC)=C(C#N)C1c1ccccc1F,0,0.0,
+COC(=O)C1C(=O)NCC1c1ccccc1,0,0.0,
+COC(=O)C1C(=O)c2c([nH]c(C(=O)OC3CCCC3)c2C)CC1C,0,0.0,
+COC(=O)C1C(=O)c2c([nH]c(C(=O)OC3CCCC3C)c2C)CC1C,0,0.0,
+COC(=O)C1C(=O)c2c([nH]c(C(=O)OC3CCCCC3)c2C)CC1C,0,0.0,
+COC(=O)C1C(=O)c2c([nH]c(C(=O)OC3CCCCCC3)c2C)CC1C,0,0.0,
+COC(=O)C1C(=O)c2c([nH]c(C(=O)OCC3CCCO3)c2C)CC1C,0,0.0,
+COC(=O)C1C(=O)c2c([nH]c(C(=O)OCCOC(C)C)c2C)CC1C,1,100.0,0.0
+COC(=O)C1C(=O)c2c([nH]c(C(=O)OCCSC)c2C)CC1C,0,0.0,
+COC(=O)C1C(=O)c2c(n[nH]c2C)CC1(C)C,0,0.0,
+COC(=O)C1C(O)=C(C(C)=N)C(=O)CC1(C)C,0,0.0,
+COC(=O)C1C(O)=C(C=NC2CCCCC2)C(=O)CC1(C)C,0,0.0,
+COC(=O)C1C(O)=C(C=NCC(C)N=CC2=C(O)C(C(=O)OC)C(C)(C)CC2=O)C(=O)CC1(C)C,0,0.0,
+COC(=O)C1C(c2ccccc2)C(C(=O)N2CCN(C)CC2)C1c1ccccc1,0,0.0,
+COC(=O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1,0,0.0,
+COC(=O)C1C2C=CC3(CN(C(C)C)C(=O)C13)O2,0,0.0,
+COC(=O)C1C2C=CC3(CN(C(C)c4ccc(OC)cc4)C(=O)C13)O2,0,0.0,
+COC(=O)C1C2C=CC3(CN(C4CCCC4)C(=O)C13)O2,0,0.0,
+COC(=O)C1C2C=CC3(CN(CC4CCCO4)C(=O)C13)O2,0,0.0,
+COC(=O)C1C2C=CC3(CN(CCc4ccccc4)C(=O)C13)O2,0,0.0,
+COC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2,0,0.0,
+COC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2,0,0.0,
+COC(=O)C1C2C=CC3(CN(c4ccc(Cl)c(F)c4)C(=O)C13)O2,0,0.0,
+COC(=O)C1C2C=CC3(CN(c4cccc(C)c4)C(=O)C13)O2,0,0.0,
+COC(=O)C1C2C=CC3(CN(c4cccc(Cl)c4)C(=O)C13)O2,0,0.0,
+COC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C/c3cn(C)nc3C)c(=O)n12,0,0.0,
+COC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C/c3cnn(C)c3)c(=O)n12,0,0.0,
+COC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C/c3cnn(C)c3C)c(=O)n12,0,0.0,
+COC(=O)C1CCC(C)(C(=O)Nc2ccccc2)C1(C)C,0,0.0,
+COC(=O)C1CCCN1C(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1,0,0.0,
+COC(=O)C1CCCN1C(=O)c1cccs1,0,0.0,
+COC(=O)C1CCCN1C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1,0,0.0,
+COC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1,0,0.0,
+COC(=O)C1CCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)CC1,1,100.0,
+COC(=O)C1CCN(C(=O)C23CCC(C)(C(=O)O2)C3(C)C)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)CCCOc2ccccc2)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)COC(=O)CC(NC(N)=O)c2ccc(Cl)cc2)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)COC(=O)Cc2c[nH]c3ccccc23)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)COC(=O)Cn2cnnn2)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)COC(=O)c2n[nH]c3ccccc23)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)COc2cc3sc(C)nc3c3sccc23)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)CSc2nnc(-c3ccncc3)o2)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)N2CCOCC2)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)NC(C)(C)C)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCc3cccnc3)c2)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)c2ccc(SC)cc2OC)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)c2ccccc2NC(C)=O)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)CC1,0,0.0,
+COC(=O)C1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1,0,0.0,
+COC(=O)C1CCN(C(c2cc(OC)c(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+COC(=O)C1CCN(C(c2ccc(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+COC(=O)C1CCN(C(c2cccs2)c2sc3nc(C)nn3c2O)CC1,0,0.0,
+COC(=O)C1CCN(Cc2cc(=O)oc3cc(OC)ccc23)CC1,0,0.0,
+COC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+COC(=O)C1CCN(S(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)CC1,0,0.0,
+COC(=O)C1CCN(S(C)(=O)=O)CC1,0,0.0,
+COC(=O)C1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1,0,0.0,
+COC(=O)C1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1,0,0.0,
+COC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,0,0.0,
+COC(=O)C1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1,0,0.0,
+COC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1,0,0.0,
+COC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OCC(C)C)CC1,0,0.0,
+COC(=O)C1CN(S(=O)(=O)c2ccc(C)cc2)CCN1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+COC(=O)C1Cc2c([nH]c3ccccc23)C(C)N1,0,0.0,
+COC(=O)C1Cc2c([nH]c3ccccc23)CN1,0,0.0,
+COC(=O)C1OC2(OC1C(=O)OC)c1ccccc1-c1ccccc12,0,0.0,
+COC(=O)C1ON2OC(C(=O)OC)C(C(=O)OC)C2C1CC(C)=O,0,0.0,
+COC(=O)C1Sc2[nH]c(=O)sc2C(c2ccc(Cl)cc2)C1C(=O)OC,0,0.0,
+COC(=O)C1Sc2[nH]c(=O)sc2C2c3ccccc3OC(=O)C12,0,0.0,
+COC(=O)C1[C@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3,0,0.0,
+COC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N,0,0.0,
+COC(=O)CC(=O)CSc1nc2c(cc1C#N)CCC2,0,0.0,
+COC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCC2,0,0.0,
+COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1,0,0.0,
+COC(=O)CC(C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)N1CCN(C)CC1,0,0.0,
+COC(=O)CC1(CC(=O)OC)C(=O)NC(=O)NC1=O,0,0.0,
+COC(=O)CC1(Cc2ccccc2)C(=O)NC(=O)NC1=O,0,0.0,
+COC(=O)CC1=C(C(=O)OC)C(c2ccc3c(c2Cl)OCO3)C(C#N)=C(N)O1,0,0.0,
+COC(=O)CC1=C(C(=O)OC)C(c2cccc(OCC(N)=O)c2)C(C#N)=C(N)O1,0,0.0,
+COC(=O)CC1=C(C(=O)OC)C(c2cccs2)C(C#N)=C(N)O1,0,0.0,
+COC(=O)CC1=C(C(=O)OC)C(c2ccncc2)C(C#N)=C(N)O1,0,0.0,
+COC(=O)CC1=C(C(=O)OC)C2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1,0,0.0,
+COC(=O)CC1=C(C(=O)OC)C2(C(=O)Nc3c(C)cccc32)C(C#N)=C(N)O1,0,0.0,
+COC(=O)CC1=C(C)C(=O)CC2C(C)(C)CCCC12C,0,0.0,
+COC(=O)CC1=NC(=O)CS1,0,0.0,
+COC(=O)CC1=Nc2ccccc2NC(=O)C1,0,0.0,
+COC(=O)CC1C(=O)NC2CCCCC2N1C(=O)c1ccccc1,0,0.0,
+COC(=O)CC1C(=O)NCCN1C(=O)CSc1nnc(Nc2ccc(OC)cc2)s1,0,0.0,
+COC(=O)CC1C(=O)NCCN1C(=O)NC1CCCCC1,0,0.0,
+COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1,0,0.0,
+COC(=O)CC1C(=O)NCCN1C(=O)c1ccccc1,0,0.0,
+COC(=O)CC1NC2CCCCC2NC1=O,0,0.0,
+COC(=O)CC1NCCNC1=O,0,0.0,
+COC(=O)CC1Nc2ccccc2SC1=O,0,0.0,
+COC(=O)CC1Oc2ccc(C)cc2NC1=O,0,0.0,
+COC(=O)CC1Oc2ccccc2N(Cc2ccc(C)cc2)C1=O,0,0.0,
+COC(=O)CC1Oc2ccccc2N(Cc2ccccc2)C1=O,1,100.0,0.0
+COC(=O)CC1SC(=O)NC1=Nc1ccc(C)cc1,0,0.0,
+COC(=O)CC1SC(=O)NC1=Nc1ccccc1,0,0.0,
+COC(=O)CC1SC(=O)NC1=O,0,0.0,
+COC(=O)CC1SCCNC1=O,0,0.0,
+COC(=O)CC1Sc2ccccc2NC1=O,0,0.0,
+COC(=O)CCC(=O)CN,0,0.0,
+COC(=O)CCC(=O)COc1ccc(OC)cc1C#N,0,0.0,
+COC(=O)CCC(=O)COc1ccccc1C#N,0,0.0,
+COC(=O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)ccc21,0,0.0,
+COC(=O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,0,0.0,
+COC(=O)CCC(=O)Nc1ccc(Br)cc1,0,0.0,
+COC(=O)CCC(=O)Nc1ccc(C)cc1OC(=O)CCC(=O)OC,0,0.0,
+COC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+COC(=O)CCC(=O)Nc1ccc(NC(=O)CCC(=O)OC)cc1,0,0.0,
+COC(=O)CCC(=O)Nc1ccc(NC(C)=O)cc1,0,0.0,
+COC(=O)CCC(=O)Nc1ccc(OC)cc1,0,0.0,
+COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+COC(=O)CCC(=O)Nc1cccc(Br)c1,0,0.0,
+COC(=O)CCC(=O)Nc1cccc(Cl)c1,0,0.0,
+COC(=O)CCC(=O)Nc1cccc2c(NC(=O)CCC(=O)OC)cccc12,0,0.0,
+COC(=O)CCC(=O)Nc1ccccc1C(N)=O,0,0.0,
+COC(=O)CCC(=O)Nc1nc(-c2ccccc2)cs1,0,0.0,
+COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O,0,0.0,
+COC(=O)CCC(=O)Nc1sc2c(c1C#N)CCCC2,0,0.0,
+COC(=O)CCC(=O)Oc1ccc(OC(=O)CCC(=O)OC)cc1,0,0.0,
+COC(=O)CCC(=O)c1oc2ccc(Br)cc2c1N,0,0.0,
+COC(=O)CCC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+COC(=O)CCC(=O)c1oc2ccccc2c1N,0,0.0,
+COC(=O)CCC(=O)c1oc2ccccc2c1NC(=O)CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+COC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)OC,0,0.0,
+COC(=O)CCC(NC(=O)c1cc(-c2ccc3c(c2)OCCO3)oc1C)C(=O)OC,0,0.0,
+COC(=O)CCC/C=C1/SCC(NC(=O)c2ccccc2)C1O,0,0.0,
+COC(=O)CCCC(=O)N1CCOCCN(C(=O)CCCC(=O)OC)CCOCC1,0,0.0,
+COC(=O)CCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F,0,0.0,
+COC(=O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+COC(=O)CCCCC(=O)C1C(=O)CC(C)(C)C(C(=O)OC)C1=O,0,0.0,
+COC(=O)CCCCC1SCC(NC(=O)OC)C1NC(=O)OC,0,0.0,
+COC(=O)CCCCCC(CCC(=O)OC)NC(C)=O,0,0.0,
+COC(=O)CCCCCNc1ccc(C(=O)OC)cc1N,0,0.0,
+COC(=O)CCCCCc1ccc(C(C)=O)s1,0,0.0,
+COC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@]21O,0,0.0,
+COC(=O)CCCNC(=O)CN1CC(c2ccccc2)CC1=O,0,0.0,
+COC(=O)CCCc1nc2ccccc2s1,1,100.0,0.0
+COC(=O)CCN(C(=O)C1C2CC3CC(C2)CC1C3)c1ccccn1,0,0.0,
+COC(=O)CCN(C(=O)c1ccc2c(c1)OCO2)c1ccccn1,0,0.0,
+COC(=O)CCN(C(C)=O)c1ccc(N)cc1,0,0.0,
+COC(=O)CCN(C)CCC(=O)OC,0,0.0,
+COC(=O)CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+COC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1,0,0.0,
+COC(=O)CCN1CCC(C(N)=O)CC1,0,0.0,
+COC(=O)CCNc1ccc2c(c1)OCCO2,0,0.0,
+COC(=O)CCP(=O)(O)Cc1ccccc1CP(=O)(O)CCC(=O)OC,0,0.0,
+COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl,0,0.0,
+COC(=O)CCS(=O)(=O)c1ccc(Cl)c(Cl)c1,0,0.0,
+COC(=O)CCSCC(=O)Nc1cc(C)on1,0,0.0,
+COC(=O)CCSCC(=O)Nc1nnc(C)s1,0,0.0,
+COC(=O)CCSCc1cn2cc(Cl)ccc2n1,0,0.0,
+COC(=O)CCSc1nccn1Cc1ccccc1,0,0.0,
+COC(=O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O,0,0.0,
+COC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O,0,0.0,
+COC(=O)CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C,0,0.0,
+COC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC1,0,0.0,
+COC(=O)CCc1c(C)c(C(=O)c2ccco2)c2ccccn12,0,0.0,
+COC(=O)CCc1c(C)nn(-c2ccccc2)c1C,0,0.0,
+COC(=O)CCc1n[nH]c(=O)[nH]c1=O,0,0.0,
+COC(=O)CCc1nc2ccccc2[nH]c1=O,0,0.0,
+COC(=O)CCn1nnc(-c2ccc(C(C)C)cc2)n1,0,0.0,
+COC(=O)CCn1nnc(-c2ccc(C)cc2)n1,0,0.0,
+COC(=O)CCn1nnc(-c2cccs2)n1,1,100.0,
+COC(=O)CN(C#N)c1nc(OC)nc(N(C)C)n1,0,0.0,
+COC(=O)CN(C#N)c1nc(SC)nc(N(C)C)n1,0,0.0,
+COC(=O)CN(C(=O)CSc1nnc(-c2cccc(OC)c2)o1)c1ccc(OC)cc1,0,0.0,
+COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1,0,0.0,
+COC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1,0,0.0,
+COC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O,0,0.0,
+COC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O,0,0.0,
+COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1,0,0.0,
+COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,0,0.0,
+COC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O,0,0.0,
+COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,0,0.0,
+COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2,0,0.0,
+COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1,0,0.0,
+COC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O,0,0.0,
+COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)noc1C,0,0.0,
+COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1,0,0.0,
+COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1,0,0.0,
+COC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O,0,0.0,
+COC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O,0,0.0,
+COC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O,0,0.0,
+COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1,0,0.0,
+COC(=O)CN(c1ccccc1C)S(C)(=O)=O,0,0.0,
+COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1,0,0.0,
+COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1,0,0.0,
+COC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1,0,0.0,
+COC(=O)CN(c1nc(C)c(Br)c(OC)n1)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+COC(=O)CN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+COC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+COC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1,0,0.0,
+COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1,0,0.0,
+COC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CC3)cc21,0,0.0,
+COC(=O)CN1C(=O)C(C)=C(c2ccc(C)cc2)S1(=O)=O,0,0.0,
+COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Br)cc2)c2ccccc21,0,0.0,
+COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)cc2)c2cc(Br)ccc21,0,0.0,
+COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)cc2)c2ccccc21,0,0.0,
+COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)o2)c2ccccc21,0,0.0,
+COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21,0,0.0,
+COC(=O)CN1C(=O)C(O)(CC(=O)c2cccc(Br)c2)c2ccccc21,0,0.0,
+COC(=O)CN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21,0,0.0,
+COC(=O)CN1C(=O)C2(C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc21,0,0.0,
+COC(=O)CN1C(=O)C2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21,0,0.0,
+COC(=O)CN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)c2ccccc21,0,0.0,
+COC(=O)CN1C(=O)C2(OCCCO2)c2cc(Br)ccc21,0,0.0,
+COC(=O)CN1C(=O)C2(OCCCO2)c2ccccc21,0,0.0,
+COC(=O)CN1C(=O)CC(C)(C)[S+]([O-])c2ccccc21,0,0.0,
+COC(=O)CN1C(=O)CC(C)(C)Sc2ccccc21,0,0.0,
+COC(=O)CN1C(=O)COc2ccc(Cl)cc21,0,0.0,
+COC(=O)CN1C(=O)CSc2ncccc21,0,0.0,
+COC(=O)CN1C(=O)N(c2ccccc2)C(N(O)C(=O)Nc2ccccc2)C1(C)C,0,0.0,
+COC(=O)CN1C2(C#N)CCCCC2CC2CCCCC21C#N,0,0.0,
+COC(=O)CN1C=Nc2cccc3cccc1c23,0,0.0,
+COC(=O)CN1CCN(C(=O)c2ccc(F)cc2)c2ccccc2C1,0,0.0,
+COC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+COC(=O)CNC(=O)C(C)NC(=O)OCc1ccccc1,0,0.0,
+COC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,0,0.0,
+COC(=O)CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2,0,0.0,
+COC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C,0,0.0,
+COC(=O)CNC(=O)C1CCCN1C(=O)OC(C)(C)C,0,0.0,
+COC(=O)CNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1,0,0.0,
+COC(=O)CNC(=O)CNC(=O)Nc1ccccc1,0,0.0,
+COC(=O)CNC(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1,0,0.0,
+COC(=O)CNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N,0,0.0,
+COC(=O)CNC(=O)Cc1c(F)cccc1Cl,0,0.0,
+COC(=O)CNC(=O)Cn1ccc2ccccc2c1=O,0,0.0,
+COC(=O)CNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O,0,0.0,
+COC(=O)CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C,0,0.0,
+COC(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C,0,0.0,
+COC(=O)CNC(=O)c1c(C)cc(=O)oc1C,0,0.0,
+COC(=O)CNC(=O)c1ccc(=O)oc1,0,0.0,
+COC(=O)CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,0,0.0,
+COC(=O)CNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12,0,0.0,
+COC(=O)CNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc12,0,0.0,
+COC(=O)CNS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)NCC(=O)OC)cc2)cc1,0,0.0,
+COC(=O)CNc1c(-c2ccccn2)nc2ccc(Br)cn12,0,0.0,
+COC(=O)CNc1n[nH]c(=S)[nH]c1=O,0,0.0,
+COC(=O)CNc1nc(-c2ccccc2F)nc2ccccc12,0,0.0,
+COC(=O)CNc1nc(-c2cccnc2)nc2ccccc12,0,0.0,
+COC(=O)CNc1nc(-c2ccncc2)nc2ccccc12,0,0.0,
+COC(=O)CNc1nc(C2CC2)nc2c1nnn2Cc1ccccc1Cl,0,0.0,
+COC(=O)CNc1nc(OC)nc(N(C)C)n1,0,0.0,
+COC(=O)COC(=O)CC(CC(N)=O)c1ccccc1,0,0.0,
+COC(=O)COC(=O)c1ccc(-n2nnnc2SC)cc1,0,0.0,
+COC(=O)COC(=O)c1ccc(O)cc1,0,0.0,
+COC(=O)COC(=O)c1ccc(Oc2nc(OC)nc(N(C)C)n2)cc1,0,0.0,
+COC(=O)COc1cc(C)cc2oc(=O)c(CC(=O)OC)c(C)c12,0,0.0,
+COC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3,0,0.0,
+COC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1,0,0.0,
+COC(=O)COc1ccc(C(=O)OC)cc1,0,0.0,
+COC(=O)COc1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+COC(=O)COc1ccc(Oc2cc(C)nc(SC)n2)nn1,0,0.0,
+COC(=O)COc1ccc(Oc2nc(SC)nc(N(C)C)n2)nn1,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)NCC2CCCO2)cc1Cl,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1Cl,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1,1,100.0,
+COC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1Cl,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C,1,100.0,0.0
+COC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1Cl,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1Cl,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1,0,0.0,
+COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1,0,0.0,
+COC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1,0,0.0,
+COC(=O)COc1ccc2oc(=O)cc(C)c2c1,0,0.0,
+COC(=O)COc1ccc2occ(C(C)=O)c2c1,0,0.0,
+COC(=O)COc1cccc(-n2cnnn2)c1,0,0.0,
+COC(=O)COc1cccc(NC(=O)COc2ccccc2)c1,0,0.0,
+COC(=O)COc1cccc(NC(=O)c2ccccc2)c1,0,0.0,
+COC(=O)COc1cccc(NC(=O)c2cccs2)c1,0,0.0,
+COC(=O)COc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,0,0.0,
+COC(=O)COc1nc(C)c(Br)c(OC)n1,0,0.0,
+COC(=O)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2,0,0.0,
+COC(=O)COc1nsnc1N1CCOCC1,0,0.0,
+COC(=O)COn1c(SCC(=O)OC)nc2ccccc2c1=O,0,0.0,
+COC(=O)CS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2,0,0.0,
+COC(=O)CS(=O)(=O)c1ccc2c(c1)CC(=O)N2,0,0.0,
+COC(=O)CS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1,0,0.0,
+COC(=O)CSC1=C(C#N)C(=O)NC2(CCCCC2)S1,0,0.0,
+COC(=O)CSC1=C(C#N)C(c2ccc(C(C)C)cc2)CC(=O)N1,0,0.0,
+COC(=O)CSC1=C(C#N)C(c2ccc(Cl)cc2)C(C(=O)OC)C(=O)N1,0,0.0,
+COC(=O)CSC1=C(C#N)C(c2ccc(F)cc2)CC(=O)N1,1,100.0,0.0
+COC(=O)CSC1=C(C#N)C(c2cccc(F)c2)CC(=O)N1,0,0.0,
+COC(=O)CSC1=C(C#N)C(c2cccc(OC)c2)CC(=O)N1,0,0.0,
+COC(=O)CSC1=C(C#N)C(c2ccccc2)CC(=O)N1,0,0.0,
+COC(=O)CSC1=C(C#N)C(c2ccccc2F)CC(=O)N1,0,0.0,
+COC(=O)CSC1=C(C#N)C(c2ccccc2OC)C(C(=O)OC)C(=O)N1,0,0.0,
+COC(=O)CSC1=C(C#N)C(c2sccc2C)CC(=O)N1,0,0.0,
+COC(=O)CSC1=NP(=S)(SCC(=O)OC)N2CCCC2=C1C#N,0,0.0,
+COC(=O)CSC1=NS(=O)(=O)c2ccccc21,0,0.0,
+COC(=O)CSCC(=O)Nc1cc2c(cc1C(C)=O)OCO2,0,0.0,
+COC(=O)CSCc1nc2ccccc2[nH]c1=O,0,0.0,
+COC(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1,0,0.0,
+COC(=O)CSc1cc(C)nc(NC(C)=O)n1,0,0.0,
+COC(=O)CSc1cc(SCC(=O)OC)c(C#N)c(SCC(=O)OC)c1,0,0.0,
+COC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1,0,0.0,
+COC(=O)CSc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1,0,0.0,
+COC(=O)CSc1ccccc1C(=O)OC,0,0.0,
+COC(=O)CSc1n[nH]c(-c2ccncc2)n1,0,0.0,
+COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N,0,0.0,
+COC(=O)CSc1nc(-c2cccs2)ccc1C#N,0,0.0,
+COC(=O)CSc1nc(C(C)C)nc2ccccc12,0,0.0,
+COC(=O)CSc1nc(C)c(C(C)=O)cc1C#N,0,0.0,
+COC(=O)CSc1nc(C)c(Oc2ccccc2)c(=O)[nH]1,0,0.0,
+COC(=O)CSc1nc(C)cc(Oc2ccccc2)n1,0,0.0,
+COC(=O)CSc1nc(C2CC2)cc(C(F)(F)F)c1C#N,0,0.0,
+COC(=O)CSc1nc(C2CC2)nc2ccccc12,0,0.0,
+COC(=O)CSc1nc(N)c(C#N)c(C(C)C)c1C#N,0,0.0,
+COC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3,0,0.0,
+COC(=O)CSc1nc(N)nc(C)c1Br,0,0.0,
+COC(=O)CSc1nc(N2CCCCC2)c2c(c1C#N)CCCC2,0,0.0,
+COC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2,0,0.0,
+COC(=O)CSc1nc(NC(C)C)nc(N2CCOCC2)n1,0,0.0,
+COC(=O)CSc1nc(NCC(C)C)nc(N2CCOCC2)n1,0,0.0,
+COC(=O)CSc1nc2c(c(-c3ccc(C)o3)c1C#N)CCCC2,0,0.0,
+COC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2,0,0.0,
+COC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,0,0.0,
+COC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C,0,0.0,
+COC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+COC(=O)CSc1nc2c(cc1C#N)C(=O)CCC2,0,0.0,
+COC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N,0,0.0,
+COC(=O)CSc1nc2cc(C)ccc2cc1C#N,0,0.0,
+COC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1,0,0.0,
+COC(=O)CSc1nc2cc(OC)ccc2cc1C#N,0,0.0,
+COC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3,0,0.0,
+COC(=O)CSc1nc2cc3c(cc2cc1C)OCCO3,0,0.0,
+COC(=O)CSc1nc2ccc(NC(=O)CSc3nnnn3Cc3ccccc3)cc2s1,0,0.0,
+COC(=O)CSc1nc2ccc(NC(C)=O)cc2s1,0,0.0,
+COC(=O)CSc1nc2ccccc2c(=O)n1C,0,0.0,
+COC(=O)CSc1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C,0,0.0,
+COC(=O)CSc1nc2ccccc2nc1SCC(=O)OC,0,0.0,
+COC(=O)CSc1nc2ccccc2o1,0,0.0,
+COC(=O)CSc1nc2nc(C)cc(C)n2n1,0,0.0,
+COC(=O)CSc1nc2ncc(Cl)cc2[nH]1,0,0.0,
+COC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C,0,0.0,
+COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3,0,0.0,
+COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3,1,100.0,1.0
+COC(=O)CSc1ncc(C#N)c(N)n1,0,0.0,
+COC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1,1,100.0,0.0
+COC(=O)CSc1ncnc2c1cnn2Cc1ccccc1,0,0.0,
+COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3,0,0.0,
+COC(=O)CSc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)o1,0,0.0,
+COC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1,0,0.0,
+COC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1,0,0.0,
+COC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1,0,0.0,
+COC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1,0,0.0,
+COC(=O)CSc1nnc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1C,0,0.0,
+COC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccc(C)cc1,0,0.0,
+COC(=O)CSc1nnc(-c2ccccc2OC)o1,0,0.0,
+COC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1,0,0.0,
+COC(=O)CSc1nnc(-c2cccnc2)n1-c1cc(OC)cc(OC)c1,0,0.0,
+COC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(OC)c1,0,0.0,
+COC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1,0,0.0,
+COC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,0,0.0,
+COC(=O)CSc1nnc(-c2ccco2)o1,0,0.0,
+COC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1,0,0.0,
+COC(=O)CSc1nnc(-c2ccncc2)n1N,0,0.0,
+COC(=O)CSc1nnc(-c2ccncc2)o1,0,0.0,
+COC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(C)cc1,0,0.0,
+COC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(OC)cc1,0,0.0,
+COC(=O)CSc1nnc(C)c(=O)[nH]1,0,0.0,
+COC(=O)CSc1nnc(C)n1-c1cccc(C#N)c1,0,0.0,
+COC(=O)CSc1nnc(C2COc3ccccc3O2)n1-c1ccccc1,0,0.0,
+COC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1C,0,0.0,
+COC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccccc1OC,0,0.0,
+COC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C,0,0.0,
+COC(=O)CSc1nnc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1C,0,0.0,
+COC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2OC)n1C,0,0.0,
+COC(=O)CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1C,0,0.0,
+COC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccccc1OC,0,0.0,
+COC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1-c1ccc(OC)cc1,0,0.0,
+COC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1C,0,0.0,
+COC(=O)CSc1nnc(CNC(=O)c2ccco2)n1-c1ccc(F)cc1,0,0.0,
+COC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cc(OC)ccc1OC,0,0.0,
+COC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cccc(C)c1,0,0.0,
+COC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(C)cc2)n1C,0,0.0,
+COC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1,0,0.0,
+COC(=O)CSc1nnc(CNc2ccc(F)cc2)o1,0,0.0,
+COC(=O)CSc1nnc(CNc2ccc(OC)cc2)n1C,0,0.0,
+COC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1Cc1ccco1,0,0.0,
+COC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1,0,0.0,
+COC(=O)CSc1nnc(SCc2ccc(OC)cc2)s1,0,0.0,
+COC(=O)CSc1nnc(SCc2ccccc2)s1,0,0.0,
+COC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1,0,0.0,
+COC(=O)CSc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1,0,0.0,
+COC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCCO4,0,0.0,
+COC(=O)CSc1nnc2c3c4c(sc3nc(-n3nc(C)cc3C)n12)COC(C)(C)C4,0,0.0,
+COC(=O)CSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3c4c(sc3n12)CCCCC4,0,0.0,
+COC(=O)CSc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCCC4,0,0.0,
+COC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2,0,0.0,
+COC(=O)CSc1nnnn1-c1cccc2ccccc12,0,0.0,
+COC(=O)CSc1nnnn1-c1ccccc1,0,0.0,
+COC(=O)CSc1nsc(SCC(=O)OC)c1C#N,0,0.0,
+COC(=O)CSc1nsc(SCC(=O)OC)n1,0,0.0,
+COC(=O)Cc1[nH]nc2c1C(C1C=CCCC1)C(C#N)=C(N)O2,0,0.0,
+COC(=O)Cc1[nH]nc2c1C(c1c[nH]c3ccccc13)C(C#N)=C(N)O2,0,0.0,
+COC(=O)Cc1[nH]nc2c1C(c1cccc(OC)c1OC)C(C#N)=C(N)O2,0,0.0,
+COC(=O)Cc1[nH]nc2c1C1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2,0,0.0,
+COC(=O)Cc1[nH]nc2c1C1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2,0,0.0,
+COC(=O)Cc1[nH]nc2c1C1(CCSCC1)C(C#N)=C(N)O2,0,0.0,
+COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O,0,0.0,
+COC(=O)Cc1c(C)c2c(OCc3nn[nH]n3)cc(C)cc2oc1=O,0,0.0,
+COC(=O)Cc1c(C)c2cc(Cl)c(OC(=O)c3ccco3)cc2oc1=O,0,0.0,
+COC(=O)Cc1c(C)c2ccc(OC(=O)c3ccco3)cc2oc1=O,0,0.0,
+COC(=O)Cc1c(C)c2ccc(OCC(=O)N3CCOCC3)cc2oc1=O,0,0.0,
+COC(=O)Cc1c(C)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2oc1=O,0,0.0,
+COC(=O)Cc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O,0,0.0,
+COC(=O)Cc1c(C)nc2nc(-c3ccc(OC)cc3)[nH]n2c1=O,0,0.0,
+COC(=O)Cc1c(C)nc2nc(-c3ccccc3)[nH]n2c1=O,0,0.0,
+COC(=O)Cc1c(C)nc2nc(-c3cccnc3)[nH]n2c1=O,0,0.0,
+COC(=O)Cc1c(C)nc2nc(-c3ccco3)[nH]n2c1=O,0,0.0,
+COC(=O)Cc1c(C)nc2nc(Cc3ccccc3)[nH]n2c1=O,0,0.0,
+COC(=O)Cc1c(C)nc2nc[nH]n2c1=O,0,0.0,
+COC(=O)Cc1c[nH]c2ccc(OCC(O)CNC(C)C)cc12,0,0.0,
+COC(=O)Cc1cc(=O)[nH]c(/N=C(/NC(=O)c2ccccc2)Nc2ccccc2C)n1,0,0.0,
+COC(=O)Cc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(C)cc2C)n1,0,0.0,
+COC(=O)Cc1cc(=O)[nH]c(Nc2nc3ccccc3o2)n1,0,0.0,
+COC(=O)Cc1cc(=O)n(-c2ccccc2)[nH]1,0,0.0,
+COC(=O)Cc1cc(=O)n(-c2nc3ccccc3[nH]2)[nH]1,0,0.0,
+COC(=O)Cc1cc(=O)n(-c2nc3ccccc3s2)[nH]1,0,0.0,
+COC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1,0,0.0,
+COC(=O)Cc1ccc(NC(=O)c2cccs2)cc1,0,0.0,
+COC(=O)Cc1ccc2c3ccccc3n(C)c2c1,0,0.0,
+COC(=O)Cc1cnc(NC(=O)C2C3CCC(C3)C2C(=O)O)s1,0,0.0,
+COC(=O)Cc1csc(N)n1,0,0.0,
+COC(=O)Cc1csc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1,0,0.0,
+COC(=O)Cc1n[nH]c(=S)[nH]c1=O,0,0.0,
+COC(=O)Cc1nc2ccccc2[nH]1,0,0.0,
+COC(=O)Cc1nnc(N)s1,0,0.0,
+COC(=O)Cc1nnc(NC(=O)c2ccccc2)s1,0,0.0,
+COC(=O)Cn1c(=N)n(CCN2CCCCC2)c2ccccc21,0,0.0,
+COC(=O)Cn1c(=NC(=O)C2CC2)sc2c(C)cc(C)cc21,0,0.0,
+COC(=O)Cn1c(=NC(=O)CSC(C)=O)sc2ccccc21,0,0.0,
+COC(=O)Cn1c(=NC(=O)CSCC(=O)NC2CCCCC2)sc2cc(OC)ccc21,0,0.0,
+COC(=O)Cn1c(=NC(=O)CSCC(=O)Nc2cc(C)on2)sc2ccccc21,0,0.0,
+COC(=O)Cn1c(=O)c2c(nc(Br)n2CC(=O)OC)n(C)c1=O,0,0.0,
+COC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(C)c(C)c2)n(C)c1=O,0,0.0,
+COC(=O)Cn1c(=O)cnc2ccccc21,0,0.0,
+COC(=O)Cn1c(C)c(C(C)=O)c(C(C)=O)c1C,0,0.0,
+COC(=O)Cn1c(C)nc(=O)c(-c2ccccc2)c1C,0,0.0,
+COC(=O)Cn1c(C)nc2c(sc3nc(C)cc(C)c32)c1=O,0,0.0,
+COC(=O)Cn1c(CCC(=O)O)ccc1-c1ccccc1,0,0.0,
+COC(=O)Cn1c(CCS(=O)(=O)c2ccc(C)c(C)c2)nc2ccccc21,0,0.0,
+COC(=O)Cn1c(CCS(=O)(=O)c2ccc(C)cc2)nc2ccccc21,0,0.0,
+COC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COC(=O)Cn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COC(=O)Cn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COC(=O)Cn1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COC(=O)Cn1c(CN2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COC(=O)Cn1c2c(c3cc(C)ccc31)CCCC2,0,0.0,
+COC(=O)Cn1c2ccc(F)cc2c2nc(C)sc21,0,0.0,
+COC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21,0,0.0,
+COC(=O)Cn1c2ccccc2c2nc(C)sc21,0,0.0,
+COC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21,1,100.0,0.0
+COC(=O)Cn1cc(C(=O)OC)c2ccccc21,0,0.0,
+COC(=O)Cn1cc(C(=O)OC)cc(Br)c1=O,0,0.0,
+COC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21,0,0.0,
+COC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21,0,0.0,
+COC(=O)Cn1ccc(N(C)C)c(C#N)c1=O,0,0.0,
+COC(=O)Cn1cnc(=O)c(C#N)c1/C=C/N(C)C,0,0.0,
+COC(=O)Cn1cnc2c(C#N)c3n(c2c1=O)CCCCC3,0,0.0,
+COC(=O)Cn1cnc2c(nnn2-c2ccc(C)cc2)c1=O,0,0.0,
+COC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O,0,0.0,
+COC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O,0,0.0,
+COC(=O)Cn1nc(-c2ccccc2)c2ccccc21,0,0.0,
+COC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O,0,0.0,
+COC(=O)Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S,0,0.0,
+COC(=O)Cn1ncc2c(C)n(Cc3ccccc3)c(C)c2c1=O,0,0.0,
+COC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O,0,0.0,
+COC(=O)Cn1ncn2c(cc3oc(C)cc32)c1=O,0,0.0,
+COC(=O)Cn1ncn2cccc2c1=O,0,0.0,
+COC(=O)Cn1nnc(-c2cccc(OC)c2)n1,0,0.0,
+COC(=O)N(C)CCCC1(C)C(=O)N(C)c2ccc(O)cc21,1,100.0,0.0
+COC(=O)N(C)c1nc2ccccc2s1,0,0.0,
+COC(=O)N(c1ccc(OC)cc1)P1(=S)OCCC(C)O1,0,0.0,
+COC(=O)N(c1ccccc1)P1(=S)OCCO1,0,0.0,
+COC(=O)N/C(C)=C1/NC(=O)c2ccccc2C(c2ccccc2)N1,0,0.0,
+COC(=O)N1CC(=O)N(OC)C1c1ccc(Cl)cc1Cl,0,0.0,
+COC(=O)N1CC(C)N(C(=O)OC)CC1C,0,0.0,
+COC(=O)N1CC(c2ccccc2)CC1=O,1,100.0,0.0
+COC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+COC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1,0,0.0,
+COC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+COC(=O)N1CCN(c2ccc(OC)cc2)CC1,0,0.0,
+COC(=O)N1CN(C(=O)OC)CN(C(=O)OC)C1,0,0.0,
+COC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OC)C(F)(F)F,0,0.0,
+COC(=O)NC1(C(F)(F)F)C(=O)NC(C)=C1C(=O)OC,0,0.0,
+COC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O,0,0.0,
+COC(=O)NC1CCS(=O)(=O)C1,0,0.0,
+COC(=O)NC1CSCC1OC(=O)CCN1C(=O)c2ccccc2C1=O,0,0.0,
+COC(=O)NC1CSCC1OC(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+COC(=O)NC1CSCC1OC(=O)c1ccc(Br)cc1,0,0.0,
+COC(=O)NCC(C)OC(=O)Nc1cccc(Cl)c1,0,0.0,
+COC(=O)NCC(c1cccnc1)N1CCN(c2ccccc2)CC1,0,0.0,
+COC(=O)NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1,0,0.0,
+COC(=O)NCC(c1cccnc1)N1CCN(c2ccccc2OC)CC1,0,0.0,
+COC(=O)NCC(c1cccnc1)N1CCOCC1,0,0.0,
+COC(=O)NCC1(C)CC(NC(=O)OC)CC(C)(C)C1,0,0.0,
+COC(=O)NCC12CC3CC(C1)CC(CNC(=O)OC)(C3)C2,0,0.0,
+COC(=O)NCCOc1cc(C)ccc1C,0,0.0,
+COC(=O)NCc1cc2cc(Cl)ccc2[nH]1,0,0.0,
+COC(=O)NCc1ccc(Cl)c(Cl)c1,0,0.0,
+COC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+COC(=O)Nc1c(-c2ccccc2)nc2ccc(C)cn12,0,0.0,
+COC(=O)Nc1c(-c2ccccc2)nc2ccccn12,0,0.0,
+COC(=O)Nc1c(C(=O)OC)cc(OC)c(OC)c1OC,0,0.0,
+COC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+COC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C,0,0.0,
+COC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1,0,0.0,
+COC(=O)Nc1cc(C)nc2ccccc12,0,0.0,
+COC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1,0,0.0,
+COC(=O)Nc1ccc(C)c(NC(=O)OC)c1,0,0.0,
+COC(=O)Nc1ccc(C)c2nsnc12,0,0.0,
+COC(=O)Nc1ccc(C)cc1NC(=O)OC,0,0.0,
+COC(=O)Nc1ccc(NC(C)=O)cc1,0,0.0,
+COC(=O)Nc1ccc(OCc2ccccc2)cc1,0,0.0,
+COC(=O)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+COC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+COC(=O)Nc1ccc(S(=O)(=O)N(C)CC(F)(F)C(F)F)cc1,0,0.0,
+COC(=O)Nc1ccc(S(=O)(=O)N(CCO)CC(F)(F)C(F)F)cc1,0,0.0,
+COC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc4c3OCCO4)C2)cc1,0,0.0,
+COC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+COC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,0,0.0,
+COC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,0,0.0,
+COC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,0,0.0,
+COC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3CCC2C)cc1,0,0.0,
+COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1,0,0.0,
+COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN3CCCC3C1)c1ccccc1S2,0,0.0,
+COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2,1,100.0,1.0
+COC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1,0,0.0,
+COC(=O)Nc1ccccc1C(=O)N1CCCCC1,0,0.0,
+COC(=O)Nc1nc(C)c(C(=O)N(C)C)s1,0,0.0,
+COC(=O)Nc1nc2c(C)cccc2s1,0,0.0,
+COC(=O)Nc1nc2c(s1)CCCC2,1,100.0,0.0
+COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,0,0.0,
+COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1,0,0.0,
+COC(=O)Nc1ncc(CN2C(=O)c3ccccc3C2=O)s1,0,0.0,
+COC(=O)Nc1ncc(CN2CCc3ccccc3C2)s1,0,0.0,
+COC(=O)Nc1nnc(-c2ccccc2Cl)s1,0,0.0,
+COC(=O)Nc1nnc(CC(=O)Nc2ccccc2C)s1,0,0.0,
+COC(=O)Nc1nnc(CCc2ccccc2)s1,0,0.0,
+COC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1,0,0.0,
+COC(=O)Nc1nnc(Cc2ccccc2)s1,1,100.0,0.0
+COC(=O)Nc1nnc(SCc2ccc(C)cc2)s1,0,0.0,
+COC(=O)Nc1sc(C)nc1-c1ccccc1,0,0.0,
+COC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)C2,0,0.0,
+COC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2,0,0.0,
+COC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2,0,0.0,
+COC(=O)Nc1sc2c(c1C(N)=O)CCCCCC2,0,0.0,
+COC(=O)Nc1sccc1C(=O)Nc1sccc1C(=O)OC,0,0.0,
+COC(=O)Oc1c(Br)c(=O)oc2ccccc12,0,0.0,
+COC(=O)Oc1nsnc1N1CCOCC1,0,0.0,
+COC(=O)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2,0,0.0,
+COC(=O)Sc1nnc(-c2ccc(Br)cc2)o1,0,0.0,
+COC(=O)[C@@H](N)Cc1ccc(O)cc1,0,0.0,
+COC(=O)[C@@H](NC(=O)N(C1CCCCC1)C1CCCCC1)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)NC(C)CCc1ccccc1)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)NC1CCCc2ccccc21)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)NCc1cccc(OC)c1)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)NCc1ccccc1Cl)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)NCc1ccco1)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)NCc1cccs1)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)Nc1ccc(C(C)=O)cc1)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)Nc1ccc(OC)cc1)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(C)C,0,0.0,
+COC(=O)[C@@H](NC(=O)Nc1ccccc1F)C(C)C,1,100.0,
+COC(=O)[C@@H]1C2CCC(C(=O)Nc3ccccc3)(CC2)[C@@H]1C(=O)OC,0,0.0,
+COC(=O)[C@H](C(C)C)n1c(C)c(C(C)=O)c(C(C)=O)c1C,0,0.0,
+COC(=O)[C@H](C)NC(=O)NC1CCCc2ccccc21,0,0.0,
+COC(=O)[C@H](C)NC(=O)NCc1ccc(F)cc1,0,0.0,
+COC(=O)[C@H](C)NC(=O)NCc1ccccc1F,0,0.0,
+COC(=O)[C@H](C)NC(=O)NCc1ccco1,1,100.0,0.0
+COC(=O)[C@H](C)NC(=O)Nc1cc(OC)ccc1OC,1,100.0,0.0
+COC(=O)[C@H](C)NC(=O)Nc1ccc(C)c(C)c1,0,0.0,
+COC(=O)[C@H](C)NC(=O)Nc1ccc(OC(F)(F)F)cc1,0,0.0,
+COC(=O)[C@H](C)NC(=O)Nc1ccc(OC)c(OC)c1,0,0.0,
+COC(=O)[C@H](C)NC(=O)Nc1ccc(OC)cc1OC,0,0.0,
+COC(=O)[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+COC(=O)[C@H](C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1,1,100.0,
+COC(=O)[C@H](C)NC(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+COC(=O)[C@H](C)NC(=O)Nc1ccccc1C(F)(F)F,0,0.0,
+COC(=O)[C@H](C)NC(=O)Nc1ccccc1F,0,0.0,
+COC(=O)[C@H](CC(C)C)NC(=O)NC1CCCc2ccccc21,0,0.0,
+COC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+COC(=O)[C@H](CCSC)NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+COC(=O)[C@H](CCSC)NC(=O)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+COC(=O)[C@H](CCSC)NC(=O)NCCC1=CCCCC1,0,0.0,
+COC(=O)[C@H](CCSC)NC(=O)NCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+COC(=O)[C@H](CCSC)NC(=O)NCc1ccccn1,0,0.0,
+COC(=O)[C@H](CCSC)NC(=O)NCc1cccs1,0,0.0,
+COC(=O)[C@H](CCSC)NC(=O)Nc1cc(C)ccc1C,0,0.0,
+COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(C(C)=O)cc1,0,0.0,
+COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(C(C)C)cc1,0,0.0,
+COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(C)c(C)c1,0,0.0,
+COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(C)cc1,0,0.0,
+COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(C)cc1C,0,0.0,
+COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(C)OC(C)C1,0,0.0,
+COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCCC1C,0,0.0,
+COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+COC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1CCCO1,0,0.0,
+COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+COC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+COC(=O)[C@H]1C2CCC(C(=O)OC)(CC2)[C@H]1C(=O)OC,0,0.0,
+COC(=O)[C@H]1CCCN1C(=O)Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1,0,0.0,
+COC(=O)c1[nH]c(=O)c2ccccc2c1OCc1ccccc1,0,0.0,
+COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccccn2)c1C,0,0.0,
+COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cc(OC)ccc2OC)c1C,0,0.0,
+COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc(C)o2)c1C,0,0.0,
+COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc(OC)cc2)c1C,0,0.0,
+COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)c1C,0,0.0,
+COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccccc2OC)c1C,0,0.0,
+COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccco2)c1C,0,0.0,
+COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccc2OC)c1C,0,0.0,
+COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)c1C,0,0.0,
+COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)C2c2cccs2)c1C,0,0.0,
+COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)ccc1OC)C2,0,0.0,
+COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(C)cc1)C2,0,0.0,
+COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cccs1)C2,0,0.0,
+COC(=O)c1[nH]c2c(c1C)C(=O)CCC2,0,0.0,
+COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCCc2ccccc21,0,0.0,
+COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1,0,0.0,
+COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2ccccc2OC)CC1,0,0.0,
+COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1,0,0.0,
+COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1,0,0.0,
+COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cccc(OC)c1,0,0.0,
+COC(=O)c1[nH]c2cc(OC)ccc2c1N,0,0.0,
+COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCCC(C)(C)C1,0,0.0,
+COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCCCC1,0,0.0,
+COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCN(c2cccc(C)c2C)CC1,0,0.0,
+COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1,0,0.0,
+COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCC(C(N)=O)CC1,0,0.0,
+COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(c2cccc(C)c2)C(C)C1,0,0.0,
+COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCOCC1,0,0.0,
+COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1ccc2c(c1)OCO2,0,0.0,
+COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C(C)N1CCN(C2CCCCC2)CC1,0,0.0,
+COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCN(C2CCCCC2)CC1,1,100.0,1.0
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C(C)N1CCN(C2CCCCC2)CC1,0,0.0,
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C1=COCCO1,0,0.0,
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(C2CCCCC2)CC1,1,100.0,1.0
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(Cc2ccc3c(c2)OCO3)CC1,1,100.0,1.0
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCC(C)CC1,0,0.0,
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCC(C)(C)C1,0,0.0,
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCc2ccccc21,0,0.0,
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1,0,0.0,
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1,0,0.0,
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1,0,0.0,
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccccc2)CC1,0,0.0,
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1,0,0.0,
+COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)Nc1ccccc1OC,0,0.0,
+COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(F)c(C)c1,0,0.0,
+COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(F)cc1,0,0.0,
+COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C1CC1,0,0.0,
+COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCN(C2CCCCC2)CC1,1,100.0,1.0
+COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCOCC1,0,0.0,
+COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCC(C(N)=O)CC1,0,0.0,
+COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1,0,0.0,
+COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C1=COCCO1,0,0.0,
+COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCN(C(=O)c2ccco2)CC1,0,0.0,
+COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCN(Cc2ccc3c(c2)OCO3)CC1,1,100.0,1.0
+COC(=O)c1[nH]c2ccc(F)cc2c1NS(=O)(=O)c1ccc(OC)cc1OC,0,0.0,
+COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCCc2ccccc21,0,0.0,
+COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1,0,0.0,
+COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2ccccc2OC)CC1,0,0.0,
+COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN(C)C1CCCCC1,1,100.0,1.0
+COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCCCC1C,0,0.0,
+COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(CCO)CC1,0,0.0,
+COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CC(C)CC(C)C1,1,100.0,0.0
+COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCC(C(N)=O)CC1,0,0.0,
+COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCC(C)CC1,0,0.0,
+COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCN(c2ccccc2F)CC1,0,0.0,
+COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCN(c2ccccc2OC)CC1,0,0.0,
+COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CC2(C)CC1CC(C)(C)C2,0,0.0,
+COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1,0,0.0,
+COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(c2cccc(OC)c2)C(C)C1,0,0.0,
+COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCOCC1,0,0.0,
+COC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(C2CCCCC2)CC1,1,100.0,1.0
+COC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCSCC1,0,0.0,
+COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1,1,100.0,0.0
+COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCCCC1,0,0.0,
+COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCc2ccccc21,0,0.0,
+COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1,0,0.0,
+COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2cccc(OC)c2)C(C)C1,0,0.0,
+COC(=O)c1[nH]c2ccccc2c1NC(=O)CNC1CCCCC1,0,0.0,
+COC(=O)c1[nH]c2ccccc2c1NC(=O)Oc1ccccc1,0,0.0,
+COC(=O)c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(OC)cc1OC,0,0.0,
+COC(=O)c1[nH]cnc1C(=O)c1ccccc1,0,0.0,
+COC(=O)c1[nH]nc2c1C(=O)N(C1CCCCC1)C2=O,0,0.0,
+COC(=O)c1[nH]nc2c1C(=O)N(Cc1ccccc1)C2=O,0,0.0,
+COC(=O)c1c(-c2ccc(C)cc2)csc1N,0,0.0,
+COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccco1,0,0.0,
+COC(=O)c1c(-c2ccc(F)cc2)noc1N,0,0.0,
+COC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N,0,0.0,
+COC(=O)c1c(-c2cccc(C)c2)csc1N,0,0.0,
+COC(=O)c1c(-c2cccc(OC)c2)csc1N,0,0.0,
+COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccco1,0,0.0,
+COC(=O)c1c(-c2cccnc2)csc1NC(=O)c1cc(C)on1,0,0.0,
+COC(=O)c1c(-c2ccco2)csc1NC(=O)C1CC=CCC1C(=O)O,0,0.0,
+COC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCOCC1,0,0.0,
+COC(=O)c1c(-c2cccs2)csc1NC(=O)c1cccnc1,0,0.0,
+COC(=O)c1c(-c2ccncc2)csc1NC(=O)c1ccoc1C,0,0.0,
+COC(=O)c1c(-n2cnnn2)sc(C)c1C,0,0.0,
+COC(=O)c1c(=O)n(O)c2ccc(OC)cc2[n+]1[O-],0,0.0,
+COC(=O)c1c(C#N)c(N)nc2c1CCC2,0,0.0,
+COC(=O)c1c(C#N)c(N)nc2c1CCCC2,0,0.0,
+COC(=O)c1c(C(=O)NCc2ccccc2)ncn1CC(O)COc1ccccc1,0,0.0,
+COC(=O)c1c(C(=O)OC)c(C)n(Cc2cccnc2)c1C,0,0.0,
+COC(=O)c1c(C(=O)OC)c(C)n(Cc2ccco2)c1C,0,0.0,
+COC(=O)c1c(C(=O)OC)c2ccncn2c1Cl,0,0.0,
+COC(=O)c1c(C(=O)OC)c2n(c1C)CCC2,0,0.0,
+COC(=O)c1c(C(=O)OC)c2n(c1C)Cc1ccccc1C2,0,0.0,
+COC(=O)c1c(C(=O)OC)c2oc3ccccc3n2c1Cl,0,0.0,
+COC(=O)c1c(C(=O)OC)n(CCCN)c2ccc(C)cc12,0,0.0,
+COC(=O)c1c(C(C)=O)cnc2ccc(Br)cc12,0,0.0,
+COC(=O)c1c(C)[nH]c(C(=O)C(C)Sc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1C,0,0.0,
+COC(=O)c1c(C)[nH]c(C(=O)C(Cc2ccccc2)N(C)C)c1C,0,0.0,
+COC(=O)c1c(C)[nH]c(C(=O)CN2CCOCC2)c1C,0,0.0,
+COC(=O)c1c(C)[nH]c(C(=O)COC(=O)Cc2ccc3c(c2)OCCO3)c1C,0,0.0,
+COC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(F)cc2)c1C,0,0.0,
+COC(=O)c1c(C)[nH]c(C(C)=O)c1C,0,0.0,
+COC(=O)c1c(C)[nH]c(C)c1-c1ccccc1,0,0.0,
+COC(=O)c1c(C)[nH]c(C)c1-c1ccccc1Cl,0,0.0,
+COC(=O)c1c(C)cc(C)n2c1nc1ccccc12,0,0.0,
+COC(=O)c1c(C)cc(OC(C)=O)c(C)c1OC(C)=O,0,0.0,
+COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12,0,0.0,
+COC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12,0,0.0,
+COC(=O)c1c(C)n(Cc2ccc3c(c2)OCO3)c2ccc(O)cc12,0,0.0,
+COC(=O)c1c(C)nc2ccccc2c1C(=O)O,0,0.0,
+COC(=O)c1c(C)nn(-c2ccccc2)c1N,0,0.0,
+COC(=O)c1c(C)noc1-c1cc(C)on1,0,0.0,
+COC(=O)c1c(C)oc(C)c(C(=O)OC)c1=O,0,0.0,
+COC(=O)c1c(C)oc2cc(Br)c(OCC(=O)C(C)(C)C)cc12,1,100.0,0.0
+COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc12,0,0.0,
+COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12,0,0.0,
+COC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12,0,0.0,
+COC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc12,0,0.0,
+COC(=O)c1c(F)c(F)c(N2CCOCC2)c(F)c1F,0,0.0,
+COC(=O)c1c(F)c(F)c(NCCO)c(F)c1F,0,0.0,
+COC(=O)c1c(N)c(C#N)c(C)n1-c1ccccc1,0,0.0,
+COC(=O)c1c(N)c(C#N)c2n1CCCCC2,0,0.0,
+COC(=O)c1c(N)c2ccccc2[nH]c1=O,0,0.0,
+COC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc12,0,0.0,
+COC(=O)c1c(N)n(-c2ccc(N3CCOCC3)cc2)c2nc3ccccc3nc12,0,0.0,
+COC(=O)c1c(N)n(-c2ccc(NC(C)=O)cc2)c2nc3ccccc3nc12,0,0.0,
+COC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12,0,0.0,
+COC(=O)c1c(N)nc(C)n1-c1ccc(OC)cc1,0,0.0,
+COC(=O)c1c(N)sc(C(=O)N2CCOCC2)c1C,0,0.0,
+COC(=O)c1c(N)sc(C(C)=O)c1C,0,0.0,
+COC(=O)c1c(N2C(=O)CCC2=O)sc2c1CCCC2,0,0.0,
+COC(=O)c1c(N=CN(C)C)c(C#N)c2n1CCCC2,0,0.0,
+COC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2,0,0.0,
+COC(=O)c1c(NC(=O)C2CC2)sc2c1CCN(C(C)=O)C2,0,0.0,
+COC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc(C(N)=O)c1C,0,0.0,
+COC(=O)c1c(NC(=O)C2CCC2)sc(C(=O)N(C)C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)CC2NCCNC2=O)sc2c1CCCC2,0,0.0,
+COC(=O)c1c(NC(=O)CC2SCC(C(=O)OC)NC2=O)sc2c1CCCC2,0,0.0,
+COC(=O)c1c(NC(=O)CCCC(=O)O)sc(C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)CCN2CCOCC2)sc2c1CCCC2,0,0.0,
+COC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc(C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)CN2CCC(C(N)=O)CC2)c2c(C)cccc2n1C,0,0.0,
+COC(=O)c1c(NC(=O)CN2CCC(C)CC2)c2c(C)cccc2n1C,0,0.0,
+COC(=O)c1c(NC(=O)CN2CCCC(C)C2)c2c(C)cccc2n1C,0,0.0,
+COC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2c(C)cccc2n1C,0,0.0,
+COC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2cc(C)ccc2n1C,0,0.0,
+COC(=O)c1c(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)sc(C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)c2c(C)cccc2n1C,0,0.0,
+COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c2c(C)cccc2n1C,0,0.0,
+COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c2cc(C)ccc2n1C,0,0.0,
+COC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC(C)C2,0,0.0,
+COC(=O)c1c(NC(=O)COC(=O)Cn2cnc3ccccc32)sc(C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc(C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)sc(C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)sc(C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)sc(C)c1C,1,100.0,1.0
+COC(=O)c1c(NC(=O)CSc2nncs2)sc2c1CCCCC2,0,0.0,
+COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)sc(C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCC(C)C2,0,0.0,
+COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCCC2,0,0.0,
+COC(=O)c1c(NC(=O)CSc2nnnn2C)sc(C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)N2CCCCC2)c1C,0,0.0,
+COC(=O)c1c(NC(=O)Cc2cccs2)sc(C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCC(C)C2,0,0.0,
+COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCCC2,0,0.0,
+COC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CCCCCC2,0,0.0,
+COC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C)C2,0,0.0,
+COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccc(F)cc2)c1C,0,0.0,
+COC(=O)c1c(NC(=O)c2ccco2)sc(C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)c2ccco2)sc2c1C(C(=O)OC)CC2,0,0.0,
+COC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC(C)C2,0,0.0,
+COC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2,0,0.0,
+COC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCC2,0,0.0,
+COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2c1CCN(C(C)=O)C2,0,0.0,
+COC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc(C(=O)N(C)C)c1C,0,0.0,
+COC(=O)c1c(NC(=O)c2nn(C)cc2Cl)sc2c1CCCC2,0,0.0,
+COC(=O)c1c(NC(C)=O)sc2c1CCCC2,0,0.0,
+COC(=O)c1c(NS(=O)(=O)c2cccs2)sc2c1CCCC2,0,0.0,
+COC(=O)c1c(NS(C)(=O)=O)sc2c1CCCC2,0,0.0,
+COC(=O)c1c(O)ccc(Oc2ccccc2)c1C(=O)OC,0,0.0,
+COC(=O)c1c(S(N)(=O)=O)c2ccccc2n1C,0,0.0,
+COC(=O)c1c[nH]n2c(=O)c(Cc3ccc(F)cc3)c(C)nc12,0,0.0,
+COC(=O)c1c[nH]n2c(=O)c(Cc3ccc(F)cc3Cl)c(C)nc12,0,0.0,
+COC(=O)c1c[nH]n2c(=O)cc(C)nc12,0,0.0,
+COC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1,0,0.0,
+COC(=O)c1cc(-c2c(C)oc3cc(O)ccc3c2=O)c(C)o1,0,0.0,
+COC(=O)c1cc(-c2c(C)oc3cc(OC(C)C)ccc3c2=O)c(C)o1,0,0.0,
+COC(=O)c1cc(-c2c(C)oc3cc(OC)ccc3c2=O)c(C)o1,0,0.0,
+COC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1,0,0.0,
+COC(=O)c1cc(-c2ccc(Br)cc2)on1,0,0.0,
+COC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1,0,0.0,
+COC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1,0,0.0,
+COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12,0,0.0,
+COC(=O)c1cc(-c2cccc(OC)c2)n[nH]1,0,0.0,
+COC(=O)c1cc(-c2cccc(OC)c2)on1,0,0.0,
+COC(=O)c1cc(-c2ccccc2)n(CC(=O)O)c1C,0,0.0,
+COC(=O)c1cc(-c2ccccc2)n[nH]1,0,0.0,
+COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(C)on1,0,0.0,
+COC(=O)c1cc(/C=C/c2ccccc2)on1,0,0.0,
+COC(=O)c1cc(=O)[nH]c(SCc2cccc(C)c2)n1,0,0.0,
+COC(=O)c1cc(=O)c2ccc(OC)cc2o1,0,0.0,
+COC(=O)c1cc(=O)n(C2CC2)c(=NC2CC2)s1,0,0.0,
+COC(=O)c1cc(=O)n(Cc2ccc3c(c2)OCO3)c(=Nc2ccccc2)s1,0,0.0,
+COC(=O)c1cc(=O)n(Cc2ccco2)c(=Nc2ccc(F)c(Cl)c2)s1,0,0.0,
+COC(=O)c1cc(=O)n(Cc2cccs2)c(=NCc2cccs2)s1,0,0.0,
+COC(=O)c1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1,0,0.0,
+COC(=O)c1cc(=O)n2c(-c3ccccc3)csc2n1,0,0.0,
+COC(=O)c1cc(=O)nc2sc(-c3ccc(F)cc3)nn12,0,0.0,
+COC(=O)c1cc(=O)nc2sc(-c3ccccc3)nn12,0,0.0,
+COC(=O)c1cc(=O)nc2sc(-c3cccs3)nn12,0,0.0,
+COC(=O)c1cc(=O)nc2sc3ccccc3n12,0,0.0,
+COC(=O)c1cc(=O)nc2scc(C)n12,0,0.0,
+COC(=O)c1cc(=O)nc2sccn12,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(-c2cc(C)on2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(-c2ccc(C(C)=O)cc2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(-c2ccc(OC)cc2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(-c2ccccc2OC)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(-c2ccccn2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(-c2nccs2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(CC(C)C)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(CCC2=CCCCC2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(CCN(C(C)C)C(C)C)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(CCN2CCCCC2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(CCN2CCOCC2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(CCc2ccc(F)cc2)c1,1,100.0,0.0
+COC(=O)c1cc(Br)c(=O)n(CCc2ccccc2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(Cc2ccc(C(=O)O)cc2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(Cc2ccc(OC)c(OC)c2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(Cc2ccc3c(c2)OCO3)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(Cc2cccnc2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(Cc2ccco2)c1,0,0.0,
+COC(=O)c1cc(Br)c(=O)n(Cc2ccncc2)c1,0,0.0,
+COC(=O)c1cc(Br)ccc1-c1ccc(/C=N/n2nnnc2N)o1,1,100.0,0.0
+COC(=O)c1cc(Br)ccc1OC(=O)c1cccnc1,0,0.0,
+COC(=O)c1cc(C(=O)CSc2nc(C)cc(C)n2)ccc1O,0,0.0,
+COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CC#N)c2C)c1,0,0.0,
+COC(=O)c1cc(C(=O)OC)cc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)c1,0,0.0,
+COC(=O)c1cc(C(=O)OC)cc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)c1,0,0.0,
+COC(=O)c1cc(C(=O)OC)cc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)c1,0,0.0,
+COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(Cl)c(N)c2)c1,0,0.0,
+COC(=O)c1cc(C(=O)OC)n(Cc2ccc(F)cc2)n1,0,0.0,
+COC(=O)c1cc(C(O)(C(=O)OC)C(F)(F)F)c(/N=C/N(C)C)s1,0,0.0,
+COC(=O)c1cc(C)sc1NC(=O)CCCC(=O)O,0,0.0,
+COC(=O)c1cc(C)sc1NC(=O)c1cccnc1,0,0.0,
+COC(=O)c1cc(CC(=O)c2ccc(O)cc2O)c(C)o1,0,0.0,
+COC(=O)c1cc(COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)oc1C,0,0.0,
+COC(=O)c1cc(COC(=O)c2ccc3ccccc3n2)oc1C,0,0.0,
+COC(=O)c1cc(COC(=O)c2cccnc2SC)oc1C,0,0.0,
+COC(=O)c1cc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c(C)o1,0,0.0,
+COC(=O)c1cc(COc2ccc3c4c(c(=O)oc3c2)CCCC4)c(C)o1,0,0.0,
+COC(=O)c1cc(COc2ccc3ccc(=O)oc3c2)c(C)o1,0,0.0,
+COC(=O)c1cc(COc2ccc3oc(C)c(C(=O)OC)c3c2)c(C)o1,0,0.0,
+COC(=O)c1cc(CSc2nc3ccc(C)cc3[nH]2)oc1C,0,0.0,
+COC(=O)c1cc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)oc1C,0,0.0,
+COC(=O)c1cc(CSc2nnc(NC3CCCCC3)s2)oc1C,0,0.0,
+COC(=O)c1cc(Cc2ccc(N)c(C(=O)OC)c2)ccc1N,0,0.0,
+COC(=O)c1cc(Cl)c(N)cc1OC,0,0.0,
+COC(=O)c1cc(Cl)c(NC(=O)c2ccco2)cc1OC,0,0.0,
+COC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccccc2)cc1OC,0,0.0,
+COC(=O)c1cc(N2C(=O)C3C(C2=O)C2(C)C=CC3(C)O2)ccc1Cl,0,0.0,
+COC(=O)c1cc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)C2CC2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)C2CC=CCC2C(=O)O)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)C2CCCO2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)C2COc3ccccc3O2)cc(C(=O)OC)c1,1,100.0,0.0
+COC(=O)c1cc(NC(=O)C2COc3ccccc3O2)ccc1Cl,0,0.0,
+COC(=O)c1cc(NC(=O)CC2C(=O)NCCN2C(=O)c2ccccc2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)CC2NCCNC2=O)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)CC2SCCNC2=O)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)ccc1Cl,0,0.0,
+COC(=O)c1cc(NC(=O)CN2C(=O)CSC2=O)ccc1Cl,0,0.0,
+COC(=O)c1cc(NC(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)CN2CCOCC2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)ccc1Cl,0,0.0,
+COC(=O)c1cc(NC(=O)Cc2coc3cc(OC)ccc23)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)Cn2c(=O)cnc3ccccc32)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)c2c(Cl)nc3sccn23)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)c2ccoc2C)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC(=O)c2nccnc2C(=O)O)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC2c3ccccc3C(=O)N2CCN2CCOCC2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC2c3ccccc3C(=O)N2c2cccnc2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NC2c3ncccc3C(=O)N2Cc2ccccc2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NCc2c(F)cccc2Cl)ccc1N1CCOCC1,0,0.0,
+COC(=O)c1cc(NCc2ccc3c(c2)OCO3)ccc1N1CCOCC1,0,0.0,
+COC(=O)c1cc(NCc2ccccc2F)ccc1N1CCOCC1,0,0.0,
+COC(=O)c1cc(NCc2cccs2)ccc1N1CCOCC1,0,0.0,
+COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(NS(=O)(=O)c2coc(C(N)=O)c2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(Nc2cc(C)nc3ncnn23)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(Nc2ncnc3c2cnn3-c2ccccc2)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(O)c(OCc2ccccc2)c(O)c1,0,0.0,
+COC(=O)c1cc(OC)c(OC)c(OC)c1N,0,0.0,
+COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1-n1cnc2cc(OC)c(OC)cc2c1=O,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1N,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1N=CC1=C(O)CC(C)(C)CC1=O,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCO1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)CC1CCCCC1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCC1CCCC1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCCCN1C(=O)CCC1=O,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(C)o1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1CCCCC1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1CCOCC1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1nnc(-c2cccnc2)n1C,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1nnnn1Cc1ccccc1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1nnc(-c2ccccc2Cl)n1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccc(OC)cc1OC,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccccc1OC,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(-c2ccccc2)noc1C,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)noc1C,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C)on1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Br)o1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccnc1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccoc1C,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnccn1,0,0.0,
+COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1oc2ccccc2c1C,0,0.0,
+COC(=O)c1cc(OC)c(OCc2cc(C(=O)OC)oc2C)c(OC)c1,0,0.0,
+COC(=O)c1cc(Oc2ccc(C(=O)OC)cc2N)cc(C(=O)OC)c1,0,0.0,
+COC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,0,0.0,
+COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(N2CCOCC2)cc1N1CCOCC1,0,0.0,
+COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccccc1N,0,0.0,
+COC(=O)c1cc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cn1C,0,0.0,
+COC(=O)c1cc(S(=O)(=O)n2nc(C)cc2C)c(Cl)cc1Cl,0,0.0,
+COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2cccnc2)c1=N,0,0.0,
+COC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=N,0,0.0,
+COC(=O)c1cc2c(=O)n3ccccc3nc2n(C)c1=N,0,0.0,
+COC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N,0,0.0,
+COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1,0,0.0,
+COC(=O)c1cc2c([nH]c3ccccc32)c(C)n1,0,0.0,
+COC(=O)c1cc2c(cc1Cl)SC(=NCCCN1CCOCC1)NS2(=O)=O,0,0.0,
+COC(=O)c1cc2c(cc1NC(=O)CSCCc1ccccn1)OCO2,0,0.0,
+COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+COC(=O)c1cc2c(s1)-c1ccccc1OC2,0,0.0,
+COC(=O)c1cc2c(s1)C[S+]([O-])C2,0,0.0,
+COC(=O)c1cc2c(s1)N=C(c1ccccc1)N(C)P2(=O)N1CCOCC1,0,0.0,
+COC(=O)c1cc2c(s1)N=CN=P2(N1CCOCC1)N1CCOCC1,0,0.0,
+COC(=O)c1cc2ccc(OC)c(OC)c2c(=O)s1,0,0.0,
+COC(=O)c1cc2ccccc2c(=O)s1,0,0.0,
+COC(=O)c1cc2ccsc2n1CC(=O)N(C)c1ccccc1,0,0.0,
+COC(=O)c1cc2ccsc2n1CC(=O)N1CCCc2ccccc21,0,0.0,
+COC(=O)c1cc2ccsc2n1CC(=O)NCC1CCCO1,0,0.0,
+COC(=O)c1cc2ccsc2n1CC(=O)Nc1cc(C)cc(C)c1,0,0.0,
+COC(=O)c1cc2ccsc2n1CC(=O)Nc1cc(Cl)ccc1OC,0,0.0,
+COC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(N(C)C)cc1,0,0.0,
+COC(=O)c1cc2ccsc2n1Cc1cc(=O)n2ccccc2n1,1,100.0,1.0
+COC(=O)c1cc2ccsc2n1Cc1nc(-c2ccc(OC)cc2)oc1C,1,100.0,1.0
+COC(=O)c1cc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2n1,0,0.0,
+COC(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1,0,0.0,
+COC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1,0,0.0,
+COC(=O)c1cc2oc(C)cc2n1CC(=O)N(C)c1ccccc1,0,0.0,
+COC(=O)c1cc2oc(C)cc2n1CC(=O)N1CCCc2ccccc21,0,0.0,
+COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1cc(C)cc(C)c1,0,0.0,
+COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccc(C)c(C)c1,0,0.0,
+COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC,0,0.0,
+COC(=O)c1cc2oc3ccccc3c2n1CC(=O)Nc1ccccc1OC,0,0.0,
+COC(=O)c1cc2oc3ccccc3c2n1Cc1ccccn1,0,0.0,
+COC(=O)c1cc2occc2n1CC(=O)N(C)C1CCCCC1,0,0.0,
+COC(=O)c1cc2occc2n1CC(=O)Nc1cc(OC)cc(OC)c1,0,0.0,
+COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(C)cc1C,0,0.0,
+COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1,0,0.0,
+COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC,0,0.0,
+COC(=O)c1cc2occc2n1Cc1c(F)cccc1Cl,0,0.0,
+COC(=O)c1cc2sc(Cl)cc2n1CC(=O)N1CCCc2ccccc21,0,0.0,
+COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC,0,0.0,
+COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc1cccc(SC)c1,0,0.0,
+COC(=O)c1cc2sccc2n1CC(=O)N1CCCc2ccccc21,0,0.0,
+COC(=O)c1cc2sccc2n1CC(=O)Nc1cc(OC)cc(OC)c1,0,0.0,
+COC(=O)c1cc2sccc2n1CC(=O)Nc1cccc(SC)c1,0,0.0,
+COC(=O)c1cc2sccc2n1Cc1ccc(C)cc1,0,0.0,
+COC(=O)c1cc2sccc2n1Cc1nc(-c2ccc(OC)cc2)oc1C,1,100.0,0.0
+COC(=O)c1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)cc1,0,0.0,
+COC(=O)c1ccc(-c2ccc(C(=O)N3CCCN(C)CC3)cc2)cc1,0,0.0,
+COC(=O)c1ccc(-c2ccc(CNCC(O)c3ccccc3)o2)cc1,0,0.0,
+COC(=O)c1ccc(-c2ccco2)n1Cc1nc(-c2ccc(OC)c(OC)c2)oc1C,0,0.0,
+COC(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,0,0.0,
+COC(=O)c1ccc(-c2nc(-c3cccs3)no2)cc1,0,0.0,
+COC(=O)c1ccc(-c2nc(O)c3cnccn23)cc1,0,0.0,
+COC(=O)c1ccc(-c2nc3ccc(C)cc3o2)cc1,0,0.0,
+COC(=O)c1ccc(-c2nc3ccccc3o2)cc1,0,0.0,
+COC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1,0,0.0,
+COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)o1,0,0.0,
+COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)o1,0,0.0,
+COC(=O)c1ccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)cc1,0,0.0,
+COC(=O)c1ccc(-n2nnnc2SCC(=O)NCc2cccc(C(=O)O)c2)cc1,0,0.0,
+COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2cc(OC)ccc2OC)cc1,0,0.0,
+COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2OC)cc1,0,0.0,
+COC(=O)c1ccc(-n2nnnc2SCc2ccccc2OC)cc1,0,0.0,
+COC(=O)c1ccc(-n2nnnc2SCc2nn[nH]n2)cc1,0,0.0,
+COC(=O)c1ccc(/C(O)=C(\C#N)c2nc3ccccc3s2)cc1,1,100.0,
+COC(=O)c1ccc(/C=N/n2cnnc2)cc1,0,0.0,
+COC(=O)c1ccc(/C=N\n2c(C)nnc2C)cc1,0,0.0,
+COC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1,0,0.0,
+COC(=O)c1ccc(=O)n(Cc2ccc3c(c2)OCO3)c1,0,0.0,
+COC(=O)c1ccc(=O)n(Cc2ccco2)c1,0,0.0,
+COC(=O)c1ccc(C(=O)Nc2ccc(N)cc2N)cc1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(N)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCC(=O)O)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCc2ccc(C)o2)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(c3ccccc3)CC2)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccccc2OC)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc3c(c2)OCO3)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3ccccc3o2)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnc3n(c2=O)CCS3)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2oc(C)nc2C)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ocnc2C)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NC2=NS(=O)(=O)c3ccccc32)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)c(NS(C)(=O)=O)c1,0,0.0,
+COC(=O)c1ccc(C(=O)OC)nc1,0,0.0,
+COC(=O)c1ccc(C(=S)N2CCOCC2)cc1,0,0.0,
+COC(=O)c1ccc(C(C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2cnccn2)cc1,0,0.0,
+COC(=O)c1ccc(C(c2c(N)n(CC(C)C)c(=O)[nH]c2=O)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+COC(=O)c1ccc(C(c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)N2CCOCC2)cc1,0,0.0,
+COC(=O)c1ccc(C)c(N(CCO)CCO)c1,0,0.0,
+COC(=O)c1ccc(C)c(NC(=O)C2COc3ccccc3O2)c1,0,0.0,
+COC(=O)c1ccc(C)c(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1,0,0.0,
+COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1,0,0.0,
+COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1,0,0.0,
+COC(=O)c1ccc(C)c(NC(=O)Cc2coc3cc(OC)ccc23)c1,0,0.0,
+COC(=O)c1ccc(C)c(NC(=O)Cn2cnc3ccccc3c2=O)c1,0,0.0,
+COC(=O)c1ccc(C)c(NC(=O)c2c(-c3ccccc3)noc2C)c1,0,0.0,
+COC(=O)c1ccc(C)c(NC(=O)c2nn(C)c(=O)c3ccccc23)c1,0,0.0,
+COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,0,0.0,
+COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1,0,0.0,
+COC(=O)c1ccc(C2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1,0,0.0,
+COC(=O)c1ccc(C2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CC2CCCO2)cc1,0,0.0,
+COC(=O)c1ccc(C2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1,0,0.0,
+COC(=O)c1ccc(C2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1,0,0.0,
+COC(=O)c1ccc(C2/C(=C(\O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2cc(C)on2)cc1,0,0.0,
+COC(=O)c1ccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)cc1,0,0.0,
+COC(=O)c1ccc(C2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2CCCN(C)C)cc1,0,0.0,
+COC(=O)c1ccc(C2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1,0,0.0,
+COC(=O)c1ccc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1,0,0.0,
+COC(=O)c1ccc(C2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1,0,0.0,
+COC(=O)c1ccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1,0,0.0,
+COC(=O)c1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1,0,0.0,
+COC(=O)c1ccc(C2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)cc1,0,0.0,
+COC(=O)c1ccc(C2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1,0,0.0,
+COC(=O)c1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1,0,0.0,
+COC(=O)c1ccc(C2C(C(C)=O)=C(C)Nc3ncnn32)cc1,0,0.0,
+COC(=O)c1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCO)cc1,0,0.0,
+COC(=O)c1ccc(C2C3=C(Nc4nnnn42)c2ccccc2OC3)cc1,1,100.0,0.0
+COC(=O)c1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1,0,0.0,
+COC(=O)c1ccc(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)cc1,0,0.0,
+COC(=O)c1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1,0,0.0,
+COC(=O)c1ccc(C2NC(=O)NC(C)=C2C(=O)N(C)C)cc1,0,0.0,
+COC(=O)c1ccc(C2NC(C(=O)O)CS2)cc1,0,0.0,
+COC(=O)c1ccc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)cc1,1,100.0,1.0
+COC(=O)c1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1,0,0.0,
+COC(=O)c1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCO)cc1,0,0.0,
+COC(=O)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,0,0.0,
+COC(=O)c1ccc(CC(=O)c2c(C)cc(O)cc2O)o1,0,0.0,
+COC(=O)c1ccc(CC(=O)c2ccc(O)cc2O)o1,0,0.0,
+COC(=O)c1ccc(CN(C(C)=O)c2ccccc2)o1,0,0.0,
+COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)o1,0,0.0,
+COC(=O)c1ccc(CN(Cc2ccc(C(=O)OC)o2)C(C)(C)C)o1,0,0.0,
+COC(=O)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)o1,0,0.0,
+COC(=O)c1ccc(CN(c2ccccc2OC)S(=O)(=O)c2cccs2)o1,0,0.0,
+COC(=O)c1ccc(CN2C(=O)NC3(CCC(C)CC3)C2=O)o1,0,0.0,
+COC(=O)c1ccc(CN2C(=O)NC3(CCCCC3C)C2=O)o1,0,0.0,
+COC(=O)c1ccc(CN2C(=O)NC3(CCCc4ccccc43)C2=O)o1,0,0.0,
+COC(=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1,0,0.0,
+COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)o3)CC2)o1,0,0.0,
+COC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,1,100.0,1.0
+COC(=O)c1ccc(CNC(=O)CNc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1,0,0.0,
+COC(=O)c1ccc(CNC(=O)COc2ccccc2Br)o1,0,0.0,
+COC(=O)c1ccc(CNC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)o1,0,0.0,
+COC(=O)c1ccc(CNC(=O)CSc2nnc(C)n2Cc2ccccc2)o1,0,0.0,
+COC(=O)c1ccc(CNC(=O)CSc2nnc(COc3ccccc3)n2C)o1,0,0.0,
+COC(=O)c1ccc(COC(=O)C23CC4CC(CC(O)(C4)C2)C3)o1,0,0.0,
+COC(=O)c1ccc(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)o1,0,0.0,
+COC(=O)c1ccc(COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)o1,0,0.0,
+COC(=O)c1ccc(COC(=O)c2ccc(-n3cnnn3)cc2)o1,0,0.0,
+COC(=O)c1ccc(COC(=O)c2ccc(N(C)C)cc2)cc1,0,0.0,
+COC(=O)c1ccc(COC(=O)c2ccccn2)cc1,0,0.0,
+COC(=O)c1ccc(COc2cc(C)cc3oc(=O)c4c(c23)CCCC4)o1,0,0.0,
+COC(=O)c1ccc(COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1,0,0.0,
+COC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)cc1,0,0.0,
+COC(=O)c1ccc(COc2ccc(C3C4=C(CCCC4=O)Nc4onc(C)c43)cc2)cc1,0,0.0,
+COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1,0,0.0,
+COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)o1,0,0.0,
+COC(=O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)o1,0,0.0,
+COC(=O)c1ccc(COc2cccc(OC)c2)o1,1,100.0,0.0
+COC(=O)c1ccc(COc2nc(C)cc(C)c2C#N)o1,0,0.0,
+COC(=O)c1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)o1,0,0.0,
+COC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1,0,0.0,
+COC(=O)c1ccc(CSCC(=O)Nc2cc(OC)cc(OC)c2)o1,0,0.0,
+COC(=O)c1ccc(CSc2ccc3nnc(-c4ccc(OC)c(OC)c4)n3n2)o1,0,0.0,
+COC(=O)c1ccc(CSc2ccc3nnc(-c4cccc(F)c4)n3n2)o1,1,100.0,1.0
+COC(=O)c1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)o1,0,0.0,
+COC(=O)c1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)o1,0,0.0,
+COC(=O)c1ccc(CSc2ccccc2C)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc(-c3ccc(OC)cc3)nc3c2c(=O)n(C)c(=O)n3C)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc(-c3ccccc3)cs2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc(C(F)(F)F)c3c(c2C#N)CCC3)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)o1,1,100.0,1.0
+COC(=O)c1ccc(CSc2nc(C)nc3sc(C)c(C)c23)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc(N)cc(N)n2)cc1,0,0.0,
+COC(=O)c1ccc(CSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccc(C)cc2)SCC3)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[nH]2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3ccccc3o2)cc1,0,0.0,
+COC(=O)c1ccc(CSc2nc3ccccc3s2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)o1,0,0.0,
+COC(=O)c1ccc(CSc2nc3scc(-c4cccs4)c3c(=O)[nH]2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nccn2C)cc1,0,0.0,
+COC(=O)c1ccc(CSc2ncn[nH]2)o1,0,0.0,
+COC(=O)c1ccc(CSc2ncnc3c2nnn3-c2ccc(F)cc2)o1,0,0.0,
+COC(=O)c1ccc(CSc2ncnc3c2nnn3-c2ccc(OC)cc2)o1,0,0.0,
+COC(=O)c1ccc(CSc2ncnc3c2oc2ccccc23)o1,0,0.0,
+COC(=O)c1ccc(CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)o1,0,0.0,
+COC(=O)c1ccc(CSc2ncnc3ccccc23)o1,0,0.0,
+COC(=O)c1ccc(CSc2ncnc3sc(C)c(C)c23)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc(-c3ccncc3)o2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc(CNC(=O)c3ccccc3F)o2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc(CNC(=O)c3cccs3)o2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc(N)s2)cc1,0,0.0,
+COC(=O)c1ccc(CSc2nnc(NCc3ccccc3)s2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc(Nc3ccccc3OC)s2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc(SCc3ccc(C(=O)OC)o3)s2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc3c(Cl)cc(Cl)cn23)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc3ccccn23)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc3n(Cc4ccccc4OC)c(=O)c4ccccc4n23)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnc3sc4ccccc4n23)o1,0,0.0,
+COC(=O)c1ccc(CSc2nncn2C)cc1,0,0.0,
+COC(=O)c1ccc(CSc2nnnn2-c2ccc(C)cc2C)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnnn2-c2ccccc2)o1,0,0.0,
+COC(=O)c1ccc(CSc2nnnn2C)o1,1,100.0,1.0
+COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1,0,0.0,
+COC(=O)c1ccc(Cc2ccc(C(=O)OC)o2)o1,0,0.0,
+COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1,0,0.0,
+COC(=O)c1ccc(Cl)c(NC(=O)CN2CCCC2)c1,0,0.0,
+COC(=O)c1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1,0,0.0,
+COC(=O)c1ccc(Cl)c(NC(=O)CN2CCOCC2)c1,0,0.0,
+COC(=O)c1ccc(Cl)c(NC(=O)CSc2ncn[nH]2)c1,0,0.0,
+COC(=O)c1ccc(Cl)c(NC(=O)NC2CCCCC2)c1,0,0.0,
+COC(=O)c1ccc(Cl)c(NC(C)=O)c1,0,0.0,
+COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1,0,0.0,
+COC(=O)c1ccc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)o1,0,0.0,
+COC(=O)c1ccc(Cn2c(O)c(N=O)c3ccccc32)o1,0,0.0,
+COC(=O)c1ccc(Cn2cc(Cl)cn2)cc1,0,0.0,
+COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)o1,0,0.0,
+COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)o1,0,0.0,
+COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)o1,0,0.0,
+COC(=O)c1ccc(Cn2cnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)o1,0,0.0,
+COC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1,0,0.0,
+COC(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1,0,0.0,
+COC(=O)c1ccc(Cn2nnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)o1,0,0.0,
+COC(=O)c1ccc(Cn2nnc3ccccc3c2=O)o1,0,0.0,
+COC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2ccco2)cc1,0,0.0,
+COC(=O)c1ccc(N/C(C)=C/C(=O)c2ccc(C)o2)cc1,0,0.0,
+COC(=O)c1ccc(N2C(=O)CC(N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1,0,0.0,
+COC(=O)c1ccc(N2C(=O)CC(N(C)Cc3ccccc3)C2=O)cc1,0,0.0,
+COC(=O)c1ccc(N2C(=O)CC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)cc1,0,0.0,
+COC(=O)c1ccc(N2C(=O)CC(N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1,0,0.0,
+COC(=O)c1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1,0,0.0,
+COC(=O)c1ccc(N2C(=O)CC(NCc3ccccc3)C2=O)cc1,0,0.0,
+COC(=O)c1ccc(N2C(=O)CC(SCCN)C2=O)cc1,0,0.0,
+COC(=O)c1ccc(N2C(=O)CC(Sc3n[nH]c(C)n3)C2=O)cc1,0,0.0,
+COC(=O)c1ccc(N2C(=O)c3ccc(OC)c(OC)c3C2=O)cc1,0,0.0,
+COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(OC)cc2)c1,0,0.0,
+COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc3ccccc3o2)c1,0,0.0,
+COC(=O)c1ccc(N2CCOCC2)c(NC(=O)Nc2cccc(OC)c2)c1,0,0.0,
+COC(=O)c1ccc(N=c2sc(C(=O)OC)cc(=O)n2C)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)C2C3C=CC(O3)C2C(=O)O)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)C2CC(=O)N(c3cc(C)ccc3C)C2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(OC)cc2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CCN2CCCCC2)cc1,1,100.0,1.0
+COC(=O)c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CCn2cccc2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,1,100.0,0.0
+COC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CN2C(=O)CSC2=O)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CN2CCCC2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CN2CCOCC2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)c(C)c1,0,0.0,
+COC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)Cn2nc(SC)n(N)c2=S)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)N2CCOCC2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1,1,100.0,
+COC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1,0,0.0,
+COC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1,0,0.0,
+COC(=O)c1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1,0,0.0,
+COC(=O)c1ccc(NC2=CC(=O)CC(C)(C)C2)cc1,0,0.0,
+COC(=O)c1ccc(NCC(=O)c2ccccc2)cc1,0,0.0,
+COC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1,0,0.0,
+COC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1,0,0.0,
+COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1,0,0.0,
+COC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1,0,0.0,
+COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,0,0.0,
+COC(=O)c1ccc(Nc2cc(C)nc(-c3ccccc3O)n2)cc1,0,0.0,
+COC(=O)c1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0,0.0,
+COC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1,0,0.0,
+COC(=O)c1ccc(Nc2nc(C)cc(=O)[nH]2)cc1,0,0.0,
+COC(=O)c1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1,0,0.0,
+COC(=O)c1ccc(O)c(Sc2cc(C(=O)OC)ccc2O)c1,0,0.0,
+COC(=O)c1ccc(OC(=O)C2CC(=O)N(c3ccc(C)cc3C)C2)cc1,0,0.0,
+COC(=O)c1ccc(OC(=O)C2CC(=O)N(c3cccc(C)c3)C2)cc1,0,0.0,
+COC(=O)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1,0,0.0,
+COC(=O)c1ccc(OC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1,0,0.0,
+COC(=O)c1ccc(OC(=O)c2ccccn2)cc1,0,0.0,
+COC(=O)c1ccc(OC(=O)c2ccco2)cc1,0,0.0,
+COC(=O)c1ccc(OC)c(CSc2nnc(-c3ccc(C)cc3)o2)c1,0,0.0,
+COC(=O)c1ccc(OC)c(CSc2nnc(COc3ccc(OC)cc3)o2)c1,0,0.0,
+COC(=O)c1ccc(OC)c(CSc2nnc(COc3cccc(C)c3)o2)c1,0,0.0,
+COC(=O)c1ccc(OC)c(CSc2nnc(COc3ccccc3)o2)c1,0,0.0,
+COC(=O)c1ccc(OCC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)cc1,0,0.0,
+COC(=O)c1ccc(OCC(=O)c2ccc(O)cc2O)cc1,0,0.0,
+COC(=O)c1ccc(OCC(O)CN(CC(C)C)CC(C)C)cc1,0,0.0,
+COC(=O)c1ccc(OCC(O)CN(CCO)CCO)cc1,0,0.0,
+COC(=O)c1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1,0,0.0,
+COC(=O)c1ccc(OCC(O)CN2CCC(C)CC2)cc1,1,100.0,0.0
+COC(=O)c1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)C2CC2)cc1,0,0.0,
+COC(=O)c1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccco2)cc1,1,100.0,
+COC(=O)c1ccc(OCCN2C3=NCCN3c3ccccc32)cc1,1,100.0,1.0
+COC(=O)c1ccc(OCCn2cnc3ccccc3c2=O)cc1,0,0.0,
+COC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1,0,0.0,
+COC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1,0,0.0,
+COC(=O)c1ccc(Oc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,0,0.0,
+COC(=O)c1ccc(Oc2cc(C)nc(NCc3ccccc3)n2)cc1,0,0.0,
+COC(=O)c1ccc(Oc2cc(C)nc(SC)n2)cc1,0,0.0,
+COC(=O)c1ccc(Oc2ccc3nnc(C)n3n2)cc1,0,0.0,
+COC(=O)c1ccc(Oc2nc(C)cc(Oc3ccccc3)n2)cc1,0,0.0,
+COC(=O)c1ccc(Oc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1,1,100.0,0.0
+COC(=O)c1ccc(Oc2nc(NC(C)C)nc(N(C)C)n2)cc1,0,0.0,
+COC(=O)c1ccc(Oc2nc(NC(C)C)nc(SC)n2)cc1,0,0.0,
+COC(=O)c1ccc(Oc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1,0,0.0,
+COC(=O)c1ccc(Oc2nc(Nc3ccccc3)nc(N(C)C)n2)cc1,0,0.0,
+COC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2CCC(C)C)cc1,0,0.0,
+COC(=O)c1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1,0,0.0,
+COC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCCC2)cc1,0,0.0,
+COC(=O)c1ccc(S(=O)(=O)N2C3CCC2CC(NC(=O)NC2CCCCC2)C3)cc1,0,0.0,
+COC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1,0,0.0,
+COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+COC(=O)c1ccc(S(=O)(=O)NCCSc2nnc3c4ccccc4n(C)c3n2)cc1,0,0.0,
+COC(=O)c1ccc(S(=O)(=O)NCc2cccc(OC)c2)n1C,0,0.0,
+COC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC)s2)s1,0,0.0,
+COC(=O)c1ccc(Sc2ccc(C)cc2)c(N)c1,0,0.0,
+COC(=O)c1ccc2[nH]c(C)c(CN3CCCC3)c(=O)c2c1,0,0.0,
+COC(=O)c1ccc2[nH]c(C)cc(=O)c2c1,1,100.0,1.0
+COC(=O)c1ccc2c(=O)[nH]c(CN3c4ccccc4CC3C)nc2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(C3CCCCC3)c(SCC#N)nc2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(CC3CCCO3)c(=S)[nH]c2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(CC3CCCO3)c(SCC(=O)Nc3ccccc3OC)nc2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(CCC3=CCCCC3)c(SCC(=O)N3CCCC3)nc2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(CCCCCC(=O)NCc3ccccn3)c(=O)[nH]c2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(CCCN3CCCC3=O)c(=S)[nH]c2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(CCCN3CCOCC3)c(=S)[nH]c2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(CCN3CCOCC3)c(=S)[nH]c2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(CCN3CCOCC3)c(SCC(=O)NC3CCCCC3)nc2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(CCN3CCOCC3)c(SCC(=O)c3ccccc3)nc2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(CCO)c(=S)[nH]c2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(SCC(=O)N3CCCC3)nc2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3ccccc3Cl)nc2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n(NC(C)=O)c(=S)[nH]c2c1,0,0.0,
+COC(=O)c1ccc2c(=O)n3c(nc2c1)SCC(c1ccccc1)=N3,0,0.0,
+COC(=O)c1ccc2c(=O)sc(N3CCC(C(N)=O)CC3)nc2c1,0,0.0,
+COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,0,0.0,
+COC(=O)c1ccc2c(c1)N(C)CCS2,0,0.0,
+COC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S+]2[O-],0,0.0,
+COC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S+]2[O-],0,0.0,
+COC(=O)c1ccc2c(c1)N(Cc1nc(-c3ccc(Cl)cc3)oc1C)C(=O)C1CCCN21,0,0.0,
+COC(=O)c1ccc2c(c1)N(Cc1nc(-c3cccc(C)c3)oc1C)C(=O)C1CCCN21,0,0.0,
+COC(=O)c1ccc2c(c1)N(Cc1nc(-c3cccc(Cl)c3)oc1C)C(=O)C1CCCN21,0,0.0,
+COC(=O)c1ccc2c(c1)NC(=O)C(N1CCCC1)S2,0,0.0,
+COC(=O)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2,0,0.0,
+COC(=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2,0,0.0,
+COC(=O)c1ccc2c(c1)NC(=O)C1CCCN21,0,0.0,
+COC(=O)c1ccc2c(c1)NC1=C(C(=O)CC(C)(C)C1)C(c1ccncc1)N2,0,0.0,
+COC(=O)c1ccc2c(c1)S(=O)(=O)NC(=NCCCN1CCOCC1)S2,0,0.0,
+COC(=O)c1ccc2c(c1)S(=O)(=O)NC(=NCc1ccco1)S2,0,0.0,
+COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2,0,0.0,
+COC(=O)c1ccc2c(c1)nc(C)n2CCO,0,0.0,
+COC(=O)c1ccc2ccn(CC(=O)NC(C)C)c2c1,0,0.0,
+COC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1,0,0.0,
+COC(=O)c1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1,0,0.0,
+COC(=O)c1ccc2ncccc2c1,0,0.0,
+COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)c1,0,0.0,
+COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)c1,0,0.0,
+COC(=O)c1cccc(C(=O)Nc2ccc(C)cc2)n1,0,0.0,
+COC(=O)c1cccc(C(=O)Nc2ccc(C)cc2Br)n1,0,0.0,
+COC(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)n1,0,0.0,
+COC(=O)c1cccc(C(=O)Oc2cccc(Br)c2)n1,0,0.0,
+COC(=O)c1cccc(COC(=O)CNC(=O)c2ccco2)c1,0,0.0,
+COC(=O)c1cccc(COC(=O)c2ccccc2NC(=O)c2ccco2)c1,0,0.0,
+COC(=O)c1cccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c1,0,0.0,
+COC(=O)c1cccc(CSc2nnc(C)s2)c1,0,0.0,
+COC(=O)c1cccc(Cn2nnc3ccccc3c2=O)c1,0,0.0,
+COC(=O)c1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)c1,0,0.0,
+COC(=O)c1cccc(N(C(=O)c2cnccn2)C(C(=O)NCc2ccccc2)c2ccco2)c1,0,0.0,
+COC(=O)c1cccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1,0,0.0,
+COC(=O)c1cccc(N2C(=O)c3ccccc3S2(=O)=O)c1,0,0.0,
+COC(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)C2C3CCC(C3)C2C(=O)O)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1C,0,0.0,
+COC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1C,0,0.0,
+COC(=O)c1cccc(NC(=O)CN2CCC(NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)CN2CCOCC2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)CSc2nc3cccnc3n2C)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)CSc2ncn[nH]2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)CSc2nnnn2C)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)Cn2nnc3ccccc32)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)c2cc3sccc3n2C)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)c2cccc(OC)c2)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1,0,0.0,
+COC(=O)c1cccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1,0,0.0,
+COC(=O)c1cccc(NC2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)c1,0,0.0,
+COC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1C,0,0.0,
+COC(=O)c1cccc(Nc2cc(C)nc(-c3ccccc3O)n2)c1,0,0.0,
+COC(=O)c1cccc(Nc2nc3ccccc3nc2C)c1,0,0.0,
+COC(=O)c1cccc(OC(N)=O)c1,0,0.0,
+COC(=O)c1cccc(OCC(O)Cn2ccnc2)c1,0,0.0,
+COC(=O)c1cccc(OCC(O)Cn2cnc3cc(C)c(C)cc32)c1,0,0.0,
+COC(=O)c1cccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1,0,0.0,
+COC(=O)c1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)c1,0,0.0,
+COC(=O)c1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)c1,0,0.0,
+COC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3ccc(OC)cc3[nH]c2=O)c1,0,0.0,
+COC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,0,0.0,
+COC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1,0,0.0,
+COC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccc(F)c3)CC2)c1,0,0.0,
+COC(=O)c1cccc(S(=O)(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1,0,0.0,
+COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+COC(=O)c1cccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)c1,0,0.0,
+COC(=O)c1cccc2c1-c1ccccc1/C2=N/O,0,0.0,
+COC(=O)c1ccccc1-n1c(C)nc2ccccc2c1=O,0,0.0,
+COC(=O)c1ccccc1CCC(C)=O,0,0.0,
+COC(=O)c1ccccc1COn1c(=O)c(C)[n+]([O-])c2ccccc21,0,0.0,
+COC(=O)c1ccccc1COn1c(=O)c[n+]([O-])c2ccccc21,0,0.0,
+COC(=O)c1ccccc1N(C)C(=O)C12CCC(C)(C(=O)O1)C2(C)C,0,0.0,
+COC(=O)c1ccccc1N(C)S(C)(=O)=O,0,0.0,
+COC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O,0,0.0,
+COC(=O)c1ccccc1N1C(=O)C2C(C1=O)[C@H]1C=C[C@@H]2C1,0,0.0,
+COC(=O)c1ccccc1N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C1=O,0,0.0,
+COC(=O)c1ccccc1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NO[C@@H]2C1=O,0,0.0,
+COC(=O)c1ccccc1N=C(SC)N(C)C,0,0.0,
+COC(=O)c1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccc(OC)cc1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C(C)Oc1ccccc1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C(CCS(C)(=O)=O)NC(C)=O,0,0.0,
+COC(=O)c1ccccc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CC(=O)N(C2CCCCC2)C1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2)C1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CC(c2ccc(F)cc2)=NO1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CC(c2ccccc2O)=NO1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CC=CCC1C(=O)O,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CCCC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CCCCC1C(=O)O,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CC#N,0,0.0,
+COC(=O)c1ccccc1NC(=O)CC(NCc1ccccc1)C(=O)O,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C,1,100.0,
+COC(=O)c1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc21,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN1C(=O)CSC1=O,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccc(C)cc2)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2C)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1,1,100.0,0.0
+COC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1,1,100.0,1.0
+COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccco1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)COC(=O)CSCC(=O)N1CCOCC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1,0,0.0,
+COC(=O)c1ccccc1NC(=O)COC(=O)c1cccnc1,0,0.0,
+COC(=O)c1ccccc1NC(=O)COC(=O)c1ccco1,0,0.0,
+COC(=O)c1ccccc1NC(=O)COC(C)=O,0,0.0,
+COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)COc1ccccc1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1ccccn1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(CC(C)C)n1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(N)n1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nc(NC(=O)c2ccccc2)c2c(C)c(C)oc2n1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nccn1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccc(NC(C)=O)c2)n1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)o1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nnc(C(CO)NC(=O)c2ccccc2)n1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(C)cc2)n1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2cccc(OC)c2)n1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)o1,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)cc1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCCC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21,0,0.0,
+COC(=O)c1ccccc1NC(=O)Cn1c(=O)oc2ccc(Cl)cc21,0,0.0,
+COC(=O)c1ccccc1NC(=O)Cn1c(SC)c(F)cnc1=O,1,100.0,
+COC(=O)c1ccccc1NC(=O)Cn1cc(Br)cn1,0,0.0,
+COC(=O)c1ccccc1NC(=O)Cn1cc2c(n1)CCC(C)C2,0,0.0,
+COC(=O)c1ccccc1NC(=O)Cn1ccnc1,0,0.0,
+COC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O,0,0.0,
+COC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COC(=O)c1ccccc1NC(=O)Cn1cnc2cc(C)c(C)cc21,0,0.0,
+COC(=O)c1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2,0,0.0,
+COC(=O)c1ccccc1NC(=O)N1CCCC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)N1CCN(C/C=C/c2ccccc2)CC1,1,100.0,0.0
+COC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)N1CSC[C@H]1C(=O)OC,0,0.0,
+COC(=O)c1ccccc1NC(=O)N1c2ccccc2CC1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+COC(=O)c1ccccc1NC(=O)NCC1CCCO1,1,100.0,0.0
+COC(=O)c1ccccc1NC(=O)NCc1ccc(OC)c(OC)c1,0,0.0,
+COC(=O)c1ccccc1NC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+COC(=O)c1ccccc1NC(=O)NCc1ccccn1,0,0.0,
+COC(=O)c1ccccc1NC(=O)NCc1cccnc1,0,0.0,
+COC(=O)c1ccccc1NC(=O)NCc1ccco1,0,0.0,
+COC(=O)c1ccccc1NC(=O)Nc1cc(C)cc(C)n1,0,0.0,
+COC(=O)c1ccccc1NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1,0,0.0,
+COC(=O)c1ccccc1NC(=O)Nc1cccnc1,0,0.0,
+COC(=O)c1ccccc1NC(=O)Nc1cccs1,0,0.0,
+COC(=O)c1ccccc1NC(=O)Nc1cnccn1,0,0.0,
+COC(=O)c1ccccc1NC(=O)Nc1nnc(N2CCCCC2C)s1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1c(O)c2c([nH]c1=O)CCCC2,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)on1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1cc(-c2cccs2)on1,1,100.0,0.0
+COC(=O)c1ccccc1NC(=O)c1cc(C2CC2)on1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1cc(OC)cc(OC)c1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1cc2n(n1)C(C(F)F)CC(C(F)F)N2,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1cc2ncc(Br)cn2n1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1cc2sccc2n1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2)o1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1ccccc1OC,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1ccco1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1cccs1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1cnc2sccn2c1=O,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1cncc(Br)c1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1noc2c1CC(C(C)(C)C)CC2,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1noc2c1CCC2,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1noc2c1CCCC2,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1sc(=S)n(C)c1N,0,0.0,
+COC(=O)c1ccccc1NC(=O)c1sc(N)nc1C,0,0.0,
+COC(=O)c1ccccc1NC(=O)n1cc(C)cn1,0,0.0,
+COC(=O)c1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccc(C)cc1,0,0.0,
+COC(=O)c1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccccc1,0,0.0,
+COC(=O)c1ccccc1NC1OC(=O)c2ccccc21,0,0.0,
+COC(=O)c1ccccc1NC1c2ccccc2C(=O)N1c1cccnc1,0,0.0,
+COC(=O)c1ccccc1NC=C1C(=O)OC2(CCCCC2)OC1=O,0,0.0,
+COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1,0,0.0,
+COC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)O)c1,0,0.0,
+COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,0,0.0,
+COC(=O)c1ccccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,0,0.0,
+COC(=O)c1ccccc1Nc1cc(C)nc2nc(C)nn12,0,0.0,
+COC(=O)c1ccccc1Nc1ccccc1,0,0.0,
+COC(=O)c1ccccc1OC(=O)c1ccc(Br)o1,1,100.0,0.0
+COC(=O)c1ccccc1OCC(=O)NC1CCCCC1,0,0.0,
+COC(=O)c1ccccc1OCc1cccc(C)n1,0,0.0,
+COC(=O)c1ccccc1OP1(=O)COc2ccccc2OC1,0,0.0,
+COC(=O)c1ccccc1S(=O)(=O)N(CCCN1CCOCC1)Cc1cccs1,0,0.0,
+COC(=O)c1ccccc1S(=O)(=O)N(CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O,0,0.0,
+COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1,0,0.0,
+COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2ccc(OC)cc2[nH]c1=O)CC1CCCO1,0,0.0,
+COC(=O)c1ccccc1S(=O)(=O)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O,0,0.0,
+COC(=O)c1ccccc1S(=O)(=O)N1CCC(c2nc3ccccc3o2)CC1,0,0.0,
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccccc1,0,0.0,
+COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)nc1,0,0.0,
+COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2cn[nH]c2c1,0,0.0,
+COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2ccc(Cl)cc2)c1=O,0,0.0,
+COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2cccc(OC)c2)c1=O,0,0.0,
+COC(=O)c1ccn(C(=O)c2ccc(Cl)cc2)n1,0,0.0,
+COC(=O)c1ccnc(/C=N/O)c1,0,0.0,
+COC(=O)c1ccsc1NC(=O)C1=COCCO1,0,0.0,
+COC(=O)c1ccsc1NC(=O)C1COc2ccccc2O1,0,0.0,
+COC(=O)c1ccsc1NC(=O)CN1C(=O)CCC1=O,0,0.0,
+COC(=O)c1ccsc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1,0,0.0,
+COC(=O)c1ccsc1NC(=O)CSc1nnnn1-c1ccccc1SC,0,0.0,
+COC(=O)c1ccsc1NC(=O)CSc1nnnn1Cc1ccccc1,0,0.0,
+COC(=O)c1ccsc1NC(=O)c1ccc(Cl)s1,0,0.0,
+COC(=O)c1ccsc1NC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+COC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1,0,0.0,
+COC(=O)c1cn(-c2ccccc2)nc1C(=O)OC,0,0.0,
+COC(=O)c1cn(C(=O)OC)c2ccccc12,0,0.0,
+COC(=O)c1cn(C(=O)c2ccc(Br)o2)c2ccccc12,0,0.0,
+COC(=O)c1cn(C(=O)c2ccccc2F)nc1N,0,0.0,
+COC(=O)c1cn(C(=O)c2ccco2)c2ccccc12,0,0.0,
+COC(=O)c1cn(C(=O)c2cccs2)c2ccccc12,0,0.0,
+COC(=O)c1cn(C(C)C(=O)NCc2ccco2)c2ccccc12,0,0.0,
+COC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1=O,0,0.0,
+COC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O,0,0.0,
+COC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCCC3)cc2c1=O,0,0.0,
+COC(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12,0,0.0,
+COC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12,1,100.0,0.0
+COC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12,0,0.0,
+COC(=O)c1cn(CC(=O)NCc2cccs2)c2ccccc12,0,0.0,
+COC(=O)c1cn(CCOc2ccccc2)c2ccccc12,0,0.0,
+COC(=O)c1cn(NC(=O)C2CCCCC2)c(=O)c2ccccc12,0,0.0,
+COC(=O)c1cn(NC(=O)C2CCCO2)c(=O)c2ccccc12,0,0.0,
+COC(=O)c1cn(NC(=O)C2COc3ccccc3O2)c(=O)c2ccccc12,0,0.0,
+COC(=O)c1cn(NC(=O)CC2CCCCC2)c(=O)c2ccccc12,0,0.0,
+COC(=O)c1cn(NC(=O)c2ccc3c(c2)OCO3)c(=O)c2ccccc12,0,0.0,
+COC(=O)c1cn(NC(=O)c2cccc(N(C)C)c2)c(=O)c2ccccc12,0,0.0,
+COC(=O)c1cn(NC(=O)c2cccnc2)c(=O)c2ccccc12,0,0.0,
+COC(=O)c1cn(NC(=O)c2ccncc2)c(=O)c2ccccc12,0,0.0,
+COC(=O)c1cn(NC(=O)c2cnccn2)c(=O)c2ccccc12,0,0.0,
+COC(=O)c1cn[nH]c1N,0,0.0,
+COC(=O)c1cnc2c(C(F)(F)F)cccc2c1OC,0,0.0,
+COC(=O)c1cncn1C(C)c1ccccc1,0,0.0,
+COC(=O)c1cnn(-c2ccc(C)c(C)c2)c1-n1cccc1,0,0.0,
+COC(=O)c1cnn(C(=O)c2cc(OC)ccc2Br)c1N,0,0.0,
+COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12,0,0.0,
+COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,0,0.0,
+COC(=O)c1cnn2c(C)c(Cc3cccc(F)c3)c(C)nc12,0,0.0,
+COC(=O)c1cnn2c3c(c(C)nc12)CCCC3,0,0.0,
+COC(=O)c1coc(-c2ccc(C)cc2)c1C(=O)OC,0,0.0,
+COC(=O)c1n[nH]c2ccccc12,0,0.0,
+COC(=O)c1nc(-c2ccc(C)cc2)oc1N(C)C,0,0.0,
+COC(=O)c1nc(-c2ccccc2)n[nH]1,0,0.0,
+COC(=O)c1nc(-c2ccccc2)oc1N(C)C,0,0.0,
+COC(=O)c1nc(C(=O)OC)c(C(=O)OC)nc1C(=O)OC,0,0.0,
+COC(=O)c1nc(N)sc1-c1ccccc1,0,0.0,
+COC(=O)c1nc(NC(=O)C(C)(C)C)n[nH]1,0,0.0,
+COC(=O)c1nc(NC(=O)C(C)C)n[nH]1,0,0.0,
+COC(=O)c1nc(NC(=O)c2ccc(Cl)cc2)n[nH]1,0,0.0,
+COC(=O)c1nc(NC(C)=O)n[nH]1,0,0.0,
+COC(=O)c1nc(NC2=NCCCCC2)n[nH]1,0,0.0,
+COC(=O)c1nc2cc(C)ccn2c1F,0,0.0,
+COC(=O)c1nc2n(n1)C(c1cc(OC)ccc1OC)C(C(=O)OC1CCCCC1)=C(C)N2,0,0.0,
+COC(=O)c1nc2n(n1)C(c1ccc(OC)c(OC)c1)C(C(=O)OC1CCCCC1)=C(C)N2,0,0.0,
+COC(=O)c1nc2n(n1)C(c1ccc(OC)c(OC)c1OC)C1=C(CCCC1=O)N2,0,0.0,
+COC(=O)c1nc2n(n1)C(c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2,0,0.0,
+COC(=O)c1nc2n(n1)C(c1cccc(Cl)c1)C1=C(CCCC1=O)N2,0,0.0,
+COC(=O)c1nc2n(n1)C(c1ccccc1OC)C1=C(CCCC1=O)N2,0,0.0,
+COC(=O)c1nc2nc(C)cc(C(F)(F)F)n2n1,0,0.0,
+COC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O,0,0.0,
+COC(=O)c1nn(-c2ccc(-c3ccccc3)cc2)cc1O,0,0.0,
+COC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br,0,0.0,
+COC(=O)c1nnc(-c2ccccc2)c(-c2ccccc2)n1,0,0.0,
+COC(=O)c1nnn(-c2ccccc2)c1N,0,0.0,
+COC(=O)c1nnn(-c2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1C,0,0.0,
+COC(=O)c1nnn(-c2nonc2N)c1-c1cccs1,0,0.0,
+COC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21,0,0.0,
+COC(=O)c1nnn(-c2nonc2N)c1CSCCO,0,0.0,
+COC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1,0,0.0,
+COC(=O)c1nnn(-c2nonc2N)c1CSc1ccccn1,0,0.0,
+COC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccccc2s1,0,0.0,
+COC(=O)c1nnn(CC(=O)Nc2cc(Cl)ccc2C)c1C(=O)OC,0,0.0,
+COC(=O)c1nnn(CC(=O)Nc2ccc(C)c(F)c2)c1C(=O)OC,0,0.0,
+COC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2)c1C(=O)OC,0,0.0,
+COC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2C)c1C(=O)OC,0,0.0,
+COC(=O)c1nnn(CC(=O)Nc2cccc(OC)c2)c1C(=O)OC,0,0.0,
+COC(=O)c1nnn(Cc2ccccc2)c1N,0,0.0,
+COC(=O)c1noc(-c2ccc(OC)cc2)n1,0,0.0,
+COC(=O)c1nonc1NCn1nnc2ccccc21,0,0.0,
+COC(=O)c1oc2c(c1C)C1(CCC2)SCCS1,1,100.0,1.0
+COC(=O)c1oc2ccc(Br)cc2c1-n1cccc1,0,0.0,
+COC(=O)c1oc2ccc(Br)cc2c1NC(=O)CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+COC(=O)c1oc2ccc(Br)cc2c1NC(=O)CCN1CCOCC1,0,0.0,
+COC(=O)c1oc2ccc(Br)cc2c1NC(=O)CN1CCN(C)CC1,0,0.0,
+COC(=O)c1oc2ccc(Br)cc2c1NC(=O)c1ccccc1,0,0.0,
+COC(=O)c1oc2ccc(Br)cc2c1NC(C)=O,0,0.0,
+COC(=O)c1oc2ccc(Cl)cc2c1NC(C)=O,0,0.0,
+COC(=O)c1oc2ccc(OC)cc2c1N,0,0.0,
+COC(=O)c1oc2ccccc2c1NC(=O)CN1CCCC1,0,0.0,
+COC(=O)c1oc2nc(C)cc(C)c2c1N,0,0.0,
+COC(=O)c1onc(C(=O)c2ccccc2)c1C(=O)OC,0,0.0,
+COC(=O)c1sc(=S)n(-c2cc(F)ccc2F)c1N,0,0.0,
+COC(=O)c1sc(=S)n(-c2cccc(Cl)c2)c1N,0,0.0,
+COC(=O)c1sc(=S)n(-c2ccccc2)c1N,0,0.0,
+COC(=O)c1sc(=S)sc1C(=O)OC,0,0.0,
+COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)C1CC(=O)N(Cc2ccco2)C1,0,0.0,
+COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1c(C)noc1C,0,0.0,
+COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nc2sc3c(c2c(=O)n1C)CCC3,0,0.0,
+COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnc(-c2ccccc2Cl)n1C,0,0.0,
+COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnnn1C,0,0.0,
+COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)C2c2ccc(F)cc2)nc1C,0,0.0,
+COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccs2)nc1C,0,0.0,
+COC(=O)c1sc(NC(=O)C(C)C)c(C(=O)OC)c1C,0,0.0,
+COC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)c(C(=O)OC)c1C,0,0.0,
+COC(=O)c1sc(NC(=O)C2CCCO2)c(C(=O)OC)c1C,0,0.0,
+COC(=O)c1sc(NC(=O)COc2ccccc2)nc1C,0,0.0,
+COC(=O)c1sc(NC(=O)COc2ccccc2OC)nc1C,0,0.0,
+COC(=O)c1sc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)nc1C,0,0.0,
+COC(=O)c1sc(NC(=O)CSc2nnc(C(C)C)n2C)nc1C,0,0.0,
+COC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)nc1C,0,0.0,
+COC(=O)c1sc(NC(=O)Cc2cccs2)nc1C,0,0.0,
+COC(=O)c1sc(NC(=O)c2cc3c(s2)CCCC3)nc1C,0,0.0,
+COC(=O)c1sc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C#N)c1C,0,0.0,
+COC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)nc1C,0,0.0,
+COC(=O)c1sc(NC(=O)c2ccco2)nc1C,0,0.0,
+COC(=O)c1sc(NC(=O)c2ccoc2C)nc1C,0,0.0,
+COC(=O)c1sc(NC(=O)c2cnccn2)c(C(=O)OC)c1C,0,0.0,
+COC(=O)c1sc(NC(=O)c2csc3c2CCCC3)nc1C,0,0.0,
+COC(=O)c1sc(NC(=O)c2oc3ccccc3c2C)nc1C,0,0.0,
+COC(=O)c1sc(NC(C)=O)c(C(=O)OC)c1C,0,0.0,
+COC(=O)c1sc(Nc2ccccc2)nc1C,0,0.0,
+COC(=O)c1sc(S(=O)(=O)N2CCC(C)CC2)c(C(=O)OC)c1C,0,0.0,
+COC(=O)c1sc(S(=O)(=O)N2CCCCC2)c(C(=O)OC)c1C,1,100.0,1.0
+COC(=O)c1sc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C(=O)OC)c1C,0,0.0,
+COC(=O)c1sc(S(=O)(=O)NCc2cccs2)c(C(=O)OC)c1C,0,0.0,
+COC(=O)c1sc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c(C(=O)OC)c1C,0,0.0,
+COC(=O)c1sc2ccccc2c1C(=O)OC,0,0.0,
+COC(=O)c1sc2ccccc2c1N,0,0.0,
+COC(=O)c1sc2ccccc2c1NC(=O)c1cccs1,1,100.0,1.0
+COC(=O)c1sc2cnccc2c1N,0,0.0,
+COC(=O)c1sc2nc(-c3ccccc3)nc(N3CCN(C)CC3)c2c1C,0,0.0,
+COC(=O)c1sc2nc(-c3ccco3)ccc2c1N,0,0.0,
+COC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCOCC3)c2c1C,0,0.0,
+COC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CC(C)(C)N(C)C3,0,0.0,
+COC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3,0,0.0,
+COC(=O)c1sc2nc3c(cc2c1N)COC(C)(C)C3,0,0.0,
+COC(=O)c1sccc1NC(=O)C1C2C=CC(O2)C1C(=O)O,0,0.0,
+COC(=O)c1sccc1NC(=O)C1CC2CCC1C2,0,0.0,
+COC(=O)c1sccc1NC(=O)C1CC=CCC1C(=O)O,0,0.0,
+COC(=O)c1sccc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1,0,0.0,
+COC(=O)c1sccc1NC(=O)CSc1nnnn1-c1ccccc1F,0,0.0,
+COC(=O)c1sccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COC(=O)c1sccc1NC(=O)Cn1nnc(-c2ccc(C)cc2)n1,0,0.0,
+COC(=O)c1sccc1NC(=O)c1c(C)cc(=O)oc1C,0,0.0,
+COC(=O)c1sccc1NC(=O)c1c(C)noc1C,0,0.0,
+COC(=O)c1sccc1NC(=O)c1cc(C)on1,0,0.0,
+COC(=O)c1sccc1NC(=O)c1ccc(Br)o1,0,0.0,
+COC(=O)c1sccc1NC(=O)c1ccc(Cl)s1,0,0.0,
+COC(=O)c1sccc1NC(=O)c1ccc(OC)cc1,0,0.0,
+COC(=O)c1sccc1NC(=O)c1ccc2c(c1)OCO2,0,0.0,
+COC(=O)c1sccc1NC(=O)c1cccnc1,0,0.0,
+COC(=O)c1sccc1NC(=O)c1ccco1,0,0.0,
+COC(=O)c1sccc1NC(=O)c1ccncc1,0,0.0,
+COC(=O)c1sccc1NC(=O)c1ccoc1C,0,0.0,
+COC(=O)c1sccc1NC(=O)c1csc(C)c1,0,0.0,
+COC(=O)c1sccc1NC(=O)c1csc2c1CCCC2,0,0.0,
+COC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+COC(=O)n1c(=O)oc2ccccc21,0,0.0,
+COC(=O)n1c(=S)oc2cc(Cl)ccc21,0,0.0,
+COC(=O)n1c(SC)nc2ccccc21,0,0.0,
+COC(=O)n1ccc(C(=O)Nc2ccccc2F)n1,0,0.0,
+COC(C(=O)Nc1cccc(F)c1)c1ccccc1,0,0.0,
+COC(C)(C)[C@]12CC(O)(C(C)C)ON1[C@H]1CCCCC1N2O,0,0.0,
+COC(C)(C)[C@]12CC(O)(c3ccccc3)ON1[C@H]1CCCCC1N2O,0,0.0,
+COC(C)(C)c1cc(C(C)(C)C)nc(N)n1,0,0.0,
+COC(CCN(C)C)(c1ccccc1)c1ccccc1,1,100.0,1.0
+COC1(OC)C(=N/O)/C(=N\O)CCC1O,0,0.0,
+COC1(OC)N=C(N)C2(C#N)C(c3ccc(C)cc3)C12C#N,0,0.0,
+COC1(OC)N=C(N)C2(C#N)C(c3ccc(F)cc3)C12C#N,0,0.0,
+COC1(OC)N=C(N)C2(C#N)C(c3ccc4c(c3)OCO4)C12C#N,0,0.0,
+COC1(OC)N=C(N)C2(C#N)C(c3cccc(Oc4ccccc4)c3)C12C#N,0,0.0,
+COC1(OC)N=C(NC(=O)Nc2ccccc2)C2(C#N)C(c3ccccc3)C12C#N,0,0.0,
+COC1(c2cc(-c3ccccc3)nc(N)n2)CCCCC1,0,0.0,
+COC1=C(OC)c2ccccc2C(C(=O)O)N/C1=C(/C)Nc1ccncc1,0,0.0,
+COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O,0,0.0,
+COC1=CC(=O)OC(/C=C/c2ccccc2)C1,0,0.0,
+COC1=CC(=O)OC12CCCCC2,0,0.0,
+COC1=Cc2c(ccc3ccc(=O)oc23)OC1(C)C,0,0.0,
+COC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+COC1CCCCC1NS(=O)(=O)c1ccccc1,0,0.0,
+COC1CCCCC1Nc1cc(C)ccc1C,0,0.0,
+COC1CCCCC1Nc1cccc(SC)c1,0,0.0,
+COC1Cc2ccccc2N(C(=O)N2CCN(CCO)CC2)c2ccccc21,0,0.0,
+COCC(=O)/C=C1\Sc2ccccc2N1C,0,0.0,
+COCC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCC1,0,0.0,
+COCC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc23)CCCC1,0,0.0,
+COCC(=O)N(C)c1nnc(-c2ccccn2)s1,0,0.0,
+COCC(=O)N(C)c1nnc(-c2cnc(C)cn2)s1,0,0.0,
+COCC(=O)N(C)c1nnc(-c2cnccn2)s1,0,0.0,
+COCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+COCC(=O)N(CCc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+COCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1,0,0.0,
+COCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccccc1,0,0.0,
+COCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccccc1OC,0,0.0,
+COCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(OC)cc1,0,0.0,
+COCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(OC)cc1,0,0.0,
+COCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1OC,0,0.0,
+COCC(=O)N(Cc1ccc(OC)cc1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+COCC(=O)N(Cc1ccccc1)c1ccccn1,0,0.0,
+COCC(=O)N(Cc1ccco1)c1nnc(C2CCOC2)s1,0,0.0,
+COCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1,0,0.0,
+COCC(=O)N(c1ccc(C(C)C)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+COCC(=O)N1CCC(n2nnc3cc(F)ccc32)CC1,0,0.0,
+COCC(=O)N1CCCc2ccccc21,0,0.0,
+COCC(=O)NC(C)c1nc2ccccc2[nH]1,0,0.0,
+COCC(=O)NC(c1ccccc1)c1ccccc1,0,0.0,
+COCC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1,0,0.0,
+COCC(=O)NC1CCN(C(=O)NCc2ccccc2)CC1,0,0.0,
+COCC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1,0,0.0,
+COCC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1,0,0.0,
+COCC(=O)NCCNc1nc2ccc(C)cc2cc1C,0,0.0,
+COCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+COCC(=O)NCCc1nc(-c2ccccc2)cs1,0,0.0,
+COCC(=O)NCCc1nc2ccccc2[nH]1,0,0.0,
+COCC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+COCC(=O)NCc1ccc2c(c1)cc(C)n2C,0,0.0,
+COCC(=O)NCc1nc2ccccc2[nH]1,0,0.0,
+COCC(=O)NCc1nc2ccccc2n1Cc1ccccc1F,0,0.0,
+COCC(=O)Nc1c(C(=O)Nc2cccc(OC)c2)oc2ccccc12,0,0.0,
+COCC(=O)Nc1c(C(=O)Nc2ccccc2OC)oc2ccccc12,0,0.0,
+COCC(=O)Nc1cc(=O)n(C)c(=O)n1C,0,0.0,
+COCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,0,0.0,
+COCC(=O)Nc1cc(OC)c(Cl)cc1OC,0,0.0,
+COCC(=O)Nc1cc(OC)ccc1OC,0,0.0,
+COCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1,0,0.0,
+COCC(=O)Nc1ccc(C(N)=O)cc1,0,0.0,
+COCC(=O)Nc1ccc(C)c(Cl)c1,0,0.0,
+COCC(=O)Nc1ccc(N(C)C)cc1,0,0.0,
+COCC(=O)Nc1ccc(Nc2ccccc2)cc1,0,0.0,
+COCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,0,0.0,
+COCC(=O)Nc1cccc(Br)c1,0,0.0,
+COCC(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+COCC(=O)Nc1cccc2ccccc12,0,0.0,
+COCC(=O)Nc1ccccc1C(=O)NC(C)C,0,0.0,
+COCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1,0,0.0,
+COCC(=O)Nc1ccccc1NC(C)=O,0,0.0,
+COCC(=O)Nc1nc(-c2ccccc2)c(C)s1,0,0.0,
+COCC(=O)Nc1nc(-c2ccccc2)ns1,0,0.0,
+COCC(=O)Nc1nc2ccc(C)cc2s1,0,0.0,
+COCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,0,0.0,
+COCC(=O)Nc1nc2n(n1)C(c1ccc(Cl)cc1)CC(c1ccc(OC)cc1)N2,0,0.0,
+COCC(=O)Nc1nc2n(n1)C(c1ccc(OC)cc1)CC(c1ccc(OC)cc1)N2,0,0.0,
+COCC(=O)Nc1nc2n(n1)C(c1ccccc1)CC(c1ccc(OC)cc1)N2,0,0.0,
+COCC(=O)Nc1nc2n(n1)C(c1ccccc1Cl)CC(c1ccc(OC)cc1)N2,0,0.0,
+COCC(=O)Nc1nnc(-c2cccs2)s1,0,0.0,
+COCC(=O)Nc1nnc(C2CCCCC2)s1,0,0.0,
+COCC(=O)Nc1nnc(CCc2ccccc2)s1,0,0.0,
+COCC(=O)Nc1nnc(COc2ccccc2)s1,0,0.0,
+COCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1,0,0.0,
+COCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1,0,0.0,
+COCC(=O)Nc1sc2c(c1C(=O)OC)C(C(=O)OC)CC2,0,0.0,
+COCC(=O)Nc1sc2c(c1C(=O)OC)CCC(C)C2,0,0.0,
+COCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2,0,0.0,
+COCC(=O)OCn1nnc2ccccc2c1=O,0,0.0,
+COCC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1-c1ccccc1,0,0.0,
+COCC(=O)c1[nH]c2ccccc2c1C,0,0.0,
+COCC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1,0,0.0,
+COCC(=O)n1nc(NCc2ccc(OC)cc2)nc1NCc1ccc(OC)cc1,0,0.0,
+COCC(C)N=CC1=C(O)CC(C)(C)CC1=O,0,0.0,
+COCC(C)NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,0,0.0,
+COCC(C)NC(=O)C1CC(c2cccc(Br)c2)=NO1,0,0.0,
+COCC(C)NC(=O)CCS(=O)(=O)c1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1,0,0.0,
+COCC(C)NC(=O)NC(=O)c1ccc(Cl)cc1,0,0.0,
+COCC(C)NC(=O)NC1(C(F)(F)F)Oc2ccc(Cl)cc2O1,0,0.0,
+COCC(C)NC(=O)c1cc(-c2ccc(O)cc2)on1,0,0.0,
+COCC(C)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1,0,0.0,
+COCC(C)NC(=O)c1cc(-c2cccc(OC)c2)on1,0,0.0,
+COCC(C)NC(=O)c1cc(-c2ccccc2OC)on1,0,0.0,
+COCC(C)NC(=O)c1ccc(Cl)c(Cl)c1,0,0.0,
+COCC(C)NC(=O)c1cccc(Cl)c1,0,0.0,
+COCC(C)NC(=O)c1ccccc1OC(C)=O,0,0.0,
+COCC(C)NC(=O)c1noc2c1CCc1cc(OC)ccc1-2,0,0.0,
+COCC(C)NCc1ccc(C)cc1C,0,0.0,
+COCC(C)NCc1ccccc1C,0,0.0,
+COCC(C)NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccccc2)NC(N)=O)cc1,0,0.0,
+COCC(C)NS(=O)(=O)c1ccc(OC)cc1,0,0.0,
+COCC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1,0,0.0,
+COCC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,0,0.0,
+COCC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,0,0.0,
+COCC(C)n1c(C)cc(C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)c1C,0,0.0,
+COCC(C)n1c(C)cc(C(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c1C,0,0.0,
+COCC(C)n1c(C)cc(C(=O)COC(=O)c2c(NC(C)=O)sc(C)c2C)c1C,0,0.0,
+COCC(C)n1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c1C,0,0.0,
+COCC(C)n1c(C)cc(C(=O)COC(=O)c2ccc3ncsc3c2)c1C,0,0.0,
+COCC(C)n1c(C)cc(C(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c1C,0,0.0,
+COCC(C)n1c(C)cc(C(=O)COC(=O)c2oc3ccccc3c2C)c1C,0,0.0,
+COCC(C)n1c(C)cc(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1C,0,0.0,
+COCC(C)n1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c1C,0,0.0,
+COCC(C)n1c(C)cc(C(=O)Cn2c(=O)oc3ccccc32)c1C,0,0.0,
+COCC(C)n1c(COc2ccccc2F)nnc1SCc1c(C)noc1C,0,0.0,
+COCC(C)n1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O,0,0.0,
+COCC(C)n1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O,0,0.0,
+COCC(C)n1c(SCc2ccc(C(=O)OC)o2)nc2ccccc2c1=O,0,0.0,
+COCC(COCCCNC(=O)Nc1ccc(Br)cc1)OC,1,100.0,0.0
+COCC(N)(c1ccccc1)c1nc2ccccc2n1C,0,0.0,
+COCCC(=O)N(Cc1ccc2c(c1)OCO2)C(C(=O)NC1CCCCC1)c1ccncc1,0,0.0,
+COCCC(=O)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1,0,0.0,
+COCCCN(C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21)C(C)c1ccncc1,0,0.0,
+COCCCN(C(=O)Nc1ccc(C)c(C)c1)C(C)c1ccccn1,0,0.0,
+COCCCN(C(=O)Nc1ccccc1)C(C)c1ccncc1,0,0.0,
+COCCCN(C(=O)c1cccnc1SC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+COCCCN(C(=O)c1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1,0,0.0,
+COCCCN(C(C)=O)c1nc(-c2ccc(OC)cc2)cs1,0,0.0,
+COCCCN(C(C)=O)c1nc(-c2ccccc2)cs1,0,0.0,
+COCCCN(C)C1CCN(C(=O)Nc2ccc(F)cc2)CC1,0,0.0,
+COCCCN(Cc1ccccn1)S(=O)(=O)Cc1ccccc1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)C1c1ccccc1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)c(C)c2)C1c1ccncc1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)C1c1ccc(O)c(OC)c1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)C1c1cccnc1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)C1c1ccncc1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)C1c1ccc(O)c(OC)c1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)C1c1cccc(OC)c1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)C1c1cccnc1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2)C1c1cccnc1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2)C1c1ccncc1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2C)C1c1cccnc1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)CC(C)O3)C1c1cccnc1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)C1c1ccc(C(=O)OC)cc1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccc(N(C)C)cc1,0,0.0,
+COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccc2c(c1)OCO2,0,0.0,
+COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1cccc(Br)c1,0,0.0,
+COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(Br)cc1,0,0.0,
+COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccc(Br)c1,0,0.0,
+COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1,0,0.0,
+COCCCN1C(=O)C(O)=C(C(C)=O)C1c1cccc(F)c1,0,0.0,
+COCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccccn1,0,0.0,
+COCCCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2C1c1ccc(O)c(OC)c1,0,0.0,
+COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1cccc(Cl)c1,0,0.0,
+COCCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O,0,0.0,
+COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2C1=O,0,0.0,
+COCCCN1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1,0,0.0,
+COCCCN1CC23C=CC(O2)C(C(=O)O)C3C1=O,0,0.0,
+COCCCN1CC23C=CC(O2)C(C(=O)OC)C3C1=O,0,0.0,
+COCCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21,0,0.0,
+COCCCN1Cc2cccc(C(=O)O)c2C1=O,0,0.0,
+COCCCN=C(c1ccco1)n1c(=S)nc(-c2ccco2)n(CCCOC)c1=S,0,0.0,
+COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,0,0.0,
+COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,0,0.0,
+COCCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0.0,
+COCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCOC,0,0.0,
+COCCCNC(=O)C12CCC(C)(C(=O)C1)C2(C)C,0,0.0,
+COCCCNC(=O)C1C2C=CC3(CN(Cc4ccc(C)cc4)C(=O)C13)O2,0,0.0,
+COCCCNC(=O)C1CC(=O)N(C2CCCC2)C1,0,0.0,
+COCCCNC(=O)C1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1,0,0.0,
+COCCCNC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)C1,0,0.0,
+COCCCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,0,0.0,
+COCCCNC(=O)C1CCC(=O)N1Cc1ccccc1Cl,0,0.0,
+COCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+COCCCNC(=O)C1CCCN(C(=O)Nc2ccc(OC)cc2)C1,0,0.0,
+COCCCNC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,0,0.0,
+COCCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1,0,0.0,
+COCCCNC(=O)C1CCN(S(=O)(=O)N(CC(C)C)CC(C)C)CC1,0,0.0,
+COCCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C\c2ccc(OC)cc2)CC1,0,0.0,
+COCCCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1,0,0.0,
+COCCCNC(=O)C1CCN(c2ncccn2)CC1,0,0.0,
+COCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1,0,0.0,
+COCCCNC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1,0,0.0,
+COCCCNC(=O)CC(NS(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)cc1,0,0.0,
+COCCCNC(=O)CC1Oc2ccccc2NC1=O,0,0.0,
+COCCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1,0,0.0,
+COCCCNC(=O)CCCC(=O)NCCCOC,0,0.0,
+COCCCNC(=O)CCCCC(=O)NCCCOC,0,0.0,
+COCCCNC(=O)CCCOc1ccccc1,0,0.0,
+COCCCNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O,0,0.0,
+COCCCNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O,0,0.0,
+COCCCNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O,0,0.0,
+COCCCNC(=O)CCN1C(=O)COc2ccc(C)cc21,0,0.0,
+COCCCNC(=O)CCN1C(=O)COc2ccccc21,0,0.0,
+COCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1,0,0.0,
+COCCCNC(=O)CCS(=O)(=O)Cc1ccc(C)cc1,0,0.0,
+COCCCNC(=O)CCc1nc(-c2ccccc2)no1,0,0.0,
+COCCCNC(=O)CCc1nc(-c2ccccc2Cl)no1,0,0.0,
+COCCCNC(=O)CCc1nc2cccnc2n1Cc1ccc(OC)cc1,0,0.0,
+COCCCNC(=O)CCc1nc2cccnc2n1Cc1ccccc1,0,0.0,
+COCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2C)c1=O,0,0.0,
+COCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+COCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O,0,0.0,
+COCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1,0,0.0,
+COCCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O,0,0.0,
+COCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+COCCCNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O,0,0.0,
+COCCCNC(=O)CN1C(=O)CSc2ncccc21,0,0.0,
+COCCCNC(=O)CN1C(=O)c2ccccc2C1=O,0,0.0,
+COCCCNC(=O)COc1cc(C)c(Cl)c(C)c1,0,0.0,
+COCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1,0,0.0,
+COCCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C,0,0.0,
+COCCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C,1,100.0,0.0
+COCCCNC(=O)C[S+]([O-])Cc1nc(-c2cccc(OC)c2)oc1C,0,0.0,
+COCCCNC(=O)C[S+]([O-])Cc1nc(-c2ccccc2C)oc1C,0,0.0,
+COCCCNC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N12,1,100.0,0.0
+COCCCNC(=O)CSC1=Nc2ccccc2C2=NC(Cc3c[nH]c4ccccc34)C(=O)N12,0,0.0,
+COCCCNC(=O)CSc1ccc(Cl)cc1,0,0.0,
+COCCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1,0,0.0,
+COCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCC1CCCO1,0,0.0,
+COCCCNC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21,0,0.0,
+COCCCNC(=O)Cn1cc(C(C)=O)c2ccccc21,0,0.0,
+COCCCNC(=O)Cn1cc2c(n1)CCC(C)C2,0,0.0,
+COCCCNC(=O)Cn1cc2c(n1)CCCCC2,0,0.0,
+COCCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O,0,0.0,
+COCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21,0,0.0,
+COCCCNC(=O)Cn1ncc2ccsc2c1=O,0,0.0,
+COCCCNC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1,0,0.0,
+COCCCNC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccccc3OC)cc2)n1,0,0.0,
+COCCCNC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccc(F)cc2)n1,0,0.0,
+COCCCNC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccccc2F)n1,0,0.0,
+COCCCNC(=O)Nc1ccc(Br)cc1Cl,0,0.0,
+COCCCNC(=O)Nc1ccc(F)cc1F,0,0.0,
+COCCCNC(=O)c1c(-c2ccccc2)noc1C,0,0.0,
+COCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+COCCCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12,0,0.0,
+COCCCNC(=O)c1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12,0,0.0,
+COCCCNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12,0,0.0,
+COCCCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12,0,0.0,
+COCCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12,0,0.0,
+COCCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12,0,0.0,
+COCCCNC(=O)c1cc(C)nc2ccc(F)cc12,0,0.0,
+COCCCNC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+COCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,0,0.0,
+COCCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,0,0.0,
+COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=N,0,0.0,
+COCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2,0,0.0,
+COCCCNC(=O)c1ccc(C(=O)NCCCOC)cc1,0,0.0,
+COCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,0,0.0,
+COCCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1,0,0.0,
+COCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,0,0.0,
+COCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,0,0.0,
+COCCCNC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1,0,0.0,
+COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1,0,0.0,
+COCCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1,0,0.0,
+COCCCNC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1,0,0.0,
+COCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+COCCCNC(=O)c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1,0,0.0,
+COCCCNC(=O)c1ccc2c(c1)OCO2,0,0.0,
+COCCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1OC,0,0.0,
+COCCCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1,0,0.0,
+COCCCNC(=O)c1cccc(C(=O)NCCCOC)c1,0,0.0,
+COCCCNC(=O)c1cccc(OC)c1OC,0,0.0,
+COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1,0,0.0,
+COCCCNC(=O)c1ccccc1NS(C)(=O)=O,0,0.0,
+COCCCNC(=O)c1ccccc1Oc1ccccc1,0,0.0,
+COCCCNC(=O)c1ccccc1SC,0,0.0,
+COCCCNC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,0,0.0,
+COCCCNC(=O)c1cn(Cc2c(F)cccc2Cl)nn1,0,0.0,
+COCCCNC(=O)c1oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1C,0,0.0,
+COCCCNC(CC(=O)Nc1ccc(N(C)C)cc1)C(=O)O,0,0.0,
+COCCCNC(CC(=O)Nc1ccc(OC)cc1OC)C(=O)O,0,0.0,
+COCCCNC(CC(=O)Nc1ccccc1C(=O)OC)C(=O)O,0,0.0,
+COCCCNC(c1ccccc1)c1ccncc1,0,0.0,
+COCCCNCC(=O)Nc1ccc(OC(F)(F)F)cc1,0,0.0,
+COCCCNCCOCCOc1c(OC)cccc1OC,0,0.0,
+COCCCNCCOc1cc(C(C)C)ccc1C,1,100.0,0.0
+COCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O,0,0.0,
+COCCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)S2,0,0.0,
+COCCCNS(=O)(=O)c1ccccc1,0,0.0,
+COCCCNc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2,1,100.0,
+COCCCNc1ccnc2c(Cl)cccc12,0,0.0,
+COCCCNc1nc(-c2ccncc2)nc2ccccc12,0,0.0,
+COCCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12,0,0.0,
+COCCCNc1nc2c([nH]1)c(=O)[nH]c(=O)n2C,0,0.0,
+COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1cccc(C)c1,0,0.0,
+COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccccc1,0,0.0,
+COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccccc1C,1,100.0,0.0
+COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,0,0.0,
+COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1,0,0.0,
+COCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1,0,0.0,
+COCCCNc1ncnc2c1cnn2-c1ccc(C)cc1C,0,0.0,
+COCCCNc1ncnc2nc[nH]c12,0,0.0,
+COCCCNc1oc(-c2ccccc2F)nc1C#N,0,0.0,
+COCCCNc1oc(-c2ccccc2OC)nc1C#N,0,0.0,
+COCCCNc1oc(COc2ccc(Cl)cc2Cl)nc1C#N,0,0.0,
+COCCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21,0,0.0,
+COCCCn1c(-c2ccccc2)nc2ccccc2c1=O,0,0.0,
+COCCCn1c(-c2ccccc2Cl)n[nH]c1=S,0,0.0,
+COCCCn1c(-c2ccco2)nc2ccccc2c1=O,0,0.0,
+COCCCn1c(-c2ccsc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,0,0.0,
+COCCCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+COCCCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc21,0,0.0,
+COCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21,1,100.0,1.0
+COCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21,0,0.0,
+COCCCn1c(=N)c(C(N)=S)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+COCCCn1c(=NC(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+COCCCn1c(=NC(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+COCCCn1c(=O)c2ccccc2c2ccccc2c1=O,0,0.0,
+COCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O,1,100.0,0.0
+COCCCn1c(=S)[nH]c2ncccc2c1=O,0,0.0,
+COCCCn1c(C(C)C)nc2oc3cc(OC)ccc3c(=O)c2c1=O,0,0.0,
+COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1,0,0.0,
+COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O,0,0.0,
+COCCCn1c(CCC(=O)O)ccc1-c1ccc(F)cc1,0,0.0,
+COCCCn1c(CCC(=O)O)ccc1-c1cccs1,0,0.0,
+COCCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCCC1,0,0.0,
+COCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)OC,0,0.0,
+COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc21,0,0.0,
+COCCCn1c(N)c(C(=O)OC(C)COC)c2nc3ccccc3nc21,0,0.0,
+COCCCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21,0,0.0,
+COCCCn1c(SCC(=O)N(C)C)nnc1-c1ccccc1,0,0.0,
+COCCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C,0,0.0,
+COCCCn1c(SCC(=O)N2CCCC(C)C2)nnc1-c1ccco1,0,0.0,
+COCCCn1c(SCC(=O)N2CCCCC2C)nnc1-c1ccco1,0,0.0,
+COCCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccoc1C,0,0.0,
+COCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccc1,0,0.0,
+COCCCn1c(SCC(=O)NC(C)C)nnc1-c1ccccc1,0,0.0,
+COCCCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccco1,0,0.0,
+COCCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccncc1,0,0.0,
+COCCCn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCC3,0,0.0,
+COCCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2ccccc2c1=O,0,0.0,
+COCCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O,0,0.0,
+COCCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccoc1C,0,0.0,
+COCCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1ccncc1,0,0.0,
+COCCCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1,0,0.0,
+COCCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccoc1C,0,0.0,
+COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1,0,0.0,
+COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1cccs1,0,0.0,
+COCCCn1c(SCC(=O)n2c(C)c(C)c3ccccc32)nnc1-c1ccoc1C,0,0.0,
+COCCCn1c(SCC(N)=O)nnc1-c1ccccc1,0,0.0,
+COCCCn1c(SCc2cc(=O)[nH]c3ccccc23)nnc1-c1ccco1,0,0.0,
+COCCCn1c2nc3ccccc3nc2c2c(=O)n(-c3ccccc3OC)c(C)nc21,0,0.0,
+COCCCn1c2nc3ccccc3nc2c2c(=O)n(-c3ccccc3OC)cnc21,0,0.0,
+COCCCn1c2nc3ccccc3nc2c2c(=O)n(CC3CCCO3)cnc21,0,0.0,
+COCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)c(C)nc21,0,0.0,
+COCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)cnc21,0,0.0,
+COCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)cnc21,0,0.0,
+COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1,0,0.0,
+COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1,0,0.0,
+COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1,0,0.0,
+COCCCn1cnc2oc3nc4ccccc4nc3c2c1=O,0,0.0,
+COCCCn1nnnc1SCC(=O)Nc1nc(C)c(C)s1,0,0.0,
+COCCN(C(=O)C(C)C)c1nnc(-c2cccc(C)c2)s1,0,0.0,
+COCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccco1,0,0.0,
+COCCN(C(=O)C1CC1)c1nnc(-c2cccc(C)c2)s1,0,0.0,
+COCCN(C(=O)CCC(=O)Nc1ccccn1)C(C(=O)NC1CCCC1)c1ccc(OC)cc1,0,0.0,
+COCCN(C(=O)CCC(=O)Nc1ccccn1)C(C(=O)NCCC(C)C)c1ccc(OC)cc1,1,100.0,0.0
+COCCN(C(=O)CCC(=O)Nc1cccnc1)C(C(=O)NC1CCCCC1)c1ccccc1,0,0.0,
+COCCN(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCC1)c1ccc(C)cc1,0,0.0,
+COCCN(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCCC1)c1ccc(C)cc1,0,0.0,
+COCCN(C(=O)CN1CCc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0.0,
+COCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1cccc(OC)c1,0,0.0,
+COCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1cccs1,0,0.0,
+COCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccco1,0,0.0,
+COCCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1,1,100.0,0.0
+COCCN(C(=O)Cc1cccs1)c1nnc(-c2cccnc2)s1,0,0.0,
+COCCN(C(=O)Cc1cccs1)c1nnc(-c2ccncc2)s1,0,0.0,
+COCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NC1CCCC1)c1cc(OC)ccc1OC,0,0.0,
+COCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NC1CCCC1)c1cccc(OC)c1OC,1,100.0,0.0
+COCCN(C(=O)Nc1ccc(OC)cc1OC)C1CCN(C(C)=O)CC1,0,0.0,
+COCCN(C(=O)Nc1ccc(OC)cc1OC)C1CCN(C(C)C)CC1,0,0.0,
+COCCN(C(=O)Nc1ccccc1)C(C)c1cccnc1,0,0.0,
+COCCN(C(=O)Nc1ccccc1)c1ccccc1C,0,0.0,
+COCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccncc2)s1,0,0.0,
+COCCN(C(=O)c1ccccc1)c1nnc(-c2cccnc2)s1,0,0.0,
+COCCN(C(=O)c1csnn1)C(C(=O)NC(C)(C)C)c1cccc(OC)c1,0,0.0,
+COCCN(C(=O)c1csnn1)C(C(=O)NC1CCCCC1)c1cccs1,0,0.0,
+COCCN(C(=O)c1csnn1)C(C(=O)NC1CCCCC1)c1sccc1C,0,0.0,
+COCCN(C(C)=O)c1nnc(-c2ccccn2)s1,0,0.0,
+COCCN(C(C)=O)c1nnc(-c2cnccn2)s1,0,0.0,
+COCCN(CC(=O)NC1CCCCC1)C(=O)CSc1nc2ccccc2o1,0,0.0,
+COCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1,0,0.0,
+COCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1nccs1,0,0.0,
+COCCN(CC(=O)NCc1ccc(OC)cc1)C(=O)CCC(=O)Nc1nccs1,0,0.0,
+COCCN(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1,0,0.0,
+COCCN(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1nccs1,0,0.0,
+COCCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+COCCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+COCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+COCCN(CCOC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C,0,0.0,
+COCCN(CCOC)C(=O)CCn1c(=O)oc2ccccc21,0,0.0,
+COCCN(CCOC)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(F)cc3)cc2c1=O,0,0.0,
+COCCN(CCOC)C(=O)c1cc2c(=O)n3ccccc3nc2s1,0,0.0,
+COCCN(CCOC)C(=O)c1cc2sc3ccccc3c2s1,0,0.0,
+COCCN(CCOC)C(=O)c1sc2nc(-c3ccccc3)cn2c1C,0,0.0,
+COCCN(CCOC)Cc1c(C)[nH]c2ccccc2c1=O,0,0.0,
+COCCN(CCOC)Cc1c(O)ccc2c3c(c(=O)oc12)CCC3,0,0.0,
+COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1,0,0.0,
+COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1,0,0.0,
+COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1,0,0.0,
+COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1,0,0.0,
+COCCN(CCOC)S(=O)(=O)c1ccc(OC)cc1,0,0.0,
+COCCN(CCOC)c1cc(C)c(C#N)c2nc3ccccc3n12,0,0.0,
+COCCN(CCOC)c1ncc(Cl)c(C(=O)c2c(C)cc3ccccn23)n1,0,0.0,
+COCCN(CCOC)c1ncnc2c1cnn2-c1ccc(Cl)cc1,0,0.0,
+COCCN(CCOC)c1ncnc2c1cnn2-c1ccccc1,0,0.0,
+COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1cccs1,0,0.0,
+COCCN(Cc1cc2cc3c(cc2n2nnnc12)OCO3)C(=O)c1ccccc1F,0,0.0,
+COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1,0,0.0,
+COCCN(Cc1cc2cccc(C)c2n2nnnc12)C(=O)C(F)(F)F,0,0.0,
+COCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1OC,0,0.0,
+COCCN(Cc1ccccc1)P(=O)(O)c1ccccc1OCC(=O)O,0,0.0,
+COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)C1c1cccnc1,0,0.0,
+COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2)C1c1cccnc1,0,0.0,
+COCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)C1c1ccc(C(=O)OC)cc1,0,0.0,
+COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccc(C)o1,0,0.0,
+COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccco1,0,0.0,
+COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccncc1,0,0.0,
+COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(S(=O)(=O)N(C)C)c2)C12C(=O)N(C)c1ccccc12,0,0.0,
+COCCN1C(=O)C(CC(=O)Nc2ccc(C(=O)O)cc2)SC1=Nc1ccccc1,0,0.0,
+COCCN1C(=O)C(CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1,0,0.0,
+COCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccc(Oc2ccccc2)c1,0,0.0,
+COCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(F)cc1,0,0.0,
+COCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)c(OC)c1,0,0.0,
+COCCN1C(=O)N(c2cccc(C)c2)C(=O)C1CC(=O)Nc1ccc(F)cc1,0,0.0,
+COCCN1C(=O)c2ccc(C(=O)NCc3cccnc3)cc2C1=O,0,0.0,
+COCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O,0,0.0,
+COCCN1C(=O)c2ccc(C(=O)O)cc2C1=O,0,0.0,
+COCCN1C(=O)c2ccccc2C(C(=O)N2CCN(c3ccccn3)CC2)C1c1ccc(F)cc1,0,0.0,
+COCCN1C(=O)c2ccccc2C(C(=O)NCCCN2CCCC2)C1c1c[nH]c2ccccc12,0,0.0,
+COCCN1C(=O)c2ccccc2C(C(=O)NCCCN2CCCC2=O)C1c1c[nH]c2ccccc12,0,0.0,
+COCCN1C(=O)c2ccccc2C(C(=O)NCCN(C)C)C1c1ccc(F)cc1,0,0.0,
+COCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1cccc(O)c1,0,0.0,
+COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(O)cc1,0,0.0,
+COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1cccc(O)c1,0,0.0,
+COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(C(=O)OC)cc1,0,0.0,
+COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(O)c(OC)c1,0,0.0,
+COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(OC)c(OC)c1,0,0.0,
+COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(O)c1,0,0.0,
+COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(OC)c1,0,0.0,
+COCCN1C=C(C(=O)OC)C(c2cc(Br)c(OC)c(OC)c2)C(C(=O)OC)=C1,0,0.0,
+COCCN1C=C(C(=O)OC)C(c2cc3c(cc2Br)OCO3)C(C(=O)OC)=C1,0,0.0,
+COCCN1C=C(C(=O)OC)C(c2ccc(OC)c(OC)c2)C(C(=O)OC)=C1,0,0.0,
+COCCN1C=C(C(=O)OC)C(c2ccc3c(c2)OCO3)C(C(=O)OC)=C1,0,0.0,
+COCCN1CC(=O)N(c2cccc(C)c2C)C(c2ccc(Cl)cc2)C1=O,0,0.0,
+COCCN1CC(O)=C(c2nc3ccccc3c(=O)[nH]2)C1=N,0,0.0,
+COCCN1CCN(c2c(C)c(C)nc3cc(-c4cccc(OC)c4)nn23)CC1,0,0.0,
+COCCN1CCn2c(nc3cc(NC(=O)NC4CCCCC4)ccc32)C1,0,0.0,
+COCCN1CCn2c(nc3cc(NC(=O)c4ccc(OC)cc4)ccc32)C1,0,0.0,
+COCCN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21,0,0.0,
+COCCN1CN=C(Nc2nc(C)c3ccc(C)cc3n2)NC1,1,100.0,
+COCCN1CN=C(Nc2nc3ccccc3s2)NC1,0,0.0,
+COCCN1CSC(=S)N(Cc2ccco2)C1,0,0.0,
+COCCN1Cc2c(sc(C)c2C)N(C(=O)c2ccccc2)C1,0,0.0,
+COCCN1Cc2cccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c2C1=O,0,0.0,
+COCCN1Cc2cccc(C(=O)NCc3ccccn3)c2C1=O,0,0.0,
+COCCN1Cc2cccc(C(=O)NCc3cccnc3)c2C1=O,0,0.0,
+COCCN1Cc2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2C1=O,0,0.0,
+COCCN1Cc2cccc(C(=O)Nc3c(C)cccc3C)c2C1=O,0,0.0,
+COCCN1Cc2cccc(C(=O)Nc3cc(C)cc(C)c3)c2C1=O,0,0.0,
+COCCN1Cc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2C1=O,0,0.0,
+COCCN1Cc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2C1=O,0,0.0,
+COCCN1Cc2cccc(C(=O)Nc3cccc(C)c3C)c2C1=O,0,0.0,
+COCCN1Cc2cccc(C(=O)Nc3cccc(OC)c3)c2C1=O,0,0.0,
+COCCN1Cc2cccc(C(=O)Nc3cccnc3)c2C1=O,0,0.0,
+COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCCC1,0,0.0,
+COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+COCCNC(=O)C(C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O,0,0.0,
+COCCNC(=O)C(C)OC(=O)c1cc2occc2n1C,0,0.0,
+COCCNC(=O)C(C)OC(=O)c1nsc(Cl)c1Cl,0,0.0,
+COCCNC(=O)C(C)Oc1ccc(Cl)cc1Cl,0,0.0,
+COCCNC(=O)C(OC(=O)CC1Sc2ccccc2NC1=O)c1ccncc1,0,0.0,
+COCCNC(=O)C(OC(=O)c1ccco1)c1ccccc1OC,0,0.0,
+COCCNC(=O)C(OC(=O)c1cccs1)c1ccccc1,0,0.0,
+COCCNC(=O)C(c1ccc(C)cc1)N(C(=O)CCC(=O)Nc1ccccn1)C1CCCC1,0,0.0,
+COCCNC(=O)C(c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1,0,0.0,
+COCCNC(=O)C(c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1,0,0.0,
+COCCNC(=O)C(c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1,0,0.0,
+COCCNC(=O)C(c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1,0,0.0,
+COCCNC(=O)C(c1ccc(C)o1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,0,0.0,
+COCCNC(=O)C(c1ccc(C)o1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21,0,0.0,
+COCCNC(=O)C(c1ccc(C)o1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21,0,0.0,
+COCCNC(=O)C(c1ccc(C)o1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21,0,0.0,
+COCCNC(=O)C(c1ccc(C)o1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N,0,0.0,
+COCCNC(=O)C(c1ccc(Cl)cc1)N(C(=O)CCC(=O)Nc1ccccn1)C1CCCC1,0,0.0,
+COCCNC(=O)C(c1ccc(F)cc1)N(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1,0,0.0,
+COCCNC(=O)C(c1ccc(F)cc1)N(CCOC)C(=O)CCC(=O)Nc1nccs1,0,0.0,
+COCCNC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1,0,0.0,
+COCCNC(=O)C(c1ccc(O)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1,0,0.0,
+COCCNC(=O)C(c1ccc(OC)cc1)N(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1,0,0.0,
+COCCNC(=O)C(c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1,0,0.0,
+COCCNC(=O)C(c1cccc(OC)c1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,0,0.0,
+COCCNC(=O)C(c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1,0,0.0,
+COCCNC(=O)C(c1ccccc1)N(CCOC)C(=O)Cn1nnc2ccccc21,0,0.0,
+COCCNC(=O)C(c1ccccc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,0,0.0,
+COCCNC(=O)C(c1ccccc1C)N(CCOC)C(=O)Cn1nnc2ccccc21,0,0.0,
+COCCNC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C,0,0.0,
+COCCNC(=O)C(c1ccco1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21,0,0.0,
+COCCNC(=O)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2,0,0.0,
+COCCNC(=O)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(C)=O)c1,0,0.0,
+COCCNC(=O)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1,1,100.0,0.0
+COCCNC(=O)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1,0,0.0,
+COCCNC(=O)C(c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1,0,0.0,
+COCCNC(=O)C1CC(=O)N(C2CCCC2)C1,0,0.0,
+COCCNC(=O)C1CC(=O)N(C2CCCCC2)C1,0,0.0,
+COCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1,0,0.0,
+COCCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,0,0.0,
+COCCNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,0,0.0,
+COCCNC(=O)C1CC(c2cccc(OC)c2)=NO1,0,0.0,
+COCCNC(=O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1,0,0.0,
+COCCNC(=O)C1CCCN(c2ncccn2)C1,0,0.0,
+COCCNC(=O)C1CCCN(c2nn3c(=O)cc(C)nc3s2)C1,0,0.0,
+COCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+COCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+COCCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1cccnc1,0,0.0,
+COCCNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1ccc(F)cc1,0,0.0,
+COCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1,0,0.0,
+COCCNC(=O)CC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(C)C,0,0.0,
+COCCNC(=O)CCCCCN1C(=O)CCC1=O,0,0.0,
+COCCNC(=O)CCCCCNS(=O)(=O)c1ccc(C)cc1,0,0.0,
+COCCNC(=O)CCSCc1ccccc1F,0,0.0,
+COCCNC(=O)CCc1nc(-c2ccccc2)no1,0,0.0,
+COCCNC(=O)CCn1c(=O)oc2ccccc21,0,0.0,
+COCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O,0,0.0,
+COCCNC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc(C)cc1C,0,0.0,
+COCCNC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)c1cccc(C)c1C,0,0.0,
+COCCNC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)c1ccccc1C,0,0.0,
+COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)c(Cl)c1,0,0.0,
+COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)cc1,0,0.0,
+COCCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1OC,0,0.0,
+COCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccc(F)c(Cl)c1,0,0.0,
+COCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccccc1,0,0.0,
+COCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1,0,0.0,
+COCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2,0,0.0,
+COCCNC(=O)CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1,0,0.0,
+COCCNC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1nccs1,0,0.0,
+COCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O,0,0.0,
+COCCNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O,0,0.0,
+COCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1,0,0.0,
+COCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1,0,0.0,
+COCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+COCCNC(=O)CN(c1ccccc1OC)S(C)(=O)=O,0,0.0,
+COCCNC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21,0,0.0,
+COCCNC(=O)CN1C(=O)COc2ccc(Cl)cc21,0,0.0,
+COCCNC(=O)CN1C(=O)CSc2cc(S(=O)(=O)N3CCCCCC3)ccc21,0,0.0,
+COCCNC(=O)CN1C(=O)CSc2ncccc21,0,0.0,
+COCCNC(=O)CN1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1,0,0.0,
+COCCNC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1,0,0.0,
+COCCNC(=O)CN1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1,0,0.0,
+COCCNC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1,1,100.0,0.0
+COCCNC(=O)CN1CCN(Cc2cccc(Cl)c2)C1=O,0,0.0,
+COCCNC(=O)CN1CCOc2ccccc21,0,0.0,
+COCCNC(=O)CN1c2ccccc2CC1C,0,0.0,
+COCCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1,0,0.0,
+COCCNC(=O)COC(=O)CSCc1nc2ccccc2s1,0,0.0,
+COCCNC(=O)COC(=O)c1nsc(Cl)c1Cl,0,0.0,
+COCCNC(=O)COc1cc(=O)n(C)c2ccccc12,0,0.0,
+COCCNC(=O)COc1ccc(C)c(C)c1,0,0.0,
+COCCNC(=O)COc1ccc(Nc2ccccc2)cc1,0,0.0,
+COCCNC(=O)COc1cccc(Oc2ccccc2)c1,0,0.0,
+COCCNC(=O)COc1ccccc1Cl,0,0.0,
+COCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C,0,0.0,
+COCCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(Cl)cc2)oc1C,0,0.0,
+COCCNC(=O)C[S+]([O-])Cc1nc(-c2ccc(OC)cc2)oc1C,0,0.0,
+COCCNC(=O)C[S+]([O-])Cc1nc(-c2ccccc2C)oc1C,0,0.0,
+COCCNC(=O)CSCc1c(F)cccc1Cl,0,0.0,
+COCCNC(=O)CSCc1nc(-c2ccc(SC)cc2)oc1C,0,0.0,
+COCCNC(=O)CSc1ccc(C)cc1,0,0.0,
+COCCNC(=O)CSc1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)n1,0,0.0,
+COCCNC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2,0,0.0,
+COCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCC1=CCCCC1,0,0.0,
+COCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccc(OC)cc1,0,0.0,
+COCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccco1,0,0.0,
+COCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1,0,0.0,
+COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1,0,0.0,
+COCCNC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1,0,0.0,
+COCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCc1ccccc1,0,0.0,
+COCCNC(=O)CSc1nc2ccccc2c2nc(C)nn12,0,0.0,
+COCCNC(=O)CSc1nc2nc(C)cc(C)n2n1,0,0.0,
+COCCNC(=O)Cc1cn(C)c2ccccc12,0,0.0,
+COCCNC(=O)Cc1nc2ccccc2[nH]1,0,0.0,
+COCCNC(=O)Cn1c(=O)n(CCC(=O)NCCc2ccccc2)c(=O)c2ccccc21,0,0.0,
+COCCNC(=O)Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2ccccc21,0,0.0,
+COCCNC(=O)Cn1cc2c(n1)CCC(C)C2,0,0.0,
+COCCNC(=O)Cn1cc2c(n1)CCCCC2,0,0.0,
+COCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCCNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O,0,0.0,
+COCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O,0,0.0,
+COCCNC(=O)Cn1nc(-c2ccccc2OC)ccc1=O,0,0.0,
+COCCNC(=O)Cn1nc(C(F)(F)F)c(Br)c1C,0,0.0,
+COCCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C,0,0.0,
+COCCNC(=O)Cn1nc(C(F)(F)F)cc1C,0,0.0,
+COCCNC(=O)Cn1nc(C)c2ccccc2c1=O,0,0.0,
+COCCNC(=O)Cn1ncc2ccsc2c1=O,0,0.0,
+COCCNC(=O)NC(=O)COC(=O)C12CC3CC(CC(NC(C)=O)(C3)C1)C2,0,0.0,
+COCCNC(=O)NC(=O)COC(=O)Cc1ccc2c(c1)OCCO2,0,0.0,
+COCCNC(=O)NC1(C(F)(F)F)Oc2ccc(Cl)cc2O1,0,0.0,
+COCCNC(=O)Nc1ccc2c(c1)N(C)C(=O)CS2,0,0.0,
+COCCNC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12,0,0.0,
+COCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12,0,0.0,
+COCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12,0,0.0,
+COCCNC(=O)c1c(N)n(CCCn2ccnc2)c2nc3ccccc3nc12,0,0.0,
+COCCNC(=O)c1c(N)sc2c1CCCC2,0,0.0,
+COCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12,0,0.0,
+COCCNC(=O)c1c[nH]c2cc(OC)c(OC)cc2c1=O,0,0.0,
+COCCNC(=O)c1c[nH]c2ccc(OC)cc2c1=O,0,0.0,
+COCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1=O,0,0.0,
+COCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,0,0.0,
+COCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1,0,0.0,
+COCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,0,0.0,
+COCCNC(=O)c1cc(-c2cccc(OC)c2)on1,0,0.0,
+COCCNC(=O)c1cc(-c2ccccc2OC)on1,0,0.0,
+COCCNC(=O)c1cc(-c2cccs2)on1,0,0.0,
+COCCNC(=O)c1cc(Br)ccc1Cl,0,0.0,
+COCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,0,0.0,
+COCCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1,0,0.0,
+COCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,0,0.0,
+COCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N,0,0.0,
+COCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,0,0.0,
+COCCNC(=O)c1cc2cc(Br)cc(OC)c2oc1=O,0,0.0,
+COCCNC(=O)c1cc2sc3ccccc3c2s1,0,0.0,
+COCCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1,0,0.0,
+COCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)o1,0,0.0,
+COCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1,0,0.0,
+COCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,0,0.0,
+COCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1,0,0.0,
+COCCNC(=O)c1ccc(Cl)c(Cl)c1,0,0.0,
+COCCNC(=O)c1ccc(Cn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1,0,0.0,
+COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COCCNC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1,0,0.0,
+COCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1,0,0.0,
+COCCNC(=O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+COCCNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1,0,0.0,
+COCCNC(=O)c1ccc2c(c1)NC(=O)CS2,0,0.0,
+COCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(OC)c(OC)c(OC)c1,0,0.0,
+COCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(F)c1,0,0.0,
+COCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1,0,0.0,
+COCCNC(=O)c1ccc2ccccc2n1,0,0.0,
+COCCNC(=O)c1ccccc1-c1ccccc1C(=O)O,0,0.0,
+COCCNC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1,0,0.0,
+COCCNC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1,0,0.0,
+COCCNC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,0,0.0,
+COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O,0,0.0,
+COCCNC(=O)c1ccccc1NC(=O)COc1ccccc1,1,100.0,
+COCCNC(=O)c1ccccc1NC(=O)c1ccc(OC)c(OC)c1,0,0.0,
+COCCNC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,0,0.0,
+COCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O,0,0.0,
+COCCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12,0,0.0,
+COCCNC(=O)c1csc2c1CCCC2,0,0.0,
+COCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12,0,0.0,
+COCCNC(=O)c1noc2c1CCc1cc(OC)ccc1-2,0,0.0,
+COCCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C,0,0.0,
+COCCNC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C,0,0.0,
+COCCNC(=O)c1snc2ccc(Cl)cc12,0,0.0,
+COCCNC(=S)c1ccc(OC)cc1,0,0.0,
+COCCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+COCCNC(C)C(=O)Nc1ccc(Br)cc1,0,0.0,
+COCCNCC#CCOc1ccc(OC)cc1,0,0.0,
+COCCNCC(=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+COCCNCC(=O)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+COCCNCCOCCOc1cccc(OC)c1,0,0.0,
+COCCNS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C,0,0.0,
+COCCNS(=O)(=O)c1cc(F)ccc1OC,0,0.0,
+COCCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCOC)cc2)cc1,0,0.0,
+COCCNS(=O)(=O)c1ccc(C2CNC(=O)C2)cc1,0,0.0,
+COCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1,0,0.0,
+COCCNS(=O)(=O)c1ccc(SC)cc1,1,100.0,0.0
+COCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCOC)ccc1-2,0,0.0,
+COCCNS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NCCOC)ccc12,0,0.0,
+COCCNS(=O)(=O)c1cccc2cccnc12,0,0.0,
+COCCNc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12,0,0.0,
+COCCNc1cc(C)c(C#N)c2nc3ccccc3n12,0,0.0,
+COCCNc1cc(C)nc2c(-c3ccccc3OC)c(C)nn12,0,0.0,
+COCCNc1cc(C)nc2c3c(C)cc(C)nc3nn12,0,0.0,
+COCCNc1cc(C)nc2ccccc12,0,0.0,
+COCCNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3,0,0.0,
+COCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12,0,0.0,
+COCCNc1nc(C(C)(C)C)nc2c1nnn2Cc1ccccc1Cl,0,0.0,
+COCCNc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc12,0,0.0,
+COCCNc1nc(SCC(=O)N2CCN(c3ccccc3OC)CC2)nc2ccccc12,1,100.0,1.0
+COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C(F)(F)F)c1,0,0.0,
+COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1,0,0.0,
+COCCNc1nc2c(c(=O)n(Cc3ccc(OC)cc3)c(=O)n2C)n1C,0,0.0,
+COCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1,0,0.0,
+COCCNc1ncnc2c1cnn2Cc1ccc(Cl)cc1,0,0.0,
+COCCNc1ncnc2nc[nH]c12,0,0.0,
+COCCNc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1,0,0.0,
+COCCNc1nnc(SCC(=O)c2ccc3c(c2)OCO3)s1,0,0.0,
+COCCNc1oc(-c2ccc(C)cc2)nc1C#N,0,0.0,
+COCCNc1oc(-c2ccc(Cl)cc2)nc1C#N,0,0.0,
+COCCNc1oc(-c2ccc(F)cc2)nc1C#N,0,0.0,
+COCCNc1oc(-c2ccccc2Cl)nc1C#N,0,0.0,
+COCCNc1oc(COc2cccc(C)c2)nc1C#N,0,0.0,
+COCCOC(=O)/C=C1/NC(=O)CS1,0,0.0,
+COCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,0,0.0,
+COCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,0,0.0,
+COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c1cccc(OC)c1OC,0,0.0,
+COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1/C=C/c1ccccc1,0,0.0,
+COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(Br)ccc1OC,0,0.0,
+COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(C(=O)OC)cc1,0,0.0,
+COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(OC(=O)c2ccco2)cc1,0,0.0,
+COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccc(Br)c1,0,0.0,
+COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2C1c1cccs1,0,0.0,
+COCCOC(=O)C1=C(C)NC(=O)CC1c1cc2c(cc1Br)OCO2,0,0.0,
+COCCOC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccc(Cl)cc1,0,0.0,
+COCCOC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1,0,0.0,
+COCCOC(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl,0,0.0,
+COCCOC(=O)C1=C(C)NC(=O)NC1c1c(OC)ncnc1OC,0,0.0,
+COCCOC(=O)C1=C(C)NC(=O)NC1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0,0.0,
+COCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1,0,0.0,
+COCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(=O)c2ccco2)c(OC)c1,0,0.0,
+COCCOC(=O)C1=C(C)NC(=O)NC1c1cccs1,0,0.0,
+COCCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1,1,100.0,
+COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,0,0.0,
+COCCOC(=O)C1=C(C)NC(SCC(=O)NC(C)(C)C)=C(C#N)C1c1ccco1,0,0.0,
+COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cc2c(cc1Br)OCO2,0,0.0,
+COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(N(C)C)cc1,0,0.0,
+COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc2c(c1)OCO2,0,0.0,
+COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1,0,0.0,
+COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3cccs3)C2)C1c1ccsc1,0,0.0,
+COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,0,0.0,
+COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1,0,0.0,
+COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc2c(c1)OCO2,0,0.0,
+COCCOC(=O)C1=C(C)Nc2nc(C)nn2C1c1ccc(F)cc1,0,0.0,
+COCCOC(=O)C1=C(C)Nc2nc(C)nn2C1c1ccccc1,0,0.0,
+COCCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc(F)cc1,0,0.0,
+COCCOC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1,0,0.0,
+COCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc2c(c1)OCO2,0,0.0,
+COCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccco1,0,0.0,
+COCCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)C12C(=O)Nc1ccccc12,0,0.0,
+COCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)C12C(=O)Nc1ccccc12,0,0.0,
+COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1,0,0.0,
+COCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1cccnc1,0,0.0,
+COCCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccncc1,0,0.0,
+COCCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)Nc1ccccc12,0,0.0,
+COCCOC(=O)CC1=NC(=O)CS1,0,0.0,
+COCCOC(=O)c1[nH]c2c(c1C)C(=O)C(C(=O)OC)C(C)C2,0,0.0,
+COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)ccc1OC)C2,0,0.0,
+COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(F)cc1)C2,0,0.0,
+COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2,0,0.0,
+COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccccc1)C2,0,0.0,
+COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,0,0.0,
+COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)C3CC3)cc12,0,0.0,
+COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)N3CCOCC3)cc12,0,0.0,
+COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccs3)cc12,0,0.0,
+COCCOC(=O)c1c(C)nc(SCC(=O)Nc2ccc(C)cc2)c(C#N)c1-c1ccco1,0,0.0,
+COCCOC(=O)c1c(C)nc(SCC(=O)Nc2ccc(OC)cc2)c(C#N)c1-c1ccco1,0,0.0,
+COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(=O)O)cc3)cc12,0,0.0,
+COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12,0,0.0,
+COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12,0,0.0,
+COCCOC(=O)c1c(C)oc2ccc(O)c(CN3CCC(C)CC3)c12,0,0.0,
+COCCOC(=O)c1c(C)oc2ccc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)cc12,0,0.0,
+COCCOC(=O)c1c(C)oc2ccc(OC(=O)N(C)C)cc12,0,0.0,
+COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3c(OC)cccc3OC)cc12,0,0.0,
+COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc12,0,0.0,
+COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc12,0,0.0,
+COCCOC(=O)c1c(C)oc2ccc(OCC=C(C)C)cc12,0,0.0,
+COCCOC(=O)c1c(C)oc2ccc(OCc3cc(C(=O)OC)oc3C)cc12,0,0.0,
+COCCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12,0,0.0,
+COCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12,0,0.0,
+COCCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,0,0.0,
+COCCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(C(N)=O)c1C,0,0.0,
+COCCOC(=O)c1cc(C(=O)c2cc(F)ccc2O)coc1=N,0,0.0,
+COCCOCC(O)CN1CCN(c2ccc(C)cc2)CC1,0,0.0,
+COCCOCCOCCC(=O)NC1CC2CCC1(C)C2(C)C,0,0.0,
+COCCOCCn1c(CCCO)nc2ccccc21,0,0.0,
+COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1c(C)noc1C,0,0.0,
+COCCOc1ccc(C(F)(F)F)cc1Nc1nc2ccccc2o1,0,0.0,
+COCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,0,0.0,
+COCCOc1nc2ccccc2nc1C,0,0.0,
+COCCSc1ccccc1C(=O)N1CCCC1,0,0.0,
+COCCSc1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+COCCSc1ccccc1C(=O)NCC1CCCO1,0,0.0,
+COCCSc1ccccc1C(=O)NCCCn1ccnc1,0,0.0,
+COCCSc1ccccc1C(=O)NCc1ccco1,0,0.0,
+COCCSc1ccccc1C(=O)Nc1cc(C)on1,0,0.0,
+COCCSc1ccccc1C(=O)Nc1ccncc1,0,0.0,
+COCCSc1ccccc1C(=O)Nc1nccs1,0,0.0,
+COCCSc1ccccc1C(=O)Nc1nnc(C)s1,0,0.0,
+COCCSc1ccccc1C(=O)Nc1nnc(COC)s1,0,0.0,
+COCCSc1ccccc1C(=O)Nc1nncs1,0,0.0,
+COCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,0,0.0,
+COCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1,0,0.0,
+COCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3,1,100.0,0.0
+COCCSc1nnc(-c2cccc(C#N)c2)n1C,0,0.0,
+COCCSc1nnc(-c2cnccn2)o1,0,0.0,
+COCCSc1nnc(NC(=O)C2CCCCC2)s1,0,0.0,
+COCCSc1nnc(NC(=O)C2CCCO2)s1,0,0.0,
+COCCSc1nnc(NC(=O)COC)s1,0,0.0,
+COCCSc1nnc(NC(=O)CSCc2ccccc2)s1,0,0.0,
+COCCSc1nnc(NC(=O)CSc2ccccc2)s1,0,0.0,
+COCCSc1nnc(NC(=O)Cc2ccccc2OC)s1,0,0.0,
+COCCSc1nnc(NC(=O)Cc2cccs2)s1,0,0.0,
+COCCSc1nnc(NS(=O)(=O)Cc2ccccc2)s1,0,0.0,
+COCCc1ccc(OCC(O)CNC(C)C)cc1,0,0.0,
+COCCc1nnc(NC(=O)Cc2ccccc2)s1,0,0.0,
+COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21,0,0.0,
+COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2oc3ccccc3c(=O)c2c1=O,0,0.0,
+COCCn1c(-c2ccc(-c3ccccc3Cl)o2)nc2c1c(=O)[nH]c(=O)n2CC(C)C,0,0.0,
+COCCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NCc1cccs1,0,0.0,
+COCCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21,0,0.0,
+COCCn1c(-c2ccc(OC)cc2)cnc1N,0,0.0,
+COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cc(C)on1,0,0.0,
+COCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2,0,0.0,
+COCCn1c(-c2ccccc2)nc2oc3ccccc3c(=O)c2c1=O,0,0.0,
+COCCn1c(-c2ccccc2F)n[nH]c1=S,0,0.0,
+COCCn1c(-c2ccco2)nc2nc3ccccc3nc21,0,0.0,
+COCCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21,1,100.0,1.0
+COCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21,1,100.0,1.0
+COCCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3cccc(C)c3nc21,1,100.0,
+COCCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc21,0,0.0,
+COCCn1c(=NC(=O)CSC(C)=O)sc2cc(F)ccc21,0,0.0,
+COCCn1c(=NC(=O)CSC(C)=O)sc2cc(OC)ccc21,0,0.0,
+COCCn1c(=NC(=O)CSCC(=O)NC2CCCCC2)sc2cc(OC)ccc21,0,0.0,
+COCCn1c(=NC(=O)CSCC(=O)Nc2cc(C)on2)sc2cc(C(=O)OC)ccc21,0,0.0,
+COCCn1c(=NC(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21,0,0.0,
+COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2c1=O,0,0.0,
+COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2c1=O,0,0.0,
+COCCn1c(=O)[nH]c2cc(C(=O)NC(C)C)ccc2c1=O,0,0.0,
+COCCn1c(=O)[nH]c2cc(C(=O)NC3CCCCCC3)ccc2c1=O,0,0.0,
+COCCn1c(=O)[nH]c2cc(C(=O)NCC3CCCO3)ccc2c1=O,0,0.0,
+COCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)ccc2c1=O,0,0.0,
+COCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O,0,0.0,
+COCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)ccc2c1=O,0,0.0,
+COCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCN(c4ccccc4)CC3)ccc2c1=O,0,0.0,
+COCCn1c(=O)[nH]c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1=O,0,0.0,
+COCCn1c(=O)[nH]c2cc(C(=O)NCc3cccnc3)ccc2c1=O,0,0.0,
+COCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O,0,0.0,
+COCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O,0,0.0,
+COCCn1c(=O)c2c3c(sc2n(CC(N)=O)c1=O)CCCC3,0,0.0,
+COCCn1c(=S)[nH]c2cc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)ccc2c1=O,0,0.0,
+COCCn1c(=S)[nH]c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2c1=O,0,0.0,
+COCCn1c(=S)[nH]c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1=O,0,0.0,
+COCCn1c(=S)[nH]c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2c1=O,0,0.0,
+COCCn1c(=S)[nH]c2cc(C(=O)N3CCc4ccccc43)ccc2c1=O,0,0.0,
+COCCn1c(=S)[nH]c2cc(C(=O)NCC3CCCO3)ccc2c1=O,0,0.0,
+COCCn1c(=S)[nH]c2cc(C(=O)NCCCN3CCOCC3)ccc2c1=O,0,0.0,
+COCCn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O,0,0.0,
+COCCn1c(=S)[nH]c2ccc(N(C)C)cc2c1=O,0,0.0,
+COCCn1c(C(C)C)nc2oc3ccccc3c(=O)c2c1=O,0,0.0,
+COCCn1c(C)c(C(=O)O)sc1=S,0,0.0,
+COCCn1c(C)cc(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)COC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)COC(=O)c2ccc3ncsc3c2)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)COc2nc3ccccc3nc2C)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2n[nH]c(N)n2)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2nc(C)cc(C)c2C#N)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2nc(C)nc3sc4c(c23)CCC4)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2nc3ccccc3o2)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2ncn[nH]2)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2nnc(C)s2)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2nnc3ccccn23)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)c1C,0,0.0,
+COCCn1c(C)cc(C(=O)CSc2nncn2-c2ccccc2)c1C,0,0.0,
+COCCn1c(C)cc2c(c1=O)C(c1ccccc1F)C(C#N)=C(N)O2,0,0.0,
+COCCn1c(C)nc2oc3ccc(Br)cc3c(=O)c2c1=O,1,100.0,
+COCCn1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1=S,1,100.0,0.0
+COCCn1c(C2CCCCC2)nc2sc3ccccc3c(=O)c2c1=O,0,0.0,
+COCCn1c(CCC(=O)O)nc2c1c(=O)[nH]c(=O)n2CC(C)C,0,0.0,
+COCCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCCn1c(CN2CC(C)CC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCCn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCCn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCCn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCCn1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC,0,0.0,
+COCCn1c(COC)nc2ccccc21,0,0.0,
+COCCn1c(COc2ccc(C)cc2)nc2ccccc21,0,0.0,
+COCCn1c(COc2ccc(Cl)cc2)nnc1SCC(N)=O,0,0.0,
+COCCn1c(COc2ccc(OC)cc2)nc2ccccc21,0,0.0,
+COCCn1c(COc2cccc(OC)c2)nnc1SCC(=O)N1CCOCC1,0,0.0,
+COCCn1c(COc2ccccc2)nnc1SCC(N)=O,0,0.0,
+COCCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)C,0,0.0,
+COCCn1c(Cc2ccccc2)nnc1SCC(=O)NC(C)(C)C,0,0.0,
+COCCn1c(Cc2ccccc2)nnc1SCC(=O)NC(C)C,0,0.0,
+COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)on1,0,0.0,
+COCCn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21,0,0.0,
+COCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21,0,0.0,
+COCCn1c(N)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c2nc3ccccc3nc21,0,0.0,
+COCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21,0,0.0,
+COCCn1c(N)c(NCc2ccccc2)c(=O)n(CC(=O)Nc2cc(C)ccc2C)c1=O,0,0.0,
+COCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,0,0.0,
+COCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCCn1c(NCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COCCn1c(SC(C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O,0,0.0,
+COCCn1c(SC)nnc1-c1c[nH]c2ccccc12,0,0.0,
+COCCn1c(SCC#N)nnc1-c1ccc2c(c1)OCO2,0,0.0,
+COCCn1c(SCC#N)nnc1-c1ccccc1,0,0.0,
+COCCn1c(SCC#N)nnc1-c1ccccc1O,0,0.0,
+COCCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1cc2ccccc2cc1O,0,0.0,
+COCCn1c(SCC(=O)N2CCC(C)CC2)nc2ccccc2c1=O,0,0.0,
+COCCn1c(SCC(=O)N2CCCC2)nnc1-c1ccoc1C,0,0.0,
+COCCn1c(SCC(=O)N2CCCC2)nnc1C(C)C,0,0.0,
+COCCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O,0,0.0,
+COCCn1c(SCC(=O)N2CCCCC2)nc2cccnc21,0,0.0,
+COCCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc2c1=O,1,100.0,0.0
+COCCn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21,0,0.0,
+COCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2c(c1=O)SC(C)C2,0,0.0,
+COCCn1c(SCC(=O)N2CCc3ccccc32)nc2c(c1=O)SC(C)C2,0,0.0,
+COCCn1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc21,0,0.0,
+COCCn1c(SCC(=O)NCC2CCCO2)nc2c(c1=O)SC(C)C2,0,0.0,
+COCCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccco1,0,0.0,
+COCCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1c[nH]c2ccccc12,0,0.0,
+COCCn1c(SCC(=O)NCc2ccco2)nc2cccnc21,0,0.0,
+COCCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc(OC)cc1,0,0.0,
+COCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1C(C)C,0,0.0,
+COCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1c[nH]c2ccccc12,0,0.0,
+COCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc2c(c1=O)SC(C)C2,1,100.0,0.0
+COCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc21,1,100.0,1.0
+COCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c(c1=O)SC(C)C2,0,0.0,
+COCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1c[nH]c2ccccc12,0,0.0,
+COCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nc2ccccc2c1=O,0,0.0,
+COCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1C(C)C,0,0.0,
+COCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1,0,0.0,
+COCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccc1,0,0.0,
+COCCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COCCn1c(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)nc2ccccc21,0,0.0,
+COCCn1c(SCC(=O)Nc2ncc(C)s2)nc2sc3c(c2c1=O)CCC3,0,0.0,
+COCCn1c(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)nc2ccccc21,0,0.0,
+COCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1c[nH]c2ccccc12,0,0.0,
+COCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cc2ccccc2cc1O,0,0.0,
+COCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccncc1,0,0.0,
+COCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccc(OC)cc1,0,0.0,
+COCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C,0,0.0,
+COCCn1c(SCC(=O)OC(C)C)nnc1-c1ccccc1,0,0.0,
+COCCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc21,0,0.0,
+COCCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nc2ccccc2c1=O,0,0.0,
+COCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C(C)C,0,0.0,
+COCCn1c(SCC(=O)c2ccc(F)cc2)nnc1C(C)C,0,0.0,
+COCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccco1,0,0.0,
+COCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccoc1C,0,0.0,
+COCCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)SC(C)C2,0,0.0,
+COCCn1c(SCC(N)=O)nc2c(c1=O)SC(C)C2,0,0.0,
+COCCn1c(SCC(N)=O)nnc1-c1c[nH]c2ccccc12,0,0.0,
+COCCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COCCn1c(SCCN2CCCCC2)nc2ccccc2c1=O,0,0.0,
+COCCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COCCn1c(SCc2ccc(C(=O)OC)o2)nc2cc(Cl)ccc2c1=O,0,0.0,
+COCCn1c(SCc2ccc(C(=O)OC)o2)nc2ccccc2c1=O,0,0.0,
+COCCn1c(SCc2ccc(C(=O)OC)o2)nnc1-c1c[nH]c2ccccc12,0,0.0,
+COCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COCCn1c(SCc2cccnc2)nnc1-c1c[nH]c2ccccc12,0,0.0,
+COCCn1c(SCc2cccnc2)nnc1-c1ccco1,1,100.0,0.0
+COCCn1c(SCc2cnc(-c3ccccc3)s2)nnc1-c1ccncc1,0,0.0,
+COCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc21,0,0.0,
+COCCn1c(SCc2nc3ccccc3s2)nc2ccccc21,0,0.0,
+COCCn1c(SCc2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCC3,0,0.0,
+COCCn1c(Sc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COCCn1c(Sc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COCCn1c(Sc2nc(C)cs2)nc2c1c(=O)[nH]c(=O)n2C,1,100.0,0.0
+COCCn1cc(C(=O)N2CCC(C)CC2)c2c3ccccc3n(C)c2c1=O,0,0.0,
+COCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c2c3ccccc3n(C)c2c1=O,0,0.0,
+COCCn1cc(C(=O)N2CCCC(C)C2)c2c3ccccc3n(C)c2c1=O,0,0.0,
+COCCn1cc(C(=O)N2CCN(C)CC2)c2c3ccccc3n(C)c2c1=O,0,0.0,
+COCCn1cc(C(=O)NCCCN2CCC(C)CC2)c2c3ccccc3n(C)c2c1=O,0,0.0,
+COCCn1cc(C(=O)NCc2cccs2)c2c3ccccc3n(C)c2c1=O,0,0.0,
+COCCn1cc(C(=O)c2ccccc2OCC(=O)Nc2cc(C)on2)cc(C#N)c1=O,0,0.0,
+COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccc(OC)c1OC,0,0.0,
+COCCn1cnc2c1c(=O)n(CC(=O)c1ccc3c(c1)OCCO3)c(=O)n2Cc1ccccc1,0,0.0,
+COCCn1cnc2cc(C)c(C)cc21,0,0.0,
+COCCn1cnnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+COCCn1cnnc1SCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+COCCn1nnnc1C(C(C)C)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O,0,0.0,
+COCCn1nnnc1C(C(C)C)N(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O,0,0.0,
+COCCn1nnnc1C(C(C)C)N(Cc1cccnc1)Cc1ccccc1Cl,0,0.0,
+COCCn1nnnc1C(C(C)C)N1CCC(Cc2ccccc2)CC1,0,0.0,
+COCCn1nnnc1C(C(C)C)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+COCCn1nnnc1C(C(C)C)N1CCOCC1,0,0.0,
+COCCn1nnnc1C(CC(C)C)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+COCCn1nnnc1C(CC(C)C)N1CCN(c2cccc(OC)c2)CC1,0,0.0,
+COCCn1nnnc1C(c1cc(OC)ccc1OC)N1CCc2ccccc2C1,0,0.0,
+COCCn1nnnc1C(c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCCCCC1,0,0.0,
+COCCn1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+COCCn1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCCCCC1,0,0.0,
+COCCn1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCN(C2CCCCC2)CC1,0,0.0,
+COCCn1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N1CCC(Cc2ccccc2)CC1,0,0.0,
+COCCn1nnnc1C(c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccco1)Cc1cccs1,0,0.0,
+COCCn1nnnc1C(c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(C2CCCCC2)CC1,0,0.0,
+COCCn1nnnc1C(c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc2C1,0,0.0,
+COCCn1nnnc1C(c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+COCCn1nnnc1C(c1ccc(C)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+COCCn1nnnc1C(c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+COCCn1nnnc1C(c1ccc(O)c(OC)c1)N1CCc2ccccc2C1,0,0.0,
+COCCn1nnnc1C(c1ccc(OC)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+COCCn1nnnc1C(c1ccc(OC)c(OC)c1)N1CCc2ccccc21,0,0.0,
+COCCn1nnnc1C(c1ccc(OC)cc1)N1CCC(C)CC1,0,0.0,
+COCCn1nnnc1C(c1ccc(OC)cc1)N1CCN(c2ccccc2F)CC1,0,0.0,
+COCCn1nnnc1C(c1ccc(OC)cc1OC)N1CCN(c2ccccc2)CC1,0,0.0,
+COCCn1nnnc1C(c1ccc(OC)cc1OC)N1CCN(c2ccccc2F)CC1,0,0.0,
+COCCn1nnnc1C(c1ccc2ncccc2c1)N1CCN(c2ccccc2F)CC1,0,0.0,
+COCCn1nnnc1C(c1cccc(C#N)c1)N1CCCCCC1,0,0.0,
+COCCn1nnnc1C(c1cccc(OC)c1OC)N1CCN(C2CCCCC2)CC1,0,0.0,
+COCCn1nnnc1C(c1ccccc1)N1CCN(C)CC1,0,0.0,
+COCCn1nnnc1C(c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+COCCn1nnnc1C(c1ccccc1Cl)N1CCN(c2ccccc2OC)CC1,0,0.0,
+COCCn1nnnc1C(c1ccccc1OC)N1CCN(c2ccccc2)CC1,0,0.0,
+COCCn1nnnc1C(c1ccccc1OC)N1CCN(c2ccccc2F)CC1,0,0.0,
+COCCn1nnnc1C(c1ccccc1OC)N1CCc2ccccc2C1,0,0.0,
+COCCn1nnnc1C(c1ccccn1)N(CCc1ccccc1)Cc1cccs1,0,0.0,
+COCCn1nnnc1C(c1ccccn1)N1CCN(c2cc(C)ccc2C)CC1,0,0.0,
+COCCn1nnnc1C(c1cccs1)N1CCN(c2cc(C)ccc2C)CC1,0,0.0,
+COCCn1nnnc1C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+COCCn1nnnc1C(c1cccs1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+COCCn1nnnc1C1(N(Cc2cc3cc(C)ccc3[nH]c2=O)CC2CCCO2)CCN(C)CC1,0,0.0,
+COCCn1nnnc1CN(CCCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,0,0.0,
+COCCn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O,0,0.0,
+COCCn1nnnc1CN(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O,0,0.0,
+COCCn1nnnc1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1,0,0.0,
+COCCn1nnnc1CN(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O,0,0.0,
+COCCn1nnnc1CN1C2CCCC1CC(NC(C)=O)C2,0,0.0,
+COCCn1nnnc1CN1CCC(Cc2ccccc2)CC1,0,0.0,
+COCCn1nnnc1CN1CCC(NC(=O)Nc2cccc(OC)c2)CC1,0,0.0,
+COCCn1nnnc1CN1CCC(NC(=O)c2ccc(Br)cc2)CC1,0,0.0,
+COCCn1nnnc1CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+COCCn1nnnc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+COCCn1nnnc1CN1CCN2CCCC2C1,0,0.0,
+COCCn1nnnc1CN1CCOCC1,0,0.0,
+COCCn1nnnc1SCC(=O)N1CCCCC1,0,0.0,
+COCCn1nnnc1SCC(=O)c1ccccc1,0,0.0,
+COCN(C#N)c1nc(OC)nc(OC)n1,0,0.0,
+COCNc1nc(OCC#N)nc(N(C)C)n1,0,0.0,
+COCON1C(=O)CN(C(C)=O)C1c1ccc(Cl)cc1Cl,0,0.0,
+COCc1[nH]nc2c1C(C1C=CCCC1)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C(c1c(F)cccc1Cl)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C(c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C(c1ccc(F)cc1F)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C(c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C(c1ccc(OC)cc1)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C(c1cccc(OC)c1)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C(c1ccccc1Cl)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C(c1ccccc1F)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C(c1ccccc1OC)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C(c1ccnc3ccccc13)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C(c1ccsc1)C(C#N)=C(N)O2,1,100.0,0.0
+COCc1[nH]nc2c1C(c1sccc1C)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C1(CCC3(CC1)OCCO3)C(C#N)=C(N)O2,0,0.0,
+COCc1[nH]nc2c1C1(CCSCC1)C(C#N)=C(N)O2,0,0.0,
+COCc1c(Br)c(C)nc(OCC(=O)O)c1C#N,0,0.0,
+COCc1c(C(=O)OCC(=O)N2c3ccccc3CC2C)oc2ccccc12,0,0.0,
+COCc1c(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)oc2ccccc12,0,0.0,
+COCc1c(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)oc2ccccc12,0,0.0,
+COCc1c(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)oc2ccccc12,0,0.0,
+COCc1c(C(N)=O)nnn1-c1nonc1N,0,0.0,
+COCc1c(C)cc(C)c(/C=N/O)c1C,1,100.0,
+COCc1c(CN)cnc(C)c1N,0,0.0,
+COCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(C)cc2)n1,0,0.0,
+COCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(Oc3ccccc3)cc2)n1,0,0.0,
+COCc1cc(=O)[nH]c(Nc2nc(C)c3ccc(C)cc3n2)n1,0,0.0,
+COCc1cc(=O)[nH]c(Nc2nc3ccc(C)cc3o2)n1,0,0.0,
+COCc1cc(=O)[nH]c(Nc2nc3ccccc3o2)n1,0,0.0,
+COCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1,0,0.0,
+COCc1cc(=O)n2[nH]c(-c3cccc(Br)c3)cc2n1,0,0.0,
+COCc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1,0,0.0,
+COCc1cc(=O)n2[nH]c(C)cc2n1,0,0.0,
+COCc1cc(=O)n2c(-c3ccc(C)cc3)n[nH]c2n1,0,0.0,
+COCc1cc(=O)n2c(-c3ccccc3OC)n[nH]c2n1,0,0.0,
+COCc1cc(C)[nH]c(=O)c1C#N,0,0.0,
+COCc1cc(C)c(C#N)c(=S)[nH]1,0,0.0,
+COCc1cc(C)c2c(N)c(C#N)sc2n1,0,0.0,
+COCc1cc(C)n(CC(=O)NC(C)c2ccccc2)c(=O)c1C#N,0,0.0,
+COCc1cc(C)n(CC(=O)Nc2ccccc2C(=O)OC)c(=O)c1C#N,0,0.0,
+COCc1cc(C)n(CC(=O)Nc2ccccc2OC)c(=O)c1C#N,0,0.0,
+COCc1cc(C)nc(N)c1C#N,0,0.0,
+COCc1cc(C)nc(N2CCOCC2)c1C#N,0,0.0,
+COCc1cc(C)nc(N2CCc3ccccc32)c1C#N,0,0.0,
+COCc1cc(C)nc(NC2CCCCC2)c1C#N,0,0.0,
+COCc1cc(C)nc(Nc2cc(C)ccc2C)c1C#N,0,0.0,
+COCc1cc(C)nc(Nc2ccc(C)c(C)c2)c1C#N,0,0.0,
+COCc1cc(C)nc(Nc2ccc(C)cc2C)c1C#N,0,0.0,
+COCc1cc(C)nc(Nc2ccccc2C)c1C#N,0,0.0,
+COCc1cc(C)nc(SCC(=O)N2CCC(C)CC2)c1C#N,0,0.0,
+COCc1cc(C)nc(SCC(=O)NCc2ccco2)c1C#N,0,0.0,
+COCc1cc(C)nc(SCC(=O)Nc2cc3c(cc2C#N)OCO3)c1C#N,0,0.0,
+COCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(C)c2)c1C#N,0,0.0,
+COCc1cc(C)nc(SCC(=O)Nc2ccc3c(c2)OCO3)c1C#N,0,0.0,
+COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2)c1C#N,0,0.0,
+COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2C)c1C#N,0,0.0,
+COCc1cc(C)nc(SCC(=O)Nc2cccc3cccnc23)c1C#N,1,100.0,0.0
+COCc1cc(C)nc(SCC(=O)Nc2ccccc2C)c1C#N,0,0.0,
+COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N,0,0.0,
+COCc1cc(C)nc2sc(C(=O)N3CCCC3)c(N)c12,0,0.0,
+COCc1cc(C)nc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(N)c12,0,0.0,
+COCc1cc(C)nc2sc(C(=O)Nc3nccs3)c(N)c12,0,0.0,
+COCc1cc(C)nc2sc(C(=O)OC(C)C)c(N)c12,0,0.0,
+COCc1cc(C)nc2sc(C(=O)OC)c(N)c12,0,0.0,
+COCc1cc(C)nc2sc3c(=O)n(Cc4ccco4)nnc3c12,0,0.0,
+COCc1cc(C)nc2sc3c(=O)oc(C)nc3c12,0,0.0,
+COCc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOCCO)ccc1O,0,0.0,
+COCc1cc(C2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)ccc1OC,0,0.0,
+COCc1cc(CN2CCCC2)c(O)c2ncccc12,0,0.0,
+COCc1ccc2oc(C(=O)O)cc2c1,0,0.0,
+COCc1ccccc1Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COCc1n[nH]c(=S)n1-c1cccc2ccccc12,0,0.0,
+COCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1,0,0.0,
+COCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1,0,0.0,
+COCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1,0,0.0,
+COCc1nc(-c2ccc(-c3ccccc3)nc2OC)no1,0,0.0,
+COCc1nc2ccccc2n1CCCOc1ccccc1,0,0.0,
+COCc1nc2ccccc2n1CCOc1ccccc1OC,0,0.0,
+COCc1nc2ccccc2n1Cc1ccc(Br)cc1,0,0.0,
+COCc1nc2ccccc2n1Cc1ccccc1,0,0.0,
+COCc1nc2ccccc2n1Cc1ccccc1Br,0,0.0,
+COCc1nn2c(N)c(C#N)cnc2c1-c1ccccc1,0,0.0,
+COCc1nnc(N)s1,0,0.0,
+COCc1nnc(NC(=O)C(C)C)s1,0,0.0,
+COCc1nnc(NC(=O)CC(C)c2ccccc2)s1,0,0.0,
+COCc1nnc(NC(=O)CCC2CCCCC2)s1,0,0.0,
+COCc1nnc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)s1,0,0.0,
+COCc1nnc(NC(=O)CCCOc2ccccc2)s1,0,0.0,
+COCc1nnc(NC(=O)CCCOc2ccccc2OC)s1,0,0.0,
+COCc1nnc(NC(=O)CCc2ccccc2)s1,0,0.0,
+COCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1,0,0.0,
+COCc1nnc(NC(=O)CSc2ccc(C)cc2)s1,0,0.0,
+COCc1nnc(NC(=O)CSc2ccccc2)s1,0,0.0,
+COCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1,0,0.0,
+COCc1nnc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)s1,0,0.0,
+COCc1nnc(NC(=O)c2ccc(NC(C)=O)cc2)s1,0,0.0,
+COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1,0,0.0,
+COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)o1,0,0.0,
+COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1,0,0.0,
+COCc1nnc(NC(=O)c2ccco2)s1,0,0.0,
+COCc1nnc(NC(=O)c2cccs2)s1,0,0.0,
+COCc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1,0,0.0,
+COCc1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1,0,0.0,
+COCc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1,0,0.0,
+COCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1,0,0.0,
+COCc1nnc(NS(=O)(=O)c2ccccc2)s1,0,0.0,
+COCc1nnc(SCC(=O)NC(C)c2ccccc2)n1-c1ccccc1,0,0.0,
+COCc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1,0,0.0,
+COCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1-c1ccccc1,0,0.0,
+COCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21,0,0.0,
+COCn1c(-c2cccc(Br)c2)nc2ccccc21,0,0.0,
+COCn1c(-c2ccccc2)nc2ccccc21,0,0.0,
+COCn1c(COc2ccccc2)nc2ccccc21,0,0.0,
+CON(C)C(=O)Nc1ccc(Cl)cc1,0,0.0,
+CON(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2C)nc(N(C)C)n1,0,0.0,
+CON(C)c1nc(OCCNC(=O)OCc2ccc(Cl)cc2Cl)nc(N(C)C)n1,0,0.0,
+CON(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1,0,0.0,
+COP(=O)(/C=C/c1ccccc1)C(O)c1ccc(F)cc1,0,0.0,
+COP(=O)(OC)C(O)C(Cl)(Cl)Cl,0,0.0,
+COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O,0,0.0,
+COP(C)(=O)c1c(C)nn(-c2ccccc2)c1C,0,0.0,
+COP1(=S)c2c(C)nn(CCC#N)c2N=C(c2ccc(F)cc2)N1C,0,0.0,
+CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,0,0.0,
+CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,0,0.0,
+CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C1C,0,0.0,
+COc1[nH]c(/N=C/c2ccccc2)c(C#N)c1C#N,0,0.0,
+COc1c(Br)cc(Br)cc1/C=N/n1c(C)nnc1C,0,0.0,
+COc1c(Br)cc(Br)cc1C(=O)O,0,0.0,
+COc1c(Br)cc2c(C)c(C(=O)N3CCOCC3)oc2c1Br,0,0.0,
+COc1c(Br)cc2c(C)c(C(=O)O)oc2c1Br,0,0.0,
+COc1c(C(=O)N2CCCC2)ccc2ccccc12,0,0.0,
+COc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc2ccccc12,0,0.0,
+COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1,0,0.0,
+COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,1,100.0,0.0
+COc1c(C)cc(Br)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1,0,0.0,
+COc1c(C)cc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1,0,0.0,
+COc1c(C)cc(Br)cc1C(=O)O,1,100.0,0.0
+COc1c(C)cccc1C(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C,0,0.0,
+COc1c(C)cccc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1,0,0.0,
+COc1c(C)cccc1C(=O)Nc1ccc(CN2CCOCC2)cc1,0,0.0,
+COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+COc1c(Cl)cc(-c2noc(C)c2C(=O)NC(C)C)cc1Cl,0,0.0,
+COc1c(Cl)cc(-c2noc(C)c2C(=O)NCc2ccc3c(c2)OCO3)cc1Cl,0,0.0,
+COc1c(Cl)cc(Cl)cc1/C=N/n1cnnc1,0,0.0,
+COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1,0,0.0,
+COc1c(Cl)ccc(Cl)c1C(=O)NC(=O)N1CCOCC1,0,0.0,
+COc1c(F)c(F)c(-c2csc(N)n2)c(F)c1F,0,0.0,
+COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(F)c1F,0,0.0,
+COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(F)c1F,0,0.0,
+COc1c(F)c(F)c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c(F)c1F,0,0.0,
+COc1c(F)c(F)c(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c(F)c1F,0,0.0,
+COc1c(F)c(F)c(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)c(F)c1F,0,0.0,
+COc1c(N)c2ccccc2[nH]c1=O,0,0.0,
+COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,0,0.0,
+COc1c(O)ccc2cnn(-c3ccccc3C)c(=O)c12,0,0.0,
+COc1c(O)cccc1-c1nnn(CCC(=O)OCC(=O)c2ccccc2)n1,0,0.0,
+COc1c(S(=O)(=O)N2CCCC2)ccc(Cl)c1Cl,0,0.0,
+COc1c(S(=O)(=O)N2CCCCC2)ccc2c(S(=O)(=O)N3CCCCC3)cccc12,0,0.0,
+COc1c(S(=O)(=O)n2nc(C)cc2C)ccc(Cl)c1Cl,0,0.0,
+COc1c2c(nc3ccccc13)OC(C(C)(O)COC(C)=O)C2,0,0.0,
+COc1c2c(nc3occc13)C(CCC(C)(C)O)(OC)C(O)CC2,0,0.0,
+COc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)O)ccc12,0,0.0,
+COc1c2occc2c(OC)c2c(=O)cc(C(F)(F)C(F)(F)F)oc12,0,0.0,
+COc1c2occc2c(OC)c2c(=O)cc(C)oc12,0,0.0,
+COc1c2occc2cc2ccc(=O)oc12,0,0.0,
+COc1c[nH]n(C2CCCCC2)c(=O)c1=O,0,0.0,
+COc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)ccc1O,0,0.0,
+COc1cc(-c2c(C#N)c(N)nc(SCc3ccncc3)c2C#N)cc(OC)c1OC,0,0.0,
+COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)cc(OC)c1OC,0,0.0,
+COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1O,0,0.0,
+COc1cc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc(OC)c1OC,1,100.0,0.0
+COc1cc(-c2cc(C(=O)O)c3c(OC)c(OC)c(OC)cc3n2)ccc1O,0,0.0,
+COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)ccc1O,0,0.0,
+COc1cc(-c2cc3nc(C)c(C)c(=O)n3[nH]2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2ccc(NC(=O)CN3CCCCC3)c(OC)c2)ccc1NC(=O)CN1CCCCC1,0,0.0,
+COc1cc(-c2ccccc2)nc(N)n1,0,0.0,
+COc1cc(-c2cccs2)cc(=O)c2c(C)oc(C)c12,0,0.0,
+COc1cc(-c2csc(C)n2)ccc1O,0,0.0,
+COc1cc(-c2csc(N3CCOCC3)n2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2n[nH]c(=O)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(-c3ccc(-c4ccccc4)nc3OC)no2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(-c3ccc(Br)o3)no2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(-c3ccc(C)nc3OC)no2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)no2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(-c3ccccn3)no2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(-c3ccncc3)no2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(Cc3c(F)cccc3Cl)no2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(Cc3ccccc3Cl)no2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(N)n[nH]2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N(C)C)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)cc(OC)c1OC,1,100.0,0.0
+COc1cc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N(C)C)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCOCC3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc3ccccn3c2NCC2CCCO2)ccc1O,0,0.0,
+COc1cc(-c2nc3cnccc3n2C)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)ccc1O,0,0.0,
+COc1cc(-c2nc3cnccn3c2Nc2ccccc2)ccc1O,0,0.0,
+COc1cc(-c2nc3n(n2)C(c2ccc(F)cc2)C2=C(CCCC2=O)N3)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc3n(n2)C(c2cccc(OC)c2OC)C2=C(CCCC2=O)N3)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc3n(n2)C(c2ccncc2)C(C(N)=O)=C(C)N3)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2Cc2ccco2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nn3c(-c4ccccc4)nnc3s2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nn3c(-c4ccccn4)nnc3s2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nn3c(-c4cccnc4)nnc3s2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nn3c(-c4ccco4)nnc3s2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nn3c(C4CCCCC4)nnc3s2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nn3c(COc4ccccc4)nnc3s2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nn3c(Cc4ccccc4)nnc3s2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(-c3ccc(S(=O)(=O)c4ccccc4)cc3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(-c3cccnc3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(-c3ccco3)o2)ccc1OCc1ccccc1,0,0.0,
+COc1cc(-c2nnc(-c3cccs3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(-c3ccncc3)o2)ccc1OCc1ccccc1,0,0.0,
+COc1cc(-c2nnc(COC(=O)C3c4ccccc4Oc4ccccc43)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(COC(=O)CSc3cc(C)c4ccccc4n3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(COc3ccc4cc(Br)ccc4c3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(COc3ccc4ccccc4c3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(CSc3nc4ccccc4s3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(CSc3nnc4nc(C)cc(C)n34)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(Cn3cc(C(F)(F)F)ccc3=O)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(SCC#CCO)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc(OC)c1O,0,0.0,
+COc1cc(-c2nnc(SCC(=O)OC3CCCCC3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(SCC(=O)c3cc(C)n(CC4CCCO4)c3C)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(SCC(=O)c3ccccc3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(SCc3c(F)cccc3Cl)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(SCc3cc(=O)oc4cc(C)ccc34)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(SCc3ccccc3Cl)o2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc(SCc3cccnc3)n2C)cc(OC)c1O,0,0.0,
+COc1cc(-c2nnc3n2N=C(c2ccccc2)CS3)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc3sc(-c4ccccn4)nn23)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc3sc(-c4cccnc4)nn23)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc3sc(-c4ccco4)nn23)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc3sc(-c4cccs4)nn23)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc3sc(-c4ccncc4)nn23)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc3sc(C4CCCCC4)nn23)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnc3sc(Cc4ccccc4)nn23)cc(OC)c1OC,0,0.0,
+COc1cc(-c2nnn(CC#N)n2)ccc1OCc1ccccc1,0,0.0,
+COc1cc(-c2noc(-c3cccc(Cl)c3)n2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2noc(-c3ccco3)n2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2noc(-c3cccs3)n2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2noc(CCC(N)=O)n2)cc(OC)c1OC,0,0.0,
+COc1cc(-c2noc(CCCC(=O)NCc3ccco3)n2)cc(OC)c1OC,0,0.0,
+COc1cc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc(OC)c1OC,0,0.0,
+COc1cc(-n2c(C)nc3cc(C(=O)NCc4ccco4)ccc32)cc(OC)c1OC,0,0.0,
+COc1cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)cc(OC)c1OC,0,0.0,
+COc1cc(-n2cnnn2)ccc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1cc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccccc2)c(Cl)c(Br)c1O,0,0.0,
+COc1cc(-n2nnnc2SCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1Cl,0,0.0,
+COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)o1,0,0.0,
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,0,0.0,
+COc1cc(/C=C/C2=NC(=O)C(C)(C)O2)ccc1O,0,0.0,
+COc1cc(/C=N/O)ccc1OCc1ccc(C(=O)O)cc1,0,0.0,
+COc1cc(/C=N/n2c(C)nnc2C)cc(OC)c1OC,0,0.0,
+COc1cc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)ccc1O,0,0.0,
+COc1cc(/C=N/n2cnnc2)ccc1OC(=O)N(C)C,0,0.0,
+COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1cccnc1,0,0.0,
+COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1ccncc1,0,0.0,
+COc1cc(/C=N/n2cnnc2)ccc1OCC(=O)N1CCOCC1,0,0.0,
+COc1cc(/C=N/n2cnnc2)ccc1OCCOc1ccccc1,0,0.0,
+COc1cc(/C=N/n2nnnc2N)ccc1O,0,0.0,
+COc1cc(/C=N\n2nnnc2N)ccc1OCc1ccc(F)cc1,0,0.0,
+COc1cc(/C=c2\s/c(=C(/C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)ccc1O,0,0.0,
+COc1cc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)ccc1OC(C)=O,0,0.0,
+COc1cc(=O)[nH]c(=O)n1C(=O)Cc1ccccc1,0,0.0,
+COc1cc(=O)[nH]c(=O)n1CC(=O)c1ccccc1,0,0.0,
+COc1cc(=O)[nH]c(SCc2c(F)c(F)c(F)c(F)c2F)n1,0,0.0,
+COc1cc(=O)n(C)c2cc(N(C)C)ccc12,0,0.0,
+COc1cc(=O)n2c(-c3ccccc3)csc2n1,0,0.0,
+COc1cc(Br)c(CC(=O)O)cc1OC,0,0.0,
+COc1cc(Br)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC,0,0.0,
+COc1cc(Br)cc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C)c1O,0,0.0,
+COc1cc(Br)cc(/C=N/c2ncn[nH]2)c1O,0,0.0,
+COc1cc(Br)cc(CN2CCN(C)CC2)c1O,1,100.0,1.0
+COc1cc(Br)cc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O,1,100.0,1.0
+COc1cc(Br)cc(CN2CCN(C=O)CC2)c1O,0,0.0,
+COc1cc(Br)cc2cc(C(=O)N3CCCCC3C)c(=O)oc12,0,0.0,
+COc1cc(Br)cc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12,0,0.0,
+COc1cc(C#CC#CCN2CCCCC2)ccc1O,0,0.0,
+COc1cc(C#N)ccc1OCC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+COc1cc(C(=O)COC(=O)Cc2cnc3sccn23)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)CSc2nc3ccccc3o2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)CSc2nnc(-c3ccc(O)cc3)n2CC2CCCO2)ccc1NC(C)=O,0,0.0,
+COc1cc(C(=O)CSc2nncn2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N(C)c2nnc(-c3cccnc3)s2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N(CCc2ccccc2)C2CC3CCC(C2)N3C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N(Cc2ccccn2)CC2CCCO2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N(Cc2ccco2)Cc2cc3ccccc3[nH]c2=O)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccc(C)cc3)NC(C)=O)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccccc3)NC(C)=O)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccccc3C)NC(C)=O)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCC(c3nc(-c4cccnc4)no3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCCN(c3nc4cc(C)ccc4cc3C#N)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCN(C(=O)C(Cc3cc(C)ccc3C)NC(C)=O)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc(OC)c1OC,1,100.0,1.0
+COc1cc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2CCN=C2c2ccccc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)N2c3ccccc3CC2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NC2=NCCS2)ccc1OCc1c(C)noc1C,0,0.0,
+COc1cc(C(=O)NC2CC3CCCC(C2)N3C2CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NC2CCN(Cc3nnnn3Cc3cccs3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCC(=O)n2nc(C)cc2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCC(c2cccnc2)N2CCN(C)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCC(c2ccco2)N2CCCC2)ccc1OCc1c(C)noc1C,0,0.0,
+COc1cc(C(=O)NCC2CCCO2)ccc1OCc1c(C)noc1C,0,0.0,
+COc1cc(C(=O)NCCC(=O)NC2CCCCCCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCCC(=O)NCCCN2CCCCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCCC(=O)NCCCN2CCCCC2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCCC(=O)NCCN2CCCCCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCCC(=O)NCCN2CCOCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCCC(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCCC2=CCCCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCCc2ccc3c(c2)OCCO3)ccc1OCC(=O)N1CCOCC1,0,0.0,
+COc1cc(C(=O)NCCc2cn3ccc(C)cc3n2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCCc2cn3ccccc3n2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCCc2nc3ccccc3n2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1c(C)noc1C,0,0.0,
+COc1cc(C(=O)NCc2ccco2)c(Br)c(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCc2ccco2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCc2cn3cccc(C)c3n2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCc2cn3ccccc3n2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCc2cn3ccsc3n2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCc2nnc(SCC(=O)N3CCC(C)CC3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)o2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCc2nnc(SCC(=O)NCc3ccccc3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2c(-c3ccccn3)c(=O)c3ccccc3n2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2c(C)cc(C)cc2C)c(-n2cnnn2)cc1OC,0,0.0,
+COc1cc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2cc(C)ccn2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2cc(Cl)ccc2C)c(-n2cnnn2)cc1OC,0,0.0,
+COc1cc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccc(N(C)C)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccc(NC(=O)C(C)C)nc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)nc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)ccc1OC(C)=O,0,0.0,
+COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)O)C3=O)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnn2)cc1OC,0,0.0,
+COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1-n1cnnn1,0,0.0,
+COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(C)C,0,0.0,
+COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F,0,0.0,
+COc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1-n1cnnn1,0,0.0,
+COc1cc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2cccc(-c3nncn3C)c2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2cccc3ncccc23)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccccn2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2ccncc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2cnc(NC(=O)C(C)C)cc2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2nc(-c3cccs3)cs2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2nc(OC)c(-c3ccccc3)c(OC)n2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2nccs2)c(Br)c(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2nccs2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2nccs2)ccc1OCc1c(C)noc1C,0,0.0,
+COc1cc(C(=O)Nc2nnc(-c3sccc3C)s2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2nnc(C)s2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2nnc(CC(=O)N3CCOCC3)s2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)O)cc(Br)c1OC1CCCC1,0,0.0,
+COc1cc(C(=O)O)cc(OC)c1OCc1cc(C(=O)O)oc1C,0,0.0,
+COc1cc(C(=O)O)ccc1OC(C)=O,0,0.0,
+COc1cc(C(=O)O)ccc1OCC(=O)N1CCOCC1,0,0.0,
+COc1cc(C(=O)O)nc2ccccc12,0,0.0,
+COc1cc(C(=O)OC(C)C(=O)N2CCc3ccccc3C2)ccc1OCC(=O)N1CCOCC1,0,0.0,
+COc1cc(C(=O)OC(C)CN2CCCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)OC(C)CN2CCN(C)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)OC(C)CN2CCOCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)OC2CCCCC2=O)cc(OC)c1C,0,0.0,
+COc1cc(C(=O)OC2CCN(C)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)OCC(=O)N2CCCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)OCC(=O)NC2CCCC2)cc(NC(=O)c2ccco2)c1OC,0,0.0,
+COc1cc(C(=O)OCC(=O)NCc2ccco2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)ccc1OCc1ccccc1Cl,0,0.0,
+COc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1OCc1c(C)noc1C,0,0.0,
+COc1cc(C(=O)OCC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1,0,0.0,
+COc1cc(C(=O)OCC(=O)c2cc(C)n(C)c2C)cc(NC(=O)c2ccco2)c1OC,0,0.0,
+COc1cc(C(=O)OCC(=O)c2cc(C)n(C)c2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)OCCN2CCCCC2)ccc1O,0,0.0,
+COc1cc(C(=O)OCCN2CCOCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)OCCN2CCOCC2)ccc1O,0,0.0,
+COc1cc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)OCn2nnc3ccccc3c2=O)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc23)cc(OC)c1OC,0,0.0,
+COc1cc(C(=O)Oc2ccccc2)ccc1OCc1c(C)noc1C,0,0.0,
+COc1cc(C(=O)Oc2ccccc2N)cc(OC)c1OC,0,0.0,
+COc1cc(C(=S)N(C)C)ccc1O,0,0.0,
+COc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1O,0,0.0,
+COc1cc(C(=S)N2CCCC2)cc(Cl)c1O,1,100.0,0.0
+COc1cc(C(=S)N2CCCC2)ccc1O,0,0.0,
+COc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)N1CCCC1,0,0.0,
+COc1cc(C(C#N)N2CCCCC2)ccc1O,0,0.0,
+COc1cc(C(C#N)N2CCOCC2)ccc1O,0,0.0,
+COc1cc(C(C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)c2cnccn2)cc(OC)c1OC,0,0.0,
+COc1cc(C(C)=O)ccc1OC(=O)C(C)N1C(=O)c2ccccc2C1=O,0,0.0,
+COc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(C2CC2)c1C,0,0.0,
+COc1cc(C(C)=O)ccc1OCC(O)CNCC1(N2CCCCC2)CCCCC1,0,0.0,
+COc1cc(C(N)=O)cc(Br)c1OC,0,0.0,
+COc1cc(C(N)=O)ccc1OCc1ccccc1,0,0.0,
+COc1cc(C(Nc2ccc3c(c2)OCO3)C(=O)NC2CCCCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc(OC)c1O,0,0.0,
+COc1cc(C(O)P(=O)(OC(C)C)c2ccc(N(C)C)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(O)P(=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(C(O)c2nc3ccccc3n2C)cc(OC)c1OC,0,0.0,
+COc1cc(C(c2nnnn2C(C)(C)C)N2CCN(C)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(c2nnnn2C(C)(C)C)N2CCN(c3nc4ccccc4s3)CC2)ccc1O,0,0.0,
+COc1cc(C(c2nnnn2C2CCCC2)N2CCN(C)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(c2nnnn2C2CCCC2)N2CCc3ccccc3C2)ccc1O,0,0.0,
+COc1cc(C(c2sc3nc(C)nn3c2O)N2CC(C)CC(C)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C(c2sc3nc(C)nn3c2O)N2CCC3(CC2)OCCO3)cc(OC)c1OC,0,0.0,
+COc1cc(C(c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(c2sc3nc(C)nn3c2O)N2CCOCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C(c2sc3nc(C)nn3c2O)N2CCc3ccccc3C2)cc(OC)c1OC,0,0.0,
+COc1cc(C(c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(C)c(-c2cc(C(=O)O)c(C)o2)cc1C(C)C,0,0.0,
+COc1cc(C)c(Br)cc1S(=O)(=O)N1CCCC1,0,0.0,
+COc1cc(C)c(Br)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1cc(C)c(C#N)c(OC)n1,0,0.0,
+COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1,0,0.0,
+COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCn1ccnc1,0,0.0,
+COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc(C)c1,0,0.0,
+COc1cc(C)c(C(N)=O)c(OC)n1,0,0.0,
+COc1cc(C)c(C)cc1S(=O)(=O)N1CCCCC1c1cccnc1,0,0.0,
+COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+COc1cc(C)c(CN2CCCCC2CO)cc1C,0,0.0,
+COc1cc(C)c(CN2CCN(c3ccccc3)CC2)cc1C,0,0.0,
+COc1cc(C)c(CNc2ccc(OC)c(OC)c2)cc1C,0,0.0,
+COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+COc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C,0,0.0,
+COc1cc(C)c(Cl)cc1S(=O)(=O)NCC1CCCO1,0,0.0,
+COc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccco1,0,0.0,
+COc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccncc1,0,0.0,
+COc1cc(C)c(N(C(C)=O)c2ccccc2)c(C)c1,0,0.0,
+COc1cc(C)c(N)cc1C(C)C,0,0.0,
+COc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C,0,0.0,
+COc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1C,0,0.0,
+COc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C,0,0.0,
+COc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C,0,0.0,
+COc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C,0,0.0,
+COc1cc(C)c(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)cc1C,0,0.0,
+COc1cc(C)c(S(=O)(=O)Nc2ccccc2F)cc1C,0,0.0,
+COc1cc(C)c(S(=O)(=O)n2ccc(C)n2)cc1C,0,0.0,
+COc1cc(C)c2occ(/C(C)=N\O)c2c1,0,0.0,
+COc1cc(C)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+COc1cc(C)nc(N(C)S(=O)(=O)c2ccccc2Cl)n1,0,0.0,
+COc1cc(C)nc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)n1,0,0.0,
+COc1cc(C)nc(N2CCC(C(=O)NC3CCCCC3)CC2)n1,0,0.0,
+COc1cc(C)nc(N2CCC(C(N)=O)CC2)n1,0,0.0,
+COc1cc(C)nc(N2CCCC(C(=O)NC3CCC(C)CC3)C2)n1,1,100.0,
+COc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3C)C2)n1,0,0.0,
+COc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3Cl)C2)n1,0,0.0,
+COc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2C)n1,0,0.0,
+COc1cc(C)nc(NCc2ccccc2)n1,0,0.0,
+COc1cc(C)nc(NS(=O)(=O)c2ccc(C)cc2)n1,0,0.0,
+COc1cc(C)nc(NS(=O)(=O)c2ccccc2)n1,0,0.0,
+COc1cc(C)nc(Nc2nc(C)c(C(C)=O)s2)n1,0,0.0,
+COc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2C)n1,0,0.0,
+COc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1,0,0.0,
+COc1cc(C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1,0,0.0,
+COc1cc(C)nc(Oc2ccc(/C=N/O)cc2)n1,0,0.0,
+COc1cc(C)nc(Oc2ccc(=O)[nH]n2)n1,0,0.0,
+COc1cc(C)nc(Oc2ccc(=O)n(C)n2)n1,0,0.0,
+COc1cc(C)nc(Oc2ccc(OCCOc3ccc(C)cc3)nn2)n1,0,0.0,
+COc1cc(C)nc(SCC(N)=O)n1,0,0.0,
+COc1cc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCC(=O)O)ccc1O,0,0.0,
+COc1cc(C2/C(=C(/O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)ccc1O,0,0.0,
+COc1cc(C2/C(=C(\O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)ccc1O,0,0.0,
+COc1cc(C2/C(=C(\O)c3ccc4c(c3)CC(C)O4)C(=O)C(=O)N2CCCn2ccnc2)ccc1O,0,0.0,
+COc1cc(C2=NOC(C(=O)N3CCCCCC3)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2=NOC(C(=O)N3CCCc4ccccc43)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2=NOC(C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2=NOC(C(=O)N3CCOCC3)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2=NOC(C(=O)NC3CCCCC3)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2=NOC(C(=O)NCc3ccco3)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2=NOC(C(=O)Nc3ccc(C(C)=O)cc3)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2=NOC(C(=O)Nc3ccc(C)cc3)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2=Nc3c(c(C)nn3-c3ccccc3)P(=O)(N3CCOCC3)O2)cc(OC)c1OC,0,0.0,
+COc1cc(C2C(=O)N(C3CCCC3)CC(=O)N2Cc2ccco2)ccc1OC(C)C,0,0.0,
+COc1cc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O,0,0.0,
+COc1cc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O,0,0.0,
+COc1cc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCCO,0,0.0,
+COc1cc(C2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc(OC)c1OC,0,0.0,
+COc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)N1CCOCC1,0,0.0,
+COc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC(=O)N1CCOCC1,0,0.0,
+COc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC(=O)N1CCOCC1,0,0.0,
+COc1cc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc(OC)c1OC,0,0.0,
+COc1cc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OC(C)C,0,0.0,
+COc1cc(C2C(C#N)=C(N)Oc3cc(C)n(CC4CCCO4)c(=O)c32)cc2c1OCO2,0,0.0,
+COc1cc(C2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc(OC)c1OC,0,0.0,
+COc1cc(C2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc2c1OCO2,0,0.0,
+COc1cc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc2c1OCO2,1,100.0,
+COc1cc(C2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc2c1OCO2,0,0.0,
+COc1cc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc2c1OCO2,0,0.0,
+COc1cc(C2C(C#N)=C(N)Oc3cc(N)ccc32)cc(OC)c1OC,0,0.0,
+COc1cc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc2c1OCO2,0,0.0,
+COc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccncc4)c32)cc(OC)c1OC,0,0.0,
+COc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc2c1OCO2,1,100.0,0.0
+COc1cc(C2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O,0,0.0,
+COc1cc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CCC3)ccc1OC(C)=O,0,0.0,
+COc1cc(C2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc(CCCO)nn32)cc(OC)c1OC,0,0.0,
+COc1cc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)ccc1O,0,0.0,
+COc1cc(C2C(C(=O)OC(C)C)=C(C)Nc3[nH]c(=O)[nH]c(=O)c32)ccc1O,0,0.0,
+COc1cc(C2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc(OC)c1OC,0,0.0,
+COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCc2ccccc2)ccc1O,0,0.0,
+COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)ccc1O,0,0.0,
+COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc(Br)c1O,0,0.0,
+COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc(OC)c1OC,0,0.0,
+COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1O,0,0.0,
+COc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)ccc1O,0,0.0,
+COc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC,0,0.0,
+COc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc(Br)c1O,0,0.0,
+COc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC,0,0.0,
+COc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)ccc1O,0,0.0,
+COc1cc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC,0,0.0,
+COc1cc(C2C(C(C)=O)=C(C)Nc3ncnn32)ccc1O,0,0.0,
+COc1cc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O,0,0.0,
+COc1cc(C2C(C(C)=O)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)ccc1O,0,0.0,
+COc1cc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(Br)cn2)ccc1O,0,0.0,
+COc1cc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)cc(OC)c1OC,0,0.0,
+COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C(=O)N2C)cc(OC)c1OC,0,0.0,
+COc1cc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)ccc1O,0,0.0,
+COc1cc(C2C3=C(CC(c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC,0,0.0,
+COc1cc(C2C3=C(Nc4ncnn42)c2ccccc2CC3)cc(OC)c1OC,0,0.0,
+COc1cc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3ON2c2ccccc2)cc(OC)c1O,0,0.0,
+COc1cc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3ON2c2ccccc2)cc(OC)c1OC,0,0.0,
+COc1cc(C2C3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1O,0,0.0,
+COc1cc(C2C3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)cc(OC)c1OC,0,0.0,
+COc1cc(C2C3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1O,0,0.0,
+COc1cc(C2C3C(C)N(C)C(=O)N(C)C3N(C)C(=O)N2C)ccc1O,0,0.0,
+COc1cc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C,0,0.0,
+COc1cc(C2CC(=O)C=C(O)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2CC(=O)N(CC(=O)NCc3ccco3)c3ccccc3S2)cc(OC)c1OC,0,0.0,
+COc1cc(C2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)ccc1OCc1ccccc1,0,0.0,
+COc1cc(C2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc(OC)c1OC,0,0.0,
+COc1cc(C2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)ccc1O,0,0.0,
+COc1cc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O,0,0.0,
+COc1cc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1O,0,0.0,
+COc1cc(C2CC(=O)Nc3ccccc3S2)cc(OC)c1OC,0,0.0,
+COc1cc(C2CC(=O)c3c([nH]c(C(=O)OCCOC(C)C)c3C)C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2CC(=O)c3cnc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2CC(=O)c3cnc(NC(=O)COc4ccccc4)nc3C2)cc(OC)c1OC,0,0.0,
+COc1cc(C2CC(C(F)(F)F)n3ncc(C(=O)O)c3N2)cc(OC)c1OC,0,0.0,
+COc1cc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc(OC)c1OC,0,0.0,
+COc1cc(C2N(c3ccc(Cl)c(Cl)c3)C(=O)C3CCCN32)cc(OC)c1OC,0,0.0,
+COc1cc(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)cc(OC)c1OC,0,0.0,
+COc1cc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc(OC)c1OC,1,100.0,0.0
+COc1cc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)cc(OC)c1OC,0,0.0,
+COc1cc(C2N(c3ccccc3)CCN2c2ccccc2)cc(OC)c1OC,0,0.0,
+COc1cc(C2N(c3ccccc3)CCN2c2ccccc2)ccc1OC(C)=O,0,0.0,
+COc1cc(C2N(c3ccccn3)C(=O)C3CCCN32)cc(OC)c1OC,0,0.0,
+COc1cc(C2N3CC4(C)CN2CC(C)(C3)C4)ccc1O,0,0.0,
+COc1cc(C2N=C(c3ccccc3)NO2)cc(Br)c1O,0,0.0,
+COc1cc(C2NC(=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OC,0,0.0,
+COc1cc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC,0,0.0,
+COc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)ccc1OCC(=O)O,0,0.0,
+COc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)ccc1OCC(N)=O,0,0.0,
+COc1cc(C2NC(=O)NC(C)=C2C(=O)OC2CCCC(C)C2)ccc1O,0,0.0,
+COc1cc(C2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc(Br)c1O,0,0.0,
+COc1cc(C2NC(=O)NC(C)=C2C(=O)OCC2CCCO2)ccc1O,0,0.0,
+COc1cc(C2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)ccc1O,0,0.0,
+COc1cc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccc(Cl)cc2)ccc1O,0,0.0,
+COc1cc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2cccs2)ccc1O,0,0.0,
+COc1cc(C2NC(=O)NC(O)(C(F)(F)F)C2C(C)=O)cc(OC)c1OC,0,0.0,
+COc1cc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)ccc1OCC#N,0,0.0,
+COc1cc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)ccc1OCC(=O)O,0,0.0,
+COc1cc(C2NC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC,0,0.0,
+COc1cc(C2NC(=O)c3ccccc3O2)cc(OC)c1OC,0,0.0,
+COc1cc(C2NCc3ccccc3-n3cccc32)ccc1O,1,100.0,0.0
+COc1cc(C2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)cc(OC)c1OC,0,0.0,
+COc1cc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc(OC)c1O,0,0.0,
+COc1cc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1O,0,0.0,
+COc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1O,0,0.0,
+COc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1OC(C)=O,0,0.0,
+COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OC(C)=O,0,0.0,
+COc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2OC)ccc1O,0,0.0,
+COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,0,0.0,
+COc1cc(C2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCO)cc(OC)c1OC,0,0.0,
+COc1cc(C2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O,0,0.0,
+COc1cc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)ccc1O,0,0.0,
+COc1cc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(Br)cc2)ccc1O,0,0.0,
+COc1cc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)ccc1O,0,0.0,
+COc1cc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC,0,0.0,
+COc1cc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)ccc1O,0,0.0,
+COc1cc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1O,0,0.0,
+COc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc(OC)c1OC,0,0.0,
+COc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc(OC)c1OC,0,0.0,
+COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC,0,0.0,
+COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC,0,0.0,
+COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)ccc1O,0,0.0,
+COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)ccc1O,0,0.0,
+COc1cc(C2c3sc(=O)[nH]c3SC3C4CCC(C4)C23)ccc1O,0,0.0,
+COc1cc(CC(=O)N2CCc3ccccc32)cc(OC)c1OC,0,0.0,
+COc1cc(CC(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC,0,0.0,
+COc1cc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(CC(=O)Nc2ncc(C)s2)cc(OC)c1OC,0,0.0,
+COc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC,0,0.0,
+COc1cc(CC(=O)Nc2sccc2C(N)=O)cc(OC)c1OC,0,0.0,
+COc1cc(CC(=O)O)c(C(C)=O)cc1OC,0,0.0,
+COc1cc(CC(=O)OC2CCOC2=O)cc(OC)c1OC,0,0.0,
+COc1cc(CC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC,0,0.0,
+COc1cc(CC(=O)Oc2ccc3c(c2)OCO3)cc(OC)c1OC,0,0.0,
+COc1cc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)cc(OC)c1,0,0.0,
+COc1cc(CC2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1,0,0.0,
+COc1cc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(CCC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(CCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC,0,0.0,
+COc1cc(CCC(=O)OCc2nnc(-c3ccccc3)o2)cc(OC)c1OC,0,0.0,
+COc1cc(CCC(=O)OCn2nnc3ccccc3c2=O)cc(OC)c1OC,1,100.0,
+COc1cc(CN(C(=O)c2ccco2)c2ccc(C)cc2)ccc1O,0,0.0,
+COc1cc(CN(C)CC(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1OC(F)F,0,0.0,
+COc1cc(CN(C)CCc2ccccn2)cc(OC)c1OC,0,0.0,
+COc1cc(CN/C(C)=C(\C#N)C(N)=O)cc(OC)c1OC,0,0.0,
+COc1cc(CN2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)cc(OC)c1,0,0.0,
+COc1cc(CN2CC(C)OC(C)C2)cc(OC)c1,0,0.0,
+COc1cc(CN2CC3CC(C2)c2cccc(=O)n2C3)cc(OC)c1OC,0,0.0,
+COc1cc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc(Br)c1O,0,0.0,
+COc1cc(CN2CCC(C(=O)N3CCCC(C)C3)CC2)cc(Br)c1O,0,0.0,
+COc1cc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc(OC)c1O,0,0.0,
+COc1cc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)ccc1O,0,0.0,
+COc1cc(CN2CCC(C(=O)NC3CCCC3)CC2)cc(Br)c1O,0,0.0,
+COc1cc(CN2CCC(C(=O)NC3CCCC3)CC2)cc(OC)c1O,0,0.0,
+COc1cc(CN2CCC(C(=O)NC3CCCC3)CC2)ccc1O,0,0.0,
+COc1cc(CN2CCN(C(=O)CC(C)C)CC2)cc(OC)c1O,0,0.0,
+COc1cc(CN2CCN(C(=O)CC(C)C)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(CN2CCN(C(=O)COc3ccccc3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(CN2CCN(CCOCCO)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc(OC)c1O,0,0.0,
+COc1cc(CN2CCN(c3cc(C)ccc3C)CC2)ccc1O,0,0.0,
+COc1cc(CN2CCN(c3cccc(C)c3C)CC2)cc(Br)c1O,0,0.0,
+COc1cc(CN2CCN(c3cccc(C)c3C)CC2)cc(OC)c1O,0,0.0,
+COc1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(CN2CCN(c3ccccc3F)CC2)cc(OC)c1O,0,0.0,
+COc1cc(CN2CCSCC2)cc(OC)c1OC,0,0.0,
+COc1cc(CNC(=O)OCC(C)C)cc(OC)c1OC,0,0.0,
+COc1cc(CNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc(OC)c1,0,0.0,
+COc1cc(CNC2CCC(C)C2)cc(OC)c1,0,0.0,
+COc1cc(CNC2CCCC2)cc(OC)c1,0,0.0,
+COc1cc(CNC2CCCC2)cc(OC)c1OC,0,0.0,
+COc1cc(CNC2CCCCCC2)cc(OC)c1O,0,0.0,
+COc1cc(CNC2CCCCCC2)cc(OC)c1OC,0,0.0,
+COc1cc(CNCCC2CCOC(C)(C)C2)ccc1O,0,0.0,
+COc1cc(CNCCO)ccc1OCC(=O)Nc1ccc(Br)cc1,0,0.0,
+COc1cc(CNCc2ccc(OC)c(OC)c2OC)cc(OC)c1,0,0.0,
+COc1cc(CNc2cc(C)ccc2C)cc(OC)c1OC,0,0.0,
+COc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OC,0,0.0,
+COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)ccc1OCC(N)=O,0,0.0,
+COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCC(=O)NC(C)(C)C,0,0.0,
+COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCC(=O)NC(C)(C)C,0,0.0,
+COc1cc(CNc2ccc3c(c2)CCC3)cc(OC)c1O,0,0.0,
+COc1cc(CNc2cccc(F)c2)cc(Br)c1O,0,0.0,
+COc1cc(CNc2ccccc2SC)ccc1O,0,0.0,
+COc1cc(CNc2nc3ccccc3[nH]2)cc(OC)c1OC,0,0.0,
+COc1cc(CNc2ncn[nH]2)cc(Br)c1OC,0,0.0,
+COc1cc(CO)c(C2(CO)CCCC2)cc1OC,0,0.0,
+COc1cc(CO)cc(-c2cc(CO)cc(OC)c2OC)c1OC,0,0.0,
+COc1cc(CO)cc(Br)c1OCC(=O)N1CCCCC1,0,0.0,
+COc1cc(CO)cc(Br)c1OCC(=O)O,0,0.0,
+COc1cc(COCC(O)CN2CCOCC2)cc(OC)c1OC,0,0.0,
+COc1cc(CSc2ncn[nH]2)c(OC)cc1CSc1ncn[nH]1,0,0.0,
+COc1cc(CSc2nnnn2-c2ccc(C)cc2)cc(OC)c1OC,1,100.0,
+COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,0,0.0,
+COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cnc(C)cn1,0,0.0,
+COc1cc(Cl)c(C)cc1NC(=O)COc1cc(C)nc(C(C)C)n1,0,0.0,
+COc1cc(Cl)c(C)cc1NC(=O)CSC,0,0.0,
+COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2o1,0,0.0,
+COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1,0,0.0,
+COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1,0,0.0,
+COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1CC(C)C,1,100.0,0.0
+COc1cc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)cc1Cl,0,0.0,
+COc1cc(Cl)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl,0,0.0,
+COc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl,0,0.0,
+COc1cc(Cl)c(S(=O)(=O)NCCCN2CCOCC2)cc1Cl,0,0.0,
+COc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1Cl,0,0.0,
+COc1cc(Cl)cc(C#N)c1OCC(=O)O,0,0.0,
+COc1cc(Cl)cc(C2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)c1O,0,0.0,
+COc1cc(Cl)cc(NC(=O)CCN2CCN(C)CC2)c1,0,0.0,
+COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)N1CCN(c2ccc(O)cc2)CC1,0,0.0,
+COc1cc(Cn2c(-c3nonc3N)nc3ccccc32)ccc1C,0,0.0,
+COc1cc(Cn2c(=O)oc3ccc(C)cc32)ccc1OC(C)C,0,0.0,
+COc1cc(Cn2c(C(=O)O)cc3sccc32)cc(OC)c1OC,0,0.0,
+COc1cc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc(OC)c1,0,0.0,
+COc1cc(Cn2ccnc2)c(OC)cc1Cn1ccnc1,0,0.0,
+COc1cc(Cn2cnnn2)ccc1O,0,0.0,
+COc1cc(N(C)C)c(NC(C)=O)cc1C(=O)O,0,0.0,
+COc1cc(N)c(Cl)cc1NC(=O)c1ccccc1,0,0.0,
+COc1cc(N)cc(NC(=O)c2ccncc2)c1,0,0.0,
+COc1cc(N)ccc1Cc1ccc(N)cc1OC,0,0.0,
+COc1cc(N)ccc1NC(=O)c1cccs1,0,0.0,
+COc1cc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)ncn1,0,0.0,
+COc1cc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc(OC)c1OC,0,0.0,
+COc1cc(N2C(=O)NC3CC2(C)Oc2ccc(Br)cc23)cc(OC)c1OC,0,0.0,
+COc1cc(N2C(=O)NC3CC2(C)Oc2ccccc23)cc(OC)c1OC,0,0.0,
+COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)NCc1ccco1,0,0.0,
+COc1cc(N2CCCC2)c(OC)cc1/C=c1/sc2nc3ccccc3n2c1=O,0,0.0,
+COc1cc(N2CCOCC2)ncn1,0,0.0,
+COc1cc(N2CN=c3s/c(=C\c4ccccn4)c(=O)n3C2)cc(OC)c1OC,0,0.0,
+COc1cc(N=Cc2c(O)[nH]c3ccccc23)cc(OC)c1OC,0,0.0,
+COc1cc(N=c2ssnc2Cl)cc(OC)c1,0,0.0,
+COc1cc(N=c2ssnc2Cl)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)C(C)C)ccc1NC(=O)c1ccco1,0,0.0,
+COc1cc(NC(=O)C(C)Oc2ccccc2)c(C(=O)O)cc1OC,0,0.0,
+COc1cc(NC(=O)C(C)Oc2ccccc2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)C(F)(F)F)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)C23CC4CC(C2)CC(n2nnc(C)n2)(C4)C3)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)C2C3C=CC(C3)C2C(=O)O)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)C2CC(c3cccc(OC)c3OC)=NO2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)C2CC2)c(C(=O)O)cc1OC,0,0.0,
+COc1cc(NC(=O)C2CC=CCC2C(=O)O)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)C2CCC(CNc3c(N4CCCCC4)c(=O)c3=O)CC2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)C2CCCC2)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)CCC(=O)NCc1ccco1,0,0.0,
+COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)CN1CCCCC1,0,0.0,
+COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)c1ccco1,0,0.0,
+COc1cc(NC(=O)C2CCCCN2)ccc1OCC(C)C,0,0.0,
+COc1cc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)C2CCCN2C(=O)C2CCC(C)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)C2CCCO2)c(C(=O)O)cc1OC,0,0.0,
+COc1cc(NC(=O)C2CCCO2)c(OC)cc1NC(=O)c1ccccc1,0,0.0,
+COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1-n1cnnn1,0,0.0,
+COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)C2COc3ccccc3O2)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1ccco1,0,0.0,
+COc1cc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)nc(OC)n1,0,0.0,
+COc1cc(NC(=O)CCCN2C(=O)CCC2=O)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)CCN2CCN(c3ccccc3F)CC2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CCc2ccccc2)c(C(=O)O)cc1OC,0,0.0,
+COc1cc(NC(=O)CCc2ccccc2)nc(OC)n1,0,0.0,
+COc1cc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CN2C(=O)NC(C)(CC(C)C)C2=O)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CN2C(=O)NC(C)(CCC(C)C)C2=O)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C(=O)O)cc1OC,0,0.0,
+COc1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)CN2CC(c3ccccc3)CC2=O)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)COc2ccc(F)cc2)nc(OC)n1,0,0.0,
+COc1cc(NC(=O)COc2cccc(OC)c2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)CS(=O)(=O)c2ccccc2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CSc2nc(C)cs2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C)ccc1NC(=O)c1ccco1,0,0.0,
+COc1cc(NC(=O)CSc2nccc(C)n2)c(C(=O)O)cc1OC,1,100.0,
+COc1cc(NC(=O)CSc2nnc(C)s2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CSc2nnc(C)s2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)CSc2nnnn2-c2ccccc2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)c1ccco1,0,0.0,
+COc1cc(NC(=O)Cc2ccccc2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)Cc2ccccc2)ccc1NC(=O)c1ccco1,0,0.0,
+COc1cc(NC(=O)Cc2ccccc2OC)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)Cc2cccs2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)Cc2cccs2)ccc1-n1cnnn1,0,0.0,
+COc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)Cn2nnc(-c3ccncc3)n2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)N2CCOCC2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1C,0,0.0,
+COc1cc(NC(=O)NCc2ccncc2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)N[C@H](C(=O)O)C(C)C)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)Nc2cccc(Cl)c2)c(OC)cc1NC(=O)CN1CCCCC1,0,0.0,
+COc1cc(NC(=O)Nc2ccccc2)c(C(=O)O)cc1OC,0,0.0,
+COc1cc(NC(=O)Nc2ccccc2)c(OC)cc1NC(=O)CN1CCCCC1,0,0.0,
+COc1cc(NC(=O)Nc2ccccc2OC)c(OC)cc1NC(=O)CN1CCCCC1,0,0.0,
+COc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c2ncccc2c1,0,0.0,
+COc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(OC)cc1Cl,1,100.0,0.0
+COc1cc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)c2cc(-c3ccco3)on2)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)c2cc(-c3cccs3)on2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)c2cc(C(C)C)on2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)c2cc(C)on2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)c2cc(CC(C)C)on2)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)cc1NC(=O)CN1CCCCC1,0,0.0,
+COc1cc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)c2cc3c(C)nc4ccccc4c3o2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)c2cc3ccccc3o2)c(OC)cc1Br,0,0.0,
+COc1cc(NC(=O)c2cc3ccccc3o2)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)c2cc3nc(C)cc(C)n3n2)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)c2cc3sccc3n2C)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1NC(=O)C(C)C,0,0.0,
+COc1cc(NC(=O)c2ccc(Br)o2)c(C(=O)O)cc1OC,0,0.0,
+COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)C(C)C,0,0.0,
+COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1ccccc1Cl,0,0.0,
+COc1cc(NC(=O)c2ccc(C)cc2)c(OC)cc1NC(=O)CN1CCOCC1,0,0.0,
+COc1cc(NC(=O)c2ccc(COCC(F)(F)F)o2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)CN1CCOCC1,0,0.0,
+COc1cc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)c2ccc3c(c2)OCO3)c2ncccc2c1,0,0.0,
+COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)C(C)C,0,0.0,
+COc1cc(NC(=O)c2cccc(Cl)c2)c(OC)cc1NC(=O)CN1CCOCC1,0,0.0,
+COc1cc(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCN(c2ccccn2)CC1,0,0.0,
+COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCOCC1,0,0.0,
+COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(C)=O,0,0.0,
+COc1cc(NC(=O)c2ccccc2)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)c2ccccc2Cl)c(OC)cc1NC(=O)CN1CCOCC1,0,0.0,
+COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1cc(C)cc(C)c1,0,0.0,
+COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1cc(C)ccc1C,0,0.0,
+COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1cccc(C)c1C,0,0.0,
+COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1ccccc1C,0,0.0,
+COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1,0,0.0,
+COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CSc1nnc(-c2cccs2)n1C,0,0.0,
+COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1ccc(Cl)cc1,0,0.0,
+COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1,0,0.0,
+COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1ccccc1Cl,0,0.0,
+COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+COc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1ccccc1Cl,0,0.0,
+COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)NCc2ccco2)cc1OC,0,0.0,
+COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCn1nnc2ccccc21,0,0.0,
+COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)c1ccco1,0,0.0,
+COc1cc(NC(=O)c2cccs2)cc(OC)c1,1,100.0,0.0
+COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccco1,1,100.0,0.0
+COc1cc(NC(=O)c2cnn3c(C)cc(C)nc23)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)c2csc3c2CCCC3)ncn1,0,0.0,
+COc1cc(NC(=O)c2nccnc2C(=O)O)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)c2ncn[nH]2)cc(OC)c1OC,0,0.0,
+COc1cc(NC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)cc(OC)c1,0,0.0,
+COc1cc(NC(=O)c2noc3c2CCC3)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)c2noc3c2CCCC3)c(OC)cc1Cl,0,0.0,
+COc1cc(NC(=O)c2onc(C)c2Cl)c(OC)cc1Cl,0,0.0,
+COc1cc(NC2=CC(=O)CC(C)(C)C2)cc(OC)c1,0,0.0,
+COc1cc(NC2=CC(=O)CC(C)(C)C2)cc(OC)c1OC,0,0.0,
+COc1cc(NC2c3ccccc3C(=O)N2c2ccc(C)cn2)cc(OC)c1OC,0,0.0,
+COc1cc(NC2c3ncccc3C(=O)N2Cc2ccco2)cc(OC)c1,0,0.0,
+COc1cc(NCCCC(C)N)c2ncccc2c1,0,0.0,
+COc1cc(NS(=O)(=O)N2CCCC2)cc(OC)c1OC,0,0.0,
+COc1cc(NS(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(Br)cc2)c(OC)cc1NC(=O)c1ccco1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(Br)s2)cc(OC)c1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1-n1cnnn1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1OC,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)c1ccco1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)cc1OC,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1NC(=O)C1CC1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1NC(C)=O,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)ncn1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)nc(OC)n1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3)cc2)nc(OC)n1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)nc(OC)n1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)nc(OC)n1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(NC(=O)CSC3=NCCS3)cc2)nc(OC)n1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)nc(OC)n1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)nc(OC)n1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)nc(OC)n1,1,100.0,0.0
+COc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(OC)n1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(OC)c(C)c2C)c(OC)cc1Cl,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc(OC)c1,0,0.0,
+COc1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc(OC)c1OC,0,0.0,
+COc1cc(NS(=O)(=O)c2cccc3nsnc23)c(C(=O)O)cc1OC,0,0.0,
+COc1cc(NS(=O)(=O)c2ccccc2)ccc1-n1nc(C)cc1C,0,0.0,
+COc1cc(NS(C)(=O)=O)c(OC)cc1NC(=O)c1cccc(F)c1,0,0.0,
+COc1cc(NS(C)(=O)=O)c(OC)cc1NC(=O)c1ccccc1,0,0.0,
+COc1cc(Nc2cc(C)nc3nc(C)nn23)cc(OC)c1OC,0,0.0,
+COc1cc(Nc2cc(C)nc3ncnn23)cc(OC)c1,0,0.0,
+COc1cc(Nc2cc(C)nc3ncnn23)cc(OC)c1OC,0,0.0,
+COc1cc(Nc2ccc(-c3ccccc3C)nn2)cc(OC)c1OC,0,0.0,
+COc1cc(Nc2nc(SCC#N)nc3ccccc23)cc(OC)c1OC,0,0.0,
+COc1cc(O)c(NC(C)=O)c2nonc12,0,0.0,
+COc1cc(O)c2c(c1)OC(C)(C)CC2=O,0,0.0,
+COc1cc(OC)c(-c2nc3cnccc3n2C)cc1OC,0,0.0,
+COc1cc(OC)c(-c2nn3c(-c4cccnc4)nnc3s2)cc1OC,0,0.0,
+COc1cc(OC)c(-c2nn3c(-c4ccco4)nnc3s2)cc1OC,0,0.0,
+COc1cc(OC)c(-c2nn3c(-c4ccncc4)nnc3s2)cc1OC,0,0.0,
+COc1cc(OC)c(-c2nn3c(C4CCCCC4)nnc3s2)cc1OC,0,0.0,
+COc1cc(OC)c(-c2nnc(-c3ccc(OC)c(OC)c3OC)o2)cc1OC,0,0.0,
+COc1cc(OC)c(C#N)c([S+]([O-])Cc2ccccc2)c1,0,0.0,
+COc1cc(OC)c(C(=O)COc2ncnc3ccccc23)c(OC)c1,0,0.0,
+COc1cc(OC)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OC,1,100.0,0.0
+COc1cc(OC)c(C(=O)NC2CCCCCC2)cc1OC,0,0.0,
+COc1cc(OC)c(C(=O)Nc2ccc(N(C)C)cc2)cc1OC,0,0.0,
+COc1cc(OC)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC,0,0.0,
+COc1cc(OC)c(C(=O)Nc2ncn[nH]2)cc1OC,0,0.0,
+COc1cc(OC)c(C(=O)Oc2ccc3c(c2)OCO3)cc1OC,0,0.0,
+COc1cc(OC)c(C2=NOC(C(=O)NCc3ccc4c(c3)OCO4)C2)cc1Cl,0,0.0,
+COc1cc(OC)c(C2=NOC(C(=O)Nc3c(C)nn(CC(=O)N4CCCC4)c3C)C2)cc1Cl,0,0.0,
+COc1cc(OC)c(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1Cl,0,0.0,
+COc1cc(OC)c(C2=NOC(C(=O)O)C2)cc1Cl,0,0.0,
+COc1cc(OC)c(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC,0,0.0,
+COc1cc(OC)c(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)C3)cc1OC,0,0.0,
+COc1cc(OC)c(C2C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)cc1OC,0,0.0,
+COc1cc(OC)c(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC,0,0.0,
+COc1cc(OC)c(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1OC,0,0.0,
+COc1cc(OC)c(C2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1OC,0,0.0,
+COc1cc(OC)c(C2C(C(=O)O)c3ccccc3C(=O)N2C)cc1OC,0,0.0,
+COc1cc(OC)c(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)cc1OC,0,0.0,
+COc1cc(OC)c(C2CC(=O)N3CN(C)CSC3=C2C#N)cc1OC,1,100.0,
+COc1cc(OC)c(C2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1OC,0,0.0,
+COc1cc(OC)c(C2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1OC,0,0.0,
+COc1cc(OC)c(C2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1OC,0,0.0,
+COc1cc(OC)c(C2N(C)c3ccccc3N2C)cc1OC,0,0.0,
+COc1cc(OC)c(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1OC,0,0.0,
+COc1cc(OC)c(C2N(c3ccc(Cl)c(Cl)c3)C(=O)C3CCCN32)cc1OC,0,0.0,
+COc1cc(OC)c(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)cc1OC,0,0.0,
+COc1cc(OC)c(C2N(c3ccccn3)C(=O)C3CCCN32)cc1OC,0,0.0,
+COc1cc(OC)c(C2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)cc1OC,0,0.0,
+COc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC,0,0.0,
+COc1cc(OC)c(Cl)cc1N,0,0.0,
+COc1cc(OC)c(N(C)C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)cc1Cl,0,0.0,
+COc1cc(OC)c(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)cc1Cl,0,0.0,
+COc1cc(OC)c(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1Cl,1,100.0,0.0
+COc1cc(OC)c(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl,0,0.0,
+COc1cc(OC)c(NC(=O)CCc2nc(-c3cccs3)no2)cc1Cl,0,0.0,
+COc1cc(OC)c(NC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1Cl,0,0.0,
+COc1cc(OC)c(NC(=O)Cn2cccc2)cc1Cl,0,0.0,
+COc1cc(OC)c(NC(=O)Nc2ccc(OC)c(OC)c2)cc1Cl,0,0.0,
+COc1cc(OC)c(NC(=O)c2c(-c3ccccc3)noc2C)cc1Cl,0,0.0,
+COc1cc(OC)c(NC(=O)c2ccc(Br)o2)cc1Cl,0,0.0,
+COc1cc(OC)c(NC(=O)c2ccco2)cc1Cl,0,0.0,
+COc1cc(OC)c(NC(=O)c2ccoc2C)cc1Cl,0,0.0,
+COc1cc(OC)c(NC2=NCCCCC2)cc1Cl,0,0.0,
+COc1cc(OC)c(NC2c3ccccc3C(=O)N2c2cc(C)ccn2)cc1Cl,0,0.0,
+COc1cc(OC)c(NS(=O)(=O)c2coc(C(N)=O)c2)cc1Cl,0,0.0,
+COc1cc(OC)c(Nc2cc(C)nc3nc(C)nn23)cc1Cl,0,0.0,
+COc1cc(OC)c(OC)cc1/C=N/n1c(C)nnc1C,0,0.0,
+COc1cc(OC)c(OC)cc1CN(C)CCc1ccccn1,0,0.0,
+COc1cc(OC)c(OC)cc1CN1CCCC(C(=O)N2CCCCC2)C1,0,0.0,
+COc1cc(OC)c(OC)cc1CN1CCN(c2ccccc2OC)CC1,0,0.0,
+COc1cc(OC)c(OC)cc1CNC1CCCCCC1,0,0.0,
+COc1cc(OC)c(OC)cc1CNCCNC(=O)c1nonc1N,0,0.0,
+COc1cc(OC)c(OC)cc1CNCCc1ccc(OC)c(OC)c1,0,0.0,
+COc1cc(OC)c(OC)cc1CNc1cc(C)ccc1OC,0,0.0,
+COc1cc(OC)c(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+COc1cc(OC)c(S(=O)(=O)NCc2ccco2)cc1S(=O)(=O)NCc1ccco1,0,0.0,
+COc1cc(OC)c2c(C)c(Cl)c(=O)oc2c1,0,0.0,
+COc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)C(O)C2=O,0,0.0,
+COc1cc(OC)cc(-c2cc(NC(C)=O)n[nH]2)c1,0,0.0,
+COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NC(C)CCc4ccco4)c(C)n3n2)c1,0,0.0,
+COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)O)c(C)n3n2)c1,0,0.0,
+COc1cc(OC)cc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCCC4)c1,0,0.0,
+COc1cc(OC)cc(-c2cc3nc4c(c(N5CCN(c6ncccn6)CC5)n3n2)CCCC4)c1,0,0.0,
+COc1cc(OC)cc(-c2nc(-c3cc4cc(C)ccc4nc3OC)no2)c1,0,0.0,
+COc1cc(OC)cc(-c2nc(-c3ccc(Br)cc3)no2)c1,0,0.0,
+COc1cc(OC)cc(-c2nc(-c3ccccc3)no2)c1,0,0.0,
+COc1cc(OC)cc(-c2nc(-c3ccccc3OC)no2)c1,0,0.0,
+COc1cc(OC)cc(-c2nc(N)n[nH]2)c1,0,0.0,
+COc1cc(OC)cc(-c2nc3cc(C)ccc3o2)c1,0,0.0,
+COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)NCc4ccco4)c(C)n3n2)c1,0,0.0,
+COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)O)c(C)n3n2)c1,0,0.0,
+COc1cc(OC)cc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1,0,0.0,
+COc1cc(OC)cc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)o2)c1,0,0.0,
+COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCCC3)o2)c1,0,0.0,
+COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCCCC3)o2)c1,0,0.0,
+COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)c1,0,0.0,
+COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCOCC3)o2)c1,0,0.0,
+COc1cc(OC)cc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)c1,0,0.0,
+COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cc(C)on3)o2)c1,0,0.0,
+COc1cc(OC)cc(-c2nnc(SCc3c(F)cccc3Cl)o2)c1,0,0.0,
+COc1cc(OC)cc(-c2nnc(SCc3cccnc3)o2)c1,0,0.0,
+COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(CC4CCCO4)cnc32)c1,0,0.0,
+COc1cc(OC)cc(-n2nc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3c2=O)c1,0,0.0,
+COc1cc(OC)cc(-n2nc(C(=O)NCCCN3CCOCC3)c3ccccc3c2=O)c1,0,0.0,
+COc1cc(OC)cc(-n2nnnc2SCC(=O)N2CCCC2)c1,0,0.0,
+COc1cc(OC)cc(-n2nnnc2SCC(=O)N2CCCc3ccccc32)c1,0,0.0,
+COc1cc(OC)cc(-n2nnnc2SCC(=O)NCc2ccc3c(c2)OCO3)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCC(N3CCCCCC3)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCCc3ccccc32)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCN(c3ccccc3F)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCN(c3ncccn3)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2CCN=C2SCc2cccnc2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)N2c3ccc(F)cc3CCC2C)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NC(C(=O)NCCN(C)C)C23CC4CC(CC(C4)C2)C3)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NC2CC3CCC(C2)N3Cc2ccco2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NC2CCN(Cc3nnnn3Cc3cccs3)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NCC(=O)N2CCC(C)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NCC(=O)N2CCCCC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NCC(=O)OC2CCOC2=O)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NCCN2CCOCC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NCCNC(=O)c2ccccc2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NCCSCc2ccco2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NCCn2ccc3ccccc32)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NCc2cccnc2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2OC)c1,0,0.0,
+COc1cc(OC)cc(C(=O)NCc2nc(-c3ccccc3)no2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)COC3=O)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nc2cccc(C(C)=O)c2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nc2cccc(N3CCCC3)c2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nc2cccc(NC(C)=O)c2)c1,1,100.0,0.0
+COc1cc(OC)cc(C(=O)Nc2ccccc2N2CCOCC2)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nc2ccccc2NC(C)=O)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nc2ncc3c(n2)CC(C)CC3=O)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nn2c(C)nc3ccccc3c2=O)c1,0,0.0,
+COc1cc(OC)cc(C(=O)Nn2cc(C(=O)N3CCN(C)CC3)c3ccccc3c2=O)c1,0,0.0,
+COc1cc(OC)cc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1,0,0.0,
+COc1cc(OC)cc(C(=O)OCn2nnc3ccccc3c2=O)c1,0,0.0,
+COc1cc(OC)cc(C(C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2ccno2)c1,0,0.0,
+COc1cc(OC)cc(C(C)=O)c1,0,0.0,
+COc1cc(OC)cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)c1,0,0.0,
+COc1cc(OC)cc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1,0,0.0,
+COc1cc(OC)cc(OCC(O)Cn2ccnc2)c1,0,0.0,
+COc1cc(OC)cc(OCC(O)Cn2ccnc2C)c1,0,0.0,
+COc1cc(OC)cc(OCC(O)Cn2cnc(-c3ccccc3)c2)c1,0,0.0,
+COc1cc(OC)cc(OCC(O)Cn2cnc3cc(C)c(C)cc32)c1,0,0.0,
+COc1cc(OC)nc(NC(=O)C(C)C)n1,0,0.0,
+COc1cc(OC)nc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)n1,0,0.0,
+COc1cc(OC)nc(NC(=O)COC(=O)C2CCCCC2)n1,0,0.0,
+COc1cc(OC)nc(NC(=O)CS(=O)(=O)c2ccccc2)n1,0,0.0,
+COc1cc(OC)nc(NC(=O)CSc2nc3ccccc3[nH]2)n1,0,0.0,
+COc1cc(OC)nc(NC(=O)CSc2nc3ccccc3o2)n1,0,0.0,
+COc1cc(OC)nc(NC(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)n1,0,0.0,
+COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1,0,0.0,
+COc1cc(OC)nc(NC2OC(=O)c3ccccc32)n1,0,0.0,
+COc1cc(OC)nc(Nc2nc(C)c(C(C)=O)s2)n1,0,0.0,
+COc1cc(S(=O)(=O)N(C)C)ccc1F,0,0.0,
+COc1cc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)ccc1-n1cnnn1,0,0.0,
+COc1cc(S(=O)(=O)N(Cc2ccco2)C2CCCC2)ccc1-n1cnnn1,0,0.0,
+COc1cc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)ccc1-n1cnnn1,0,0.0,
+COc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)cc1C,0,0.0,
+COc1cc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)ccc1-n1cnnn1,0,0.0,
+COc1cc(S(=O)(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)ccc1-n1cnnn1,0,0.0,
+COc1cc(S(=O)(=O)N2CCCC3(CCCCC3)C2)ccc1-n1cnnn1,0,0.0,
+COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)c1ccc(F)cc1,0,0.0,
+COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=O,0,0.0,
+COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1Br,0,0.0,
+COc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl,0,0.0,
+COc1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)c(OC)cc1NC(C)=O,0,0.0,
+COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1Br,0,0.0,
+COc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl,0,0.0,
+COc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)cc1C,0,0.0,
+COc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br,0,0.0,
+COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl,0,0.0,
+COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl,0,0.0,
+COc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c(OC)cc1Cl,0,0.0,
+COc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1Cl,0,0.0,
+COc1cc(S(=O)(=O)N2CCN3CCCC3C2)ccc1-n1cnnn1,0,0.0,
+COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1F,0,0.0,
+COc1cc(S(=O)(=O)N2CCOCC2)c(OC)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)c2nccn2C)c1OC,0,0.0,
+COc1cc(S(=O)(=O)N2CCOCC2)ccc1F,0,0.0,
+COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)c1ccccn1,0,0.0,
+COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CSc1nnc(N)s1,0,0.0,
+COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)c1cc2c(s1)CCC2,0,0.0,
+COc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl,0,0.0,
+COc1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl,0,0.0,
+COc1cc(S(=O)(=O)NC2CCCCC2C)ccc1Cl,0,0.0,
+COc1cc(S(=O)(=O)NCC2COCCO2)ccc1-n1cnnn1,0,0.0,
+COc1cc(S(=O)(=O)NCCN2CCOCC2)c(OC)cc1Cl,0,0.0,
+COc1cc(S(=O)(=O)NCCc2ccc3c(c2)OCO3)ccc1-n1cnnn1,0,0.0,
+COc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1Cl,0,0.0,
+COc1cc(S(=O)(=O)NCc2ccccc2)ccc1F,0,0.0,
+COc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)ccc1-n1cnnn1,0,0.0,
+COc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1F,0,0.0,
+COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1Cl,0,0.0,
+COc1cc(S(=O)(=O)Nc2cccnc2)ccc1F,0,0.0,
+COc1cc(S(=O)(=O)Nc2ncccc2C)c(OC)cc1Cl,0,0.0,
+COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F,0,0.0,
+COc1cc(S(=O)(=O)n2nnc3ccccc32)c(OC)cc1Cl,0,0.0,
+COc1cc(SC)ccc1C(=O)NCC1CCCO1,0,0.0,
+COc1cc(SC)ccc1C(=O)NCCCOC(C)C,0,0.0,
+COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O,0,0.0,
+COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+COc1cc(SC)ccc1C(=O)Nc1ccccc1C#N,0,0.0,
+COc1cc(SC)ccc1C(=O)Nc1ccon1,1,100.0,
+COc1cc(SC)ccc1C(=O)OC1CCOC1=O,0,0.0,
+COc1cc(Sc2ccc(C)cc2)c(OC)cc1N,0,0.0,
+COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc2c1OCO2,0,0.0,
+COc1cc([C@@H]2[C@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C,0,0.0,
+COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,0,0.0,
+COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2)ccc1O,0,0.0,
+COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)ccc1O,0,0.0,
+COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)ccc1O,0,0.0,
+COc1cc2[nH]c(=O)c(C(=O)NCCCN3CCCCC3)c(O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(-c3cccc(Cl)c3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(-c3ccccc3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(CCC(=O)N3CCc4ccccc4C3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(CCC(=O)NC3CCCC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(CCC(=O)NCc3cccnc3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(CCCC(=O)N3CC=C(c4ccccc4)CC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(CCCC(=O)NCCc3ccccc3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(CCCCCC(=O)N3CCN(c4ccccc4)CC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(CCCCCC(=O)N3CCN(c4ccccn4)CC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(CCCCCC(=O)NCCCN3CCC(C)CC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(CCCCCC(=O)NCCCN3CCCC3=O)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(CCCCCC(=O)NCCCN3CCOCC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NCC4CCCO4)cc3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=O)n3nc(-c4ccccc4)nc3c2cc1OC,0,0.0,
+COc1cc2[nH]c(=S)n(C3CCCC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=S)n(CC3CCCO3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=S)n(CCCN3CCOCC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=S)n(CCN3CCCCC3C)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=S)n(CCN3CCOCC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=S)n(Cc3ccc(C)o3)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=S)n(NC(=O)CC(C)C)c(=O)c2cc1OC,0,0.0,
+COc1cc2[nH]c(=S)nc(NCC3CCCO3)c2cc1OC,0,0.0,
+COc1cc2[nH]c3c(=O)n(CCN(C(C)C)C(C)C)cnc3c2cc1OC,1,100.0,0.0
+COc1cc2[nH]c3c(=O)n(CCN4CCCCC4)cnc3c2cc1OC,0,0.0,
+COc1cc2[nH]c3c(N4CCC(C(N)=O)CC4)ncnc3c2cc1OC,0,0.0,
+COc1cc2[nH]c3c(N4CCN(c5ccc(Cl)cc5)CC4)ncnc3c2cc1OC,0,0.0,
+COc1cc2[nH]c3c(N4CCN(c5ccccn5)CC4)ncnc3c2cc1OC,0,0.0,
+COc1cc2c(=O)n(-c3ccc(C)cc3)c(=O)n(CC(=O)c3ccc4c(c3)OCO4)c2cc1OC,0,0.0,
+COc1cc2c(=O)n(CC3CCCO3)c(=O)n(CC(=O)Nc3ccc(F)cc3F)c2cc1OC,0,0.0,
+COc1cc2c(=O)n(CC3CCCO3)c(=O)n(CC(=O)Nc3cccc(Cl)c3)c2cc1OC,0,0.0,
+COc1cc2c(=O)n(CCCN3CCOCC3)c(=S)[nH]c2c(OC)c1OC,0,0.0,
+COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)C(C)(C)C)c2cc1OC,1,100.0,0.0
+COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)NCC3CCCO3)c2cc1OC,0,0.0,
+COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)NCc3ccco3)c2cc1OC,0,0.0,
+COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)c3ccc(Br)cc3)c2cc1OC,0,0.0,
+COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)c3cccc(Br)c3)c2cc1OC,0,0.0,
+COc1cc2c(=O)nc3n(c2cc1OC)C(c1ccccc1)N=C(N)N3,0,0.0,
+COc1cc2c(C#N)c(N3CCCCC3)nc(N)c2c(N)n1,0,0.0,
+COc1cc2c(C#N)c(N3CCN(c4ccccc4OC)CC3)nc(N)c2c(N)n1,0,0.0,
+COc1cc2c(C#N)c(N3CCOCC3)nc(N)c2c(N)n1,0,0.0,
+COc1cc2c(C#N)c(N3CCc4ccccc4C3)nc(N)c2c(N)n1,0,0.0,
+COc1cc2c(C(=O)N3CCN(C)CC3)c(C)n(C)c2cc1Br,0,0.0,
+COc1cc2c(C(=O)N3CCN(C)CC3)c(C)oc2cc1Br,0,0.0,
+COc1cc2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cn(C)c(=O)c2cc1OC,0,0.0,
+COc1cc2c(C(=O)N3CCN(c4ccccc4)CC3)c(C)oc2cc1Br,0,0.0,
+COc1cc2c(C(=O)NC3CCCCCC3)cn(C)c(=O)c2cc1OC,0,0.0,
+COc1cc2c(C(=O)NCCCN3CC(C)CC(C)C3)cn(CC(C)C)c(=O)c2cc1OC,1,100.0,1.0
+COc1cc2c(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)cn(C)c(=O)c2cc1OC,0,0.0,
+COc1cc2c(C(=O)NCc3ccc(C)o3)cn(CC(C)C)c(=O)c2cc1OC,0,0.0,
+COc1cc2c(C(=O)NCc3ccc4c(c3)OCO4)cn(C)c(=O)c2cc1OC,0,0.0,
+COc1cc2c(C(=O)NCc3ccccn3)cn(C)c(=O)c2cc1OC,0,0.0,
+COc1cc2c(C(=O)NCc3ccccn3)cn(CC(C)C)c(=O)c2cc1OC,0,0.0,
+COc1cc2c(C(=O)Nc3ccc4c(c3)OCO4)cn(CC(C)C)c(=O)c2cc1OC,0,0.0,
+COc1cc2c(C)nc(C)c(C#N)c2cc1OC,0,0.0,
+COc1cc2c(C)nc3onc(-c4ccccc4)c3c2cc1OC,0,0.0,
+COc1cc2c(N3CCOCC3)cc(O)c(CC(=O)Nc3ccccc3)c2cc1OC,0,0.0,
+COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3,0,0.0,
+COc1cc2c(OC)cccc2cc1C(=O)O,0,0.0,
+COc1cc2c(c(O)c1OC)C(=O)C(OC)CCC2,0,0.0,
+COc1cc2c(c(OC)c1)C(c1cccc(OC)c1OC)CC(=O)N2,0,0.0,
+COc1cc2c(c(OC)c1)C(c1ccncc1)CC(=O)N2,0,0.0,
+COc1cc2c(cc1NC(=O)C1CCCO1)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)CC1SC(N3CCCC3)=NC1=O)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)CCCN1C(=O)CCC1=O)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)CN(C)Cc1nc3ccccc3c(=O)[nH]1)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)CN1C(=O)NC3(CCc4ccccc43)C1=O)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)CN1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)COC(=O)C1CC(=O)N(Cc3ccco3)C1)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)COC(=O)Cn1cnc3ccccc31)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)CSCC(=O)O)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)CSc1nnc(Cc3cccs3)n1C)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)CSc1nnnn1-c1ccccc1)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)c1ccc3c(c1)OCO3)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(=O)c1cccnc1)CCCC2,0,0.0,
+COc1cc2c(cc1NC(=O)c1ccco1)CCCC2,0,0.0,
+COc1cc2c(cc1NC(=O)c1cncc(Br)c1)oc1ccccc12,0,0.0,
+COc1cc2c(cc1NC(C)=O)CCCC2,0,0.0,
+COc1cc2c(cc1NCc1ccccn1)oc1ccccc12,0,0.0,
+COc1cc2c(cc1O)C(SC)=NC(C)(C)C2,0,0.0,
+COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,0,0.0,
+COc1cc2c(cc1OC)-c1cc(N3CCCCCC3)nc(=O)n1CC2,0,0.0,
+COc1cc2c(cc1OC)-c1cc(N3CCCc4ccccc43)nc(=O)n1CC2,0,0.0,
+COc1cc2c(cc1OC)-c1cc(NC3CC3)nc(=O)n1CC2,0,0.0,
+COc1cc2c(cc1OC)-c1cc(NC3CCCC3)nc(=O)n1CC2,0,0.0,
+COc1cc2c(cc1OC)-c1cc(NC3CCCCC3)nc(=O)n1CC2,0,0.0,
+COc1cc2c(cc1OC)-c1cc(NC3CCCCCC3)nc(=O)n1CC2,0,0.0,
+COc1cc2c(cc1OC)-c1cc(NC3CCCCCCC3)nc(=O)n1CC2,0,0.0,
+COc1cc2c(cc1OC)-c1cc(NCc3ccccn3)nc(=O)n1CC2,0,0.0,
+COc1cc2c(cc1OC)-c1cc(Nc3ccc4c(c3)OCCO4)nc(=O)n1CC2,0,0.0,
+COc1cc2c(cc1OC)-c1cc(OCCN3CCOCC3)nc(=O)n1CC2,0,0.0,
+COc1cc2c(cc1OC)-c1cc(OCc3cccnc3)nc(=O)n1CC2,0,0.0,
+COc1cc2c(cc1OC)-c1nnc(-c3cccs3)n1C(C)(C)C2,0,0.0,
+COc1cc2c(cc1OC)-c1nnc(C)n1C(C)(C)C2,0,0.0,
+COc1cc2c(cc1OC)-c1nnc(C)n1C1(CCCC1)C2,0,0.0,
+COc1cc2c(cc1OC)-c1nncn1C(C)(C)C2,0,0.0,
+COc1cc2c(cc1OC)-c1nnnn1C(C)(C)C2,0,0.0,
+COc1cc2c(cc1OC)/C(=C/C#N)NC(C)(C)C2,0,0.0,
+COc1cc2c(cc1OC)/C(=C/C(=O)N1CCOCC1)NC(C)(C)C2,0,0.0,
+COc1cc2c(cc1OC)C(/C(C#N)=N\O)=NC(C)(C)C2,0,0.0,
+COc1cc2c(cc1OC)C(=NCCC(=O)O)NC(C)(C)C2,0,0.0,
+COc1cc2c(cc1OC)C(C(=O)N1CCC3(CC1)OCCO3)C(c1ccccc1F)N(C)C2=O,0,0.0,
+COc1cc2c(cc1OC)C(C(=O)N1CCCC1)C(c1ccccc1F)N(C)C2=O,0,0.0,
+COc1cc2c(cc1OC)C(C(=O)N1CCCCC1)C(c1ccccc1F)N(C)C2=O,0,0.0,
+COc1cc2c(cc1OC)C(C(=O)N1CCN(c3ccccn3)CC1)C(c1cccs1)N(C)C2=O,1,100.0,0.0
+COc1cc2c(cc1OC)C(C(=O)N1CCOCC1)C(c1cccs1)N(C)C2=O,0,0.0,
+COc1cc2c(cc1OC)C(C(=O)NC1CC1)C1c3ccccc3CCN1C2=O,0,0.0,
+COc1cc2c(cc1OC)C(C(=O)NCC1COc3ccccc3O1)C(c1cccnc1)N(C)C2=O,0,0.0,
+COc1cc2c(cc1OC)C(C(=O)NCCN1CCOCC1)C1c3ccccc3CCN1C2=O,0,0.0,
+COc1cc2c(cc1OC)C(C(=O)NCc1ccco1)C(c1cccs1)N(C)C2=O,0,0.0,
+COc1cc2c(cc1OC)C(C(=O)Nc1ccc3c(c1)OCCO3)C1c3ccccc3CCN1C2=O,0,0.0,
+COc1cc2c(cc1OC)C(C(=O)Nc1cccc(C)n1)C(c1cccnc1)N(C)C2=O,0,0.0,
+COc1cc2c(cc1OC)C(C(=O)Nc1ccccn1)C(c1cccnc1)N(C)C2=O,0,0.0,
+COc1cc2c(cc1OC)C(C(=O)O)C(c1cc(Br)c(O)c(OC)c1)N(C)C2=O,0,0.0,
+COc1cc2c(cc1OC)C(C)N(C(=O)C1COc3ccccc3O1)CC2,0,0.0,
+COc1cc2c(cc1OC)C(C)N(C(=O)CCN1C(=O)C3C4C=CC(C4)C3C1=O)CC2,0,0.0,
+COc1cc2c(cc1OC)C(C)N(C(=O)Cn1ncc3c1-c1ccccc1OC3)CC2,0,0.0,
+COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3ccccc3o1)CC2,0,0.0,
+COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3n(n1)C(C(F)(F)F)CC(c1ccco1)N3)CC2,0,0.0,
+COc1cc2c(cc1OC)C(COc1ccc(F)cc1)N(C(=O)c1ccco1)CC2,0,0.0,
+COc1cc2c(cc1OC)C(COc1ccc3c(C)cc(=O)oc3c1)N(C(=O)c1ccco1)CC2,0,0.0,
+COc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)NCC2,0,0.0,
+COc1cc2c(cc1OC)C(c1cc3cc(OC)c(OC)cc3[nH]c1=O)N(C(=O)C1CC1)CC2,0,0.0,
+COc1cc2c(cc1OC)C(c1ccc(C)o1)CC(=O)N2,0,0.0,
+COc1cc2c(cc1OC)C(c1ccc(N(C)C)cc1)CC(=O)N2,0,0.0,
+COc1cc2c(cc1OC)C(c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2,0,0.0,
+COc1cc2c(cc1OC)C(c1ccc3c(c1)OCO3)CC(=O)N2,0,0.0,
+COc1cc2c(cc1OC)C(c1cccc(OC)c1OC)CC(=O)N2,0,0.0,
+COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1ccco1)CC2,0,0.0,
+COc1cc2c(cc1OC)C(c1ccccc1O)N(C1CC(=O)N(c3ccccc3)C1=O)CC2,0,0.0,
+COc1cc2c(cc1OC)C(c1cccnc1)CC(=O)N2,0,0.0,
+COc1cc2c(cc1OC)C(c1ccco1)CC(=O)N2,0,0.0,
+COc1cc2c(cc1OC)C(c1cccs1)CC(=O)N2,0,0.0,
+COc1cc2c(cc1OC)C(c1cccs1)NCC2,0,0.0,
+COc1cc2c(cc1OC)C(c1ccncc1)CC(=O)N2,0,0.0,
+COc1cc2c(cc1OC)C(c1ccsc1)CC(=O)N2,0,0.0,
+COc1cc2c(cc1OC)C1(CCCC1)C(=O)OC2,0,0.0,
+COc1cc2c(cc1OC)C1(CCCC1)C(N)=C2C#N,0,0.0,
+COc1cc2c(cc1OC)C1(CCCC1)CNC2C,0,0.0,
+COc1cc2c(cc1OC)C1(NCC2)C(=O)Nc2ccccc21,0,0.0,
+COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\S(=O)(=O)c3ccccc3)N1CC2,0,0.0,
+COc1cc2c(cc1OC)C1=C(C#N)CCC(=O)N1CC2,0,0.0,
+COc1cc2c(cc1OC)C1=C(C#N)CN(C3CCCCC3)CN1CC2,0,0.0,
+COc1cc2c(cc1OC)C1=C(C#N)CN(CC(=O)O)CN1CC2,0,0.0,
+COc1cc2c(cc1OC)C1=C(C#N)COCN1CC2,0,0.0,
+COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)C(C)(C)C)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)C1(c3ccccc3)CC1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)CC1CC3CCC1C3)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)COc1ccc(C#N)cc1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)COc1ccc(C)c(C)c1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(N)n1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)CSc1nc(N)c(C#N)cc1C#N)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)CSc1nc3[nH]ncc3c(=O)n1-c1ccccc1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(C)s1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)CSc1nnc3scc(-c4ccccc4)n13)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)Cc1ccc(OC)c(S(=O)(=O)N3CCOCC3)c1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)NS(=O)(=O)c1ccc(C)cc1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1Cl)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)c1cc3ccccc3oc1=O)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)c1ccc(OC)c(S(=O)(=O)N3CCOCC3)c1)CC2,1,100.0,0.0
+COc1cc2c(cc1OC)CN(C(=O)c1ccccc1C(=O)O)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(C(=O)c1cccs1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(CC(=O)NC(=O)NCc1ccco1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(CC(=O)Nc1cccc(C)c1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(Cc1cc(=O)n3cc(C)ccc3n1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(Cc1ccc(OC)c(C)c1OC)CC2,1,100.0,1.0
+COc1cc2c(cc1OC)CN(Cc1nc3ccsc3c(=O)[nH]1)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(S(C)(=O)=O)CC2,0,0.0,
+COc1cc2c(cc1OC)CN(c1ccc(-c3ccccc3OC)nn1)CC2,0,0.0,
+COc1cc2c3c(c1)/C(=C1/SC(NC(C)=O)=NC1=O)C(=O)N3C(C)(C)C=C2C,0,0.0,
+COc1cc2c3c(c1)C1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2cc(C)oc(=O)c21,0,0.0,
+COc1cc2c3c(c1)C1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2cc(O)ccc21,0,0.0,
+COc1cc2c3c(c1OC)-c1cc(O)ccc1CC3NCC2,0,0.0,
+COc1cc2cc(C(=O)Nc3ccccc3)c(N)nc2cc1OC,0,0.0,
+COc1cc2cc(C(=O)O)n(C)c2c(OC)c1OC,0,0.0,
+COc1cc2cc(C(c3nnnn3C(C)(C)C)N3CCc4ccccc43)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(C(c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(C(c3nnnn3C3CCCC3)N(C)C3CCCCC3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(C(c3nnnn3C3CCCC3)N3CCCCC3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(C(c3nnnn3C3CCCC3)N3CCCCCC3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(C(c3nnnn3C3CCCC3)N3CCc4ccccc43)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(C(c3nnnn3C3CCCCC3)N(C)C3CCCCC3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(C(c3nnnn3Cc3ccc(F)cc3)N3CCCCCC3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(C)c(SCC(=O)N3CCOCC3)nc2cc1OC,0,0.0,
+COc1cc2cc(C)c3nnc(SCC(N)=O)n3c2cc1OC,0,0.0,
+COc1cc2cc(CN(C(=O)NC3CCCCC3)C3CCCC3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(CN(C(=O)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(CN(CCCO)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(CN(CCCO)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(CN(CCO)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(CN(Cc3cccnc3)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(CN(Cc3nnnn3C3CCCC3)C3CCCC3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(CN(Cc3nnnn3Cc3ccccc3)CC3CCCO3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)c(=O)[nH]c2cc1OC,0,0.0,
+COc1cc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2cc1OC,0,0.0,
+COc1cc2ccc(=O)oc2c(O)c1OCC=C(C)C,0,0.0,
+COc1cc2ccccc2cc1-c1nnc(COc2ccccc2)o1,0,0.0,
+COc1cc2ccccc2cc1C(=O)N1CCN(C)CC1,0,0.0,
+COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1,1,100.0,
+COc1cc2ccccc2cc1C(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1,0,0.0,
+COc1cc2ccccc2cc1C(=O)Nc1cccnc1,0,0.0,
+COc1cc2ccccc2cc1C(=O)OCC(=O)N1CCOCC1,0,0.0,
+COc1cc2nc(-c3ccc(Br)o3)oc(=O)c2cc1OC,0,0.0,
+COc1cc2nc(-c3ccccc3)nc(N3CCCC3)c2cc1OC,0,0.0,
+COc1cc2nc(-c3cccs3)oc(=O)c2cc1OC,0,0.0,
+COc1cc2nc(=S)n3[nH]c(CCn4c(C)nc5ccccc54)nc3c2cc1OC,0,0.0,
+COc1cc2nc(=S)n3[nH]c(CCn4nc(C)cc4C)nc3c2cc1OC,0,0.0,
+COc1cc2nc(C)sc2cc1SC,0,0.0,
+COc1cc2nc(C3CC3)n(NC(=O)c3ccc(Cl)cc3)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(C3CC3)n(NC(=O)c3ccc(F)cc3)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(C3CCC3)n(NC(=O)C(OC(C)=O)c3ccccc3)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(C3CCC3)n(NC(=O)C3CCC(OC)CC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(C3CCC3)n(NC(=O)C3CCCC(OC)C3)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(C3CCC3)n(NC(=O)COc3ccccc3)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(CC(C)C)n(NC(=O)c3ccccc3)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(CN(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(CN3C(=O)c4ccccc4C3=O)oc(=O)c2cc1OC,0,0.0,
+COc1cc2nc(CN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)[nH]c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(COc3ccc(C#N)cc3)n(CC#N)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(N(C)C)nc(N)c2cc1OC,0,0.0,
+COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC,0,50.0,0.0
+COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,0,0.0,
+COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,0,0.0,
+COc1cc2nc(N3CCNCC3)nc(N)c2cc1OC,1,100.0,0.0
+COc1cc2nc(NC(=O)c3ccc(Cl)cc3)[nH]c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(NC(=O)c3ccccc3)[nH]c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(NCC3CCCO3)n3nc(-c4cccnc4)nc3c2cc1OC,1,100.0,
+COc1cc2nc(NCCN3CCOCC3)n3nc(-c4ccccc4)nc3c2cc1OC,0,0.0,
+COc1cc2nc(SCC(=O)NC3CC3)n(CCC3=CCCCC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(SCC(=O)NCCc3ccccc3)n(Cc3ccco3)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(SCC(=O)NCc3ccco3)n(Cc3ccc(Cl)cc3)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(SCC(N)=O)n(CCC3=CCCCC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc(SCc3c(C)noc3C)n(CCC3=CCCCC3)c(=O)c2cc1OC,0,0.0,
+COc1cc2nc3c4ccccc4n(CC#N)c3nc2cc1OC,0,0.0,
+COc1cc2oc(=O)c(Br)c(C)c2c(OC)c1OC,0,0.0,
+COc1cc2sc(C)nc2c2sccc12,0,0.0,
+COc1cc[n+](OC(=O)N2CCCCC2)c(C)c1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0,0.0,
+COc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)NCc2ccco2)cc1OC,0,0.0,
+COc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)NCc2ccco2)cc1,1,100.0,0.0
+COc1ccc(-c2[nH]nc3c2C(c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1,0,0.0,
+COc1ccc(-c2[nH]nc3c2C(c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1,0,0.0,
+COc1ccc(-c2[nH]nc3c2C(c2ccncc2)C(C#N)=C(N)O3)cc1,0,0.0,
+COc1ccc(-c2[nH]nc3oc(=O)cc(C)c23)cc1,0,0.0,
+COc1ccc(-c2[nH]ncc2-c2ccc(Cl)cc2)c(O)c1,0,0.0,
+COc1ccc(-c2[nH]ncc2-c2ccc3c(c2)OCCO3)c(O)c1,0,0.0,
+COc1ccc(-c2[nH]ncc2-c2cnc(C)s2)c(O)c1,0,0.0,
+COc1ccc(-c2[nH]ncc2-c2cnn(-c3ccccc3)c2)c(O)c1,1,100.0,0.0
+COc1ccc(-c2c(=O)n(OCc3ccccn3)c3ccccc3[n+]2[O-])cc1OC,0,0.0,
+COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1OC,0,0.0,
+COc1ccc(-c2c(C#N)c(SCc3c(C)noc3C)nc3c2C(=O)CC(C)(C)C3)cc1,0,0.0,
+COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1,0,0.0,
+COc1ccc(-c2c(C)n([O-])c(C)c(C)[n+]2=O)cc1OC,0,0.0,
+COc1ccc(-c2c(C)n([O-])c3c([n+]2=O)CCC3)cc1OC,0,0.0,
+COc1ccc(-c2c(C)nn3c(N4CCC(C(=O)N5CCCCC5)CC4)cc(C)nc23)cc1OC,0,0.0,
+COc1ccc(-c2c(C)nn3c(N4CCC(C(=O)NCCN(C)C)CC4)cc(C)nc23)cc1OC,0,0.0,
+COc1ccc(-c2c(C)nn3c(N4CCN(Cc5ccccc5)CC4)cc(C)nc23)cc1OC,0,0.0,
+COc1ccc(-c2c(C)oc3c(CN4CCCCC4C)c(O)ccc3c2=O)cc1OC,0,0.0,
+COc1ccc(-c2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1,0,0.0,
+COc1ccc(-c2c(C)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1OC,0,0.0,
+COc1ccc(-c2c(C)oc3cc(O)cc(O)c3c2=O)cc1OC,0,0.0,
+COc1ccc(-c2c(N)nnc3c2[nH]c2ccccc23)cc1OC,0,0.0,
+COc1ccc(-c2c(NC(C)=O)n(C)c3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3nnc4ccccc4n23)cc1,0,0.0,
+COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(OC)ccc2OC)cc1,0,0.0,
+COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cccc(OC)c2)cc1,0,0.0,
+COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2)cc1,0,0.0,
+COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C2CCCCC2)cc1,0,0.0,
+COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccccn2)cc1,0,0.0,
+COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2cccnc2)cc1,0,0.0,
+COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2NC(C)=O)cc1,0,0.0,
+COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCC3)cc1,0,0.0,
+COc1ccc(-c2c3c(nc4sc(C(=O)Nc5cc(C)on5)c(N)c24)CCC3)cc1,0,0.0,
+COc1ccc(-c2cc(-c3c(O)c(OC)c4occc4c3OC)[nH]n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(-c3ccc(F)cc3)nc(N3CCN(C)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2cc(-c3ccc(OC)cc3)[nH]n2)cc1,0,0.0,
+COc1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(-c3ccccc3)nc(N3CCCC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NCc3ccco3)n2)cc1,0,0.0,
+COc1ccc(-c2cc(-n3c(C(F)(F)F)nc4ccccc43)n(CCC#N)n2)cc1,0,0.0,
+COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1,0,0.0,
+COc1ccc(-c2cc(=O)[nH]c(NCc3ccccc3)n2)cc1,0,0.0,
+COc1ccc(-c2cc(=O)c3ccccc3s2)cc1,0,0.0,
+COc1ccc(-c2cc(=O)n(-c3nc4ccccc4[nH]3)[nH]2)cc1,0,0.0,
+COc1ccc(-c2cc(=O)oc3c(C)c(O)c(CN(C)C)cc23)cc1,0,0.0,
+COc1ccc(-c2cc(=O)oc3c(C)c(OCc4nn[nH]n4)ccc23)cc1,0,0.0,
+COc1ccc(-c2cc(=O)oc3cc(OCc4nn[nH]n4)ccc23)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)no2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)N3CCCCC3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(C)ccc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)N3CCOCC3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)NC(C(=O)O)C(C)C)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)NC(C)C)no2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)NC3CCCC3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)NCC(C)C)no2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)c(OC)c1,0,0.0,
+COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)NCCc3ccccc3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)NCc3ccccc3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)no2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)no2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)no2)cc1,0,0.0,
+COc1ccc(-c2cc(C(=O)Nc3ccccc3SC)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4C)c3)no2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)O)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)O)c3ccccc3n2)c(OC)c1,0,0.0,
+COc1ccc(-c2cc(C(=O)OC3CCOC3=O)c3ccccc3n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(=O)OCC(=O)N3CCCC3)c3ccccc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCC5(CC4)OCCO5)cc3n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCC4)cc3n2)cc1,1,100.0,
+COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCC4)cc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCOCC4)c(Cl)c3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCOCC4)nc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccco4)cc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)on4)cc3n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)nc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3nc(C)cc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCCC3)n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccccc4)CC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCC(=O)N3CCOCC3)n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(S(C)(=O)=O)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CC(C)OC(C)C3)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCOCC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCc3ccco3)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc(C)on3)n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc(C)on3)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(SCC(N)=O)n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCN4CCCC4C3)n2)cc1,1,100.0,1.0
+COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCOCC3)n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NCc3ccco3)n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nc3cc(C)on3)n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCSCC4)c3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCN4CCCC4=O)c3n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(F)F)nc(-n3nc(C)cc3C)n2)cc1,0,0.0,
+COc1ccc(-c2cc(C(N)=O)nc(N3CCCCCC3)n2)cc1,0,0.0,
+COc1ccc(-c2cc(CCCC(=O)N3CCN(C(=O)c4ccco4)CC3)no2)cc1,0,0.0,
+COc1ccc(-c2cc(CCCC(=O)NCCc3cc(OC)ccc3OC)no2)cc1,0,0.0,
+COc1ccc(-c2cc(CCCC(=O)NCCc3ccc(OC)cc3OC)no2)cc1,0,0.0,
+COc1ccc(-c2cc(CCCC(=O)NCc3ccccn3)no2)cc1,0,0.0,
+COc1ccc(-c2cc(N)n(CCC#N)n2)c(OC)c1,0,0.0,
+COc1ccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c(OC)c1,0,0.0,
+COc1ccc(-c2cc(N)n(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1OC,0,0.0,
+COc1ccc(-c2cc(N3CCCC3)n3ncnc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(NCCc3ccncc3)n3ncnc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(NCc3ccccn3)n3ncnc3n2)cc1,0,0.0,
+COc1ccc(-c2cc(O)cc(O)c2)cc1,0,0.0,
+COc1ccc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)cc1OC,0,0.0,
+COc1ccc(-c2cc3c(=O)n(CC(=O)NC4CCN(Cc5ccccc5)CC4)ncn3n2)cc1,0,0.0,
+COc1ccc(-c2cc3ccc(OCc4nn[nH]n4)cc3oc2=O)cc1,0,0.0,
+COc1ccc(-c2cc3ccc(OCc4nn[nH]n4)cc3oc2=O)cc1OC,0,0.0,
+COc1ccc(-c2cc3ccccc3n2CC(O)CN2CCN(CCO)CC2)cc1,0,0.0,
+COc1ccc(-c2cc3ccccc3n2CC(O)CN2CCOCC2)cc1,0,0.0,
+COc1ccc(-c2cc3ccccc3n2CC(O)CNC(CO)(CO)CO)cc1,0,0.0,
+COc1ccc(-c2cc3ccccc3n2CC(O)Cn2nc(C)cc2C)cc1,0,0.0,
+COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc(Br)o1,0,0.0,
+COc1ccc(-c2cc3n(n2)CCc2nc4ccccc4n2-3)cc1,0,0.0,
+COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)cc1,0,0.0,
+COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CCCCC4)c(C)n3n2)c(OC)c1,0,0.0,
+COc1ccc(-c2cc3nc(C)c(CCC(=O)NCc4ccco4)c(C)n3n2)c(OC)c1,0,0.0,
+COc1ccc(-c2cc3nc(C)cc(C)n3n2)c(OC)c1,0,0.0,
+COc1ccc(-c2cc3nc(C)cc(NCCO)n3n2)cc1,0,0.0,
+COc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)O)cn3n2)cc1,0,0.0,
+COc1ccc(-c2cc3nc4c(c(=O)n3[nH]2)CCC4)cc1,0,0.0,
+COc1ccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCCC4)cc1,0,0.0,
+COc1ccc(-c2cc3nc4n(c(=O)c3s2)CCC4)cc1,0,0.0,
+COc1ccc(-c2cc3nc4n(c(=O)c3s2)CCOC4)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3nnc(-c4cc(OC)ccc4OC)o3)cc2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)cc2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3nnc(Cc4ccc(OC)c(OC)c4)o3)cc2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3nnn(CC(=O)N4CCOCC4)n3)cc2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3nnn(CC(C)=O)n3)cc2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)c(OC)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3noc(-c4cccc(OC)c4)n3)c(OC)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3noc(-c4ccccc4)n3)c(OC)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3noc(-c4ccccc4C)n3)c(OC)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3noc(-c4ccccc4F)n3)c(OC)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3noc(-c4ccccc4OC)n3)c(OC)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3noc(-c4ccco4)n3)c(OC)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3noc(-c4cccs4)n3)c(OC)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)c(OC)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3noc(C(C)C)n3)c(OC)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3noc(C)n3)c(OC)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(-c3noc(C4CCCCC4)n3)c(OC)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(=O)[nH]n2)cc1,0,0.0,
+COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4OC)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(O)c3)n2)cc1OC,0,0.0,
+COc1ccc(-c2ccc(=O)n(Cc3cc(=O)n4ccccc4n3)n2)cc1,0,0.0,
+COc1ccc(-c2ccc(C(=S)N3CCN(C(C)=O)CC3)o2)cc1,0,0.0,
+COc1ccc(-c2ccc(CCC(=O)O)n2C(C)C)cc1,0,0.0,
+COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2cccs2)cc1,0,0.0,
+COc1ccc(-c2ccc(NCCC3=CCCCC3)nn2)cc1OC,0,0.0,
+COc1ccc(-c2ccc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nn2)cc1OC,0,0.0,
+COc1ccc(-c2ccc(OC)cc2C(=O)O)cc1,0,0.0,
+COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,0,0.0,
+COc1ccc(-c2ccc(SCC(=O)N3CCCC3)nn2)cc1OC,0,0.0,
+COc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1,0,0.0,
+COc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1OC,0,0.0,
+COc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1,1,100.0,0.0
+COc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1OC,0,0.0,
+COc1ccc(-c2ccc(SCC(=O)Nc3cc(C)on3)nn2)cc1OC,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)N4CCCc5ccccc54)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccc(OC)cc5)CC4)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccccc5)CC4)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccccc5F)CC4)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)N4CCc5ccccc5C4)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)NC(C)(C)C)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)NC(C)C)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)NCCN4CCOCC4)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)NCc4ccc5c(c4)OCO5)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(NC(C)=O)ccc4OC)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(C)n4)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(NC(C)=O)c4)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccncc4)sc3n2)cc1,0,0.0,
+COc1ccc(-c2cn3c(n2)CCC3)cc1,0,0.0,
+COc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1,0,0.0,
+COc1ccc(-c2cn3cc(C)ccc3n2)cc1OC,0,0.0,
+COc1ccc(-c2cn3cc(Cl)ccc3n2)cc1OC,0,0.0,
+COc1ccc(-c2cn3ccccc3n2)cc1OC,0,0.0,
+COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1CC1,0,0.0,
+COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1CCCC1,0,0.0,
+COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CC(C)C,0,0.0,
+COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(Br)o1,0,0.0,
+COc1ccc(-c2cn3ccsc3n2)cc1,0,0.0,
+COc1ccc(-c2cn[nH]c2N)c(OC)c1,0,0.0,
+COc1ccc(-c2cnc(N)n2CC2CCCO2)cc1,0,0.0,
+COc1ccc(-c2cnc(N)nc2-c2ccc(OC)cc2O)cc1,0,0.0,
+COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2Cc2ccco2)cc1,0,0.0,
+COc1ccc(-c2cnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2Cc2ccco2)cc1,0,0.0,
+COc1ccc(-c2cnn(-c3ccccc3)c2N)cc1OC,0,0.0,
+COc1ccc(-c2cnnn2-c2ccc(N)cc2)cc1OC,0,0.0,
+COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccco3)cc2)cc1OC,0,0.0,
+COc1ccc(-c2coc3c(CN4CCCCC4)c(O)c(CN4CCCCC4)c(O)c3c2=O)cc1,0,0.0,
+COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,0,0.0,
+COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1OC,0,0.0,
+COc1ccc(-c2csc(/C(C#N)=C(\O)CSc3nccn3C)n2)cc1OC,0,0.0,
+COc1ccc(-c2csc(=Nc3ccccc3)n2CCO)cc1,0,0.0,
+COc1ccc(-c2csc(C3=C(O)CN(Cc4ccc(S(N)(=O)=O)cc4)C3=N)n2)cc1OC,0,0.0,
+COc1ccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1,0,0.0,
+COc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1,1,100.0,
+COc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1OC,0,0.0,
+COc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccco3)n2)cc1,0,0.0,
+COc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3cccs3)n2)cc1,0,0.0,
+COc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3cccs3)n2)cc1,1,100.0,
+COc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccco3)n2)cc1,0,0.0,
+COc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2csc(N3CCN(C(=O)c4ccco4)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2csc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2csc(N3CCOCC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2csc(NC(=O)C3CCCO3)n2)cc1,0,0.0,
+COc1ccc(-c2csc(NC(=O)Cn3nc(C)cc3C)n2)cc1,0,0.0,
+COc1ccc(-c2csc(NC(=O)c3cc(C)on3)c2C#N)cc1OC,0,0.0,
+COc1ccc(-c2csc(NC(C)=O)n2)cc1OC,0,0.0,
+COc1ccc(-c2csc(NCc3ccco3)n2)cc1,0,0.0,
+COc1ccc(-c2csc(NCc3ccco3)n2)cc1C,0,0.0,
+COc1ccc(-c2csc3nc(C)n(-n4cccc4)c(=O)c23)cc1,0,0.0,
+COc1ccc(-c2csc3nc(C)n(-n4cccc4)c(=O)c23)cc1OC,0,0.0,
+COc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1,0,0.0,
+COc1ccc(-c2n(C)c3c([n+]2[O-])CCC/C3=N/O)cc1,0,0.0,
+COc1ccc(-c2n[nH]c(=S)n2C2CCCCC2)cc1,0,0.0,
+COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2cc3ccccc3o2)c(O)c1,0,0.0,
+COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1OC,0,0.0,
+COc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)c(OC)c2)c(O)c1,0,0.0,
+COc1ccc(-c2nc(-c3ccc(Br)cc3)no2)c(OC)c1,0,0.0,
+COc1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1OC,0,0.0,
+COc1ccc(-c2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)no2)cc1OC,0,0.0,
+COc1ccc(-c2nc(-c3ccc(NC(=O)c4ccncc4)cc3)no2)cc1OC,0,0.0,
+COc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1OC,0,0.0,
+COc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1OC,0,0.0,
+COc1ccc(-c2nc(-c3ccccc3)no2)c(OC)c1,0,0.0,
+COc1ccc(-c2nc(-c3ccccc3OC)no2)cc1OC,0,0.0,
+COc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1O,0,0.0,
+COc1ccc(-c2nc(-c3ccncc3)no2)cc1OC,0,0.0,
+COc1ccc(-c2nc(=S)[nH][nH]2)cc1,0,0.0,
+COc1ccc(-c2nc(=S)c3c(n2CCN2CCOCC2)CC(C)(C)OC3)cc1,0,0.0,
+COc1ccc(-c2nc(C#N)c(N3CC(C)OC(C)C3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C#N)c(NC(C)C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C#N)c(NC(C)c3ccccc3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C#N)c(NCC3CCCO3)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C#N)c(NCC3CCCO3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C#N)c(NCCCN(C)C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C#N)c(NCCN(C)C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C#N)c(NCc3ccc(C)cc3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C#N)c(NCc3ccc(F)cc3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C#N)c(NCc3ccccc3Cl)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C#N)c(NCc3ccccc3Cl)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C)c4)c3n2)c(OC)c1,0,0.0,
+COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(Cl)c4)c3n2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)c(OC)c1,0,0.0,
+COc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1OC,0,0.0,
+COc1ccc(-c2nc(C)sc2CC(=O)O)cc1,0,0.0,
+COc1ccc(-c2nc(CCNC(=O)c3ccco3)cs2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CN3CCC(C(=O)N4CCc5ccccc54)CC3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CN3CCC(C(=O)NC(C)C)CC3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CN3CCC(C(=O)NC4CCCc5ccccc54)CC3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CNS(=O)(=O)c3cc(OC)ccc3OC)cs2)cc1,0,0.0,
+COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCCc3cc(OC)ccc3OC)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(Cl)cc3)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)N3CCC4(CC3)OCCO4)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)N3CCCC3)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)N3CCc4ccccc4C3)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NC3CCCc4ccccc43)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCC3CCCO3)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCC3=CCCCC3)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCCN3CC(C)CC(C)C3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCCN3CCCC3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccccn3)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3cccnc3)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3cccnc3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccco3)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccco3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CSCC(=O)N3CCC(C(N)=O)CC3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CSCC(=O)N3CCC4(CC3)OCCO4)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CSCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CSCC(=O)N3CCN(C4CCCCC4)CC3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CSCC(=O)N3CCN(c4cccc(C)c4)C(C)C3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc4C3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CSCC(=O)NCC3CCCO3)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CSCC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(CSCC(=O)NCc3ccco3)c(C)o2)cc1,0,0.0,
+COc1ccc(-c2nc(Cn3c(SCc4cccc(F)c4)nc4ccncc43)c(C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nc(N)n(C(C)=O)n2)cc1,0,0.0,
+COc1ccc(-c2nc(N)n[nH]2)cc1OC,0,0.0,
+COc1ccc(-c2nc(N)nc(C)c2Oc2ccccc2Br)c(O)c1,0,0.0,
+COc1ccc(-c2nc(N)ncc2-c2csc(C)n2)c(O)c1,0,0.0,
+COc1ccc(-c2nc(N)ncc2Oc2ccccc2Br)c(O)c1,0,0.0,
+COc1ccc(-c2nc(N3CCCC3)[nH]c(=O)c2C#N)cc1,0,0.0,
+COc1ccc(-c2nc(N3CCCC3)nc3nn4c(C)cc(C)nc4c23)cc1,0,0.0,
+COc1ccc(-c2nc(N3CCOCC3)nc3n[nH]c(N)c23)cc1,0,0.0,
+COc1ccc(-c2nc(N3CCOCC3)nc3nn4c(C)c(CCC(=O)O)c(C)nc4c23)cc1,0,0.0,
+COc1ccc(-c2nc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)sc2C)cc1,0,0.0,
+COc1ccc(-c2nc(NC(=O)CSc3nnc(C)s3)ns2)cc1,0,0.0,
+COc1ccc(-c2nc(NC(=O)c3cc(C(C)(C)C)nn3C)sc2C)cc1,0,0.0,
+COc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCC3)o2)cc1,0,0.0,
+COc1ccc(-c2nc(SC)n(C(=O)c3ccco3)n2)cc1,0,0.0,
+COc1ccc(-c2nc(SC)n(C)c(=O)c2C#N)cc1OC,0,0.0,
+COc1ccc(-c2nc(SC)n(S(=O)(=O)c3ccccc3)n2)cc1,0,0.0,
+COc1ccc(-c2nc(SCC(=O)N3CCOCC3)n[nH]2)cc1,0,0.0,
+COc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)cc1OC,0,0.0,
+COc1ccc(-c2nc3c(=O)n(C)c(=O)[nH]c3n2CCc2ccccc2)cc1,0,0.0,
+COc1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)cc1,0,0.0,
+COc1ccc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CC2CC(c3ccccc3)=NO2)cc1OC,0,0.0,
+COc1ccc(-c2nc3c(c(SCC(=O)N4CCOCC4)n2)COC(C)(C)C3)cc1,0,0.0,
+COc1ccc(-c2nc3c(n2O)CCC/C3=N\O)cc1,0,0.0,
+COc1ccc(-c2nc3c(n2O)CCCC3=O)cc1OC,0,0.0,
+COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccnc1,0,0.0,
+COc1ccc(-c2nc3cc(NC(=O)Cc4ccc(OC)c(OC)c4)ccc3o2)cc1,0,0.0,
+COc1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3o2)cc1,0,0.0,
+COc1ccc(-c2nc3cccc(C)n3c2NCc2ccco2)cc1OC,0,0.0,
+COc1ccc(-c2nc3ccccc3c(=O)n2CCCN2CCOCC2)cc1,0,0.0,
+COc1ccc(-c2nc3ccccc3c(=O)n2CCCn2ccnc2)cc1,0,0.0,
+COc1ccc(-c2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1,0,0.0,
+COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Br)o1,0,0.0,
+COc1ccc(-c2nc3ccccc3s2)cc1O,0,0.0,
+COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+COc1ccc(-c2nc3n(c(=O)c2C#N)CCCS3)cc1,0,0.0,
+COc1ccc(-c2nc3n(c2Br)CCC3)cc1,0,0.0,
+COc1ccc(-c2nc3n(n2)C(=O)CC(c2ccco2)S3)cc1,0,0.0,
+COc1ccc(-c2nc3n(n2)C(c2ccccc2)C2=C(CCCC2=O)N3)cc1OC,0,0.0,
+COc1ccc(-c2nc3n(n2)C(c2ccccc2Cl)C(C(N)=O)=C(C)N3)cc1,1,100.0,0.0
+COc1ccc(-c2nc3n(n2)C(c2cccnc2)C(C(N)=O)=C(C)N3)cc1,0,0.0,
+COc1ccc(-c2nc3n(n2)C(c2ccncc2)C(C(N)=O)=C(C)N3)cc1,0,0.0,
+COc1ccc(-c2nc3nc(C)c(Cc4ccccc4)c(=O)n3[nH]2)cc1,0,0.0,
+COc1ccc(-c2nc3nc(C)cc(C)n3n2)cc1,0,0.0,
+COc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+COc1ccc(-c2nc3oc4cc(OC)ccc4c(=O)c3c(=O)n2Cc2ccco2)cc1,0,0.0,
+COc1ccc(-c2nc3scc(-c4ccccc4)n3n2)cc1,0,0.0,
+COc1ccc(-c2ncc3ccccn23)cc1,0,0.0,
+COc1ccc(-c2ncncc2-c2csc(C)n2)c(O)c1,0,0.0,
+COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/n2cnnc2)cc1OC,0,0.0,
+COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCn2ccnc2)cc1,0,0.0,
+COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(CC(C)=O)ns2)cc1,0,0.0,
+COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1,0,0.0,
+COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)CN1CCOCC1,0,0.0,
+COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccco1,0,0.0,
+COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNS(C)(=O)=O,0,0.0,
+COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)Cn1nc(C)c2ccccc2c1=O,0,0.0,
+COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NS(C)(=O)=O,0,0.0,
+COc1ccc(-c2nn(C)c3sc(C(=O)N4CCOCC4)cc23)cc1OC,0,0.0,
+COc1ccc(-c2nn(C)c3sc(C(=O)NCc4ccco4)cc23)cc1OC,0,0.0,
+COc1ccc(-c2nn(CC(=O)N(C)C)c(=O)c3ccccc23)cc1,0,0.0,
+COc1ccc(-c2nn(CCC(=O)O)cc2CCC(=O)O)cc1,0,0.0,
+COc1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1,0,0.0,
+COc1ccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc1OC,0,0.0,
+COc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,0,0.0,
+COc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1OC,0,0.0,
+COc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1OC,0,0.0,
+COc1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1OC,0,0.0,
+COc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1OC,0,0.0,
+COc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1OC,0,0.0,
+COc1ccc(-c2nn3c(COc4ccccc4)nnc3s2)cc1OC,0,0.0,
+COc1ccc(-c2nn3cnnc3s2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(-c3ccc(N(C)C)cc3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(-c3cccnc3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(-c3cccs3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(COc3ccc4ccccc4c3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(CSc3nc4ccccc4c(=O)n3C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(CSc3nc4ccccc4c(=O)n3CC(C)C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(CSc3nc4ccccc4c(=O)n3CC3CCCO3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(CSc3ncnc4sc5c(c34)CCC5)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(CSc3nnc(-c4ccncc4)n3C3CCCCC3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(N(C)C(=O)c3cccnc3)s2)cc1,0,0.0,
+COc1ccc(-c2nnc(N)s2)cc1,0,0.0,
+COc1ccc(-c2nnc(NC(=O)C(C)C)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(NC(=O)C(C)C)s2)c(OC)c1,0,0.0,
+COc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1,0,0.0,
+COc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4COCC4(C)C)cc3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(NC(=O)c3ccccc3C)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)c(OC)c1,0,0.0,
+COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SC(=O)N3c4ccccc4Sc4ccccc43)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SC(C)C#N)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SC(C)C(=O)Nc3ccc4c(c3)OCCO4)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SC(C)C(=O)Nc3cccc(Cl)c3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SC(C)C(=O)Nc3nccs3)n2-c2ccccc2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SC)n2C)cc1,0,0.0,
+COc1ccc(-c2nnc(SC3CCOC3=O)n2C2CCCCC2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC#CCO)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC#N)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)/C(C#N)=C(\C)N)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)N3CCC(Cc4ccccc4)CC3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)N3CCCC(C)C3)o2)c(OC)c1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)N3CCCC3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)N3CCCCC3)o2)c(OC)c1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)N3CCCCC3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2N)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc4C3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)NC(=O)NCc3ccco3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)NC(C)C)n2CC2CCCO2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)NC3CCCCC3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)NCc3ccco3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2N)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)Nc3ncc(C)s3)n2-c2ccccc2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2CC2CCCO2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)OC3CCCCC3)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(Cc4cccs4)c3C)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)c3ccc(C)o3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)c3ccco3)n2-c2ccccc2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)c3cccs3)o2)c(OC)c1,0,0.0,
+COc1ccc(-c2nnc(SCC(=O)c3cccs3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCC(N)=O)n2N)cc1,0,0.0,
+COc1ccc(-c2nnc(SCCC(=O)O)n2-c2ccccc2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCCC(=O)O)n2C)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCCOc3cccc(C)c3)n2N)cc1,0,0.0,
+COc1ccc(-c2nnc(SCCc3ccccc3)n2N)cc1,0,0.0,
+COc1ccc(-c2nnc(SCc3cc(C)cc(C)c3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCc3cccc(C#N)c3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCc3ccccc3)n2N)cc1,0,0.0,
+COc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1OC,0,0.0,
+COc1ccc(-c2nnc(SCc3csc(N)n3)n2C)cc1,0,0.0,
+COc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)n2-c2ccccc2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2-c2ccccc2)cc1,0,0.0,
+COc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2C)cc1OC,0,0.0,
+COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCN(CCO)CC1,0,0.0,
+COc1ccc(-c2nnc3ccc(SC(C(C)=O)C(C)=O)nn23)cc1OC,0,0.0,
+COc1ccc(-c2nnc3ccc(SC)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3ccc(SCC(=O)N4CCCC4)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3ccc(SCC(=O)N4CCCCC4)nn23)cc1OC,0,0.0,
+COc1ccc(-c2nnc3ccc(SCC(=O)N4CCCCCC4)nn23)cc1OC,0,0.0,
+COc1ccc(-c2nnc3ccc(SCC(=O)N4CCN(c5ccccc5)CC4)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3ccc(SCC(=O)N4CCN(c5ccccc5)CC4)nn23)cc1OC,0,0.0,
+COc1ccc(-c2nnc3ccc(SCC(=O)N4CCOCC4)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3ccc(SCC(=O)NCC4CCCO4)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1OC,0,0.0,
+COc1ccc(-c2nnc3ccc(SCC(N)=O)nn23)cc1OC,0,0.0,
+COc1ccc(-c2nnc3n2-c2ccccc2SC3)cc1OC,0,0.0,
+COc1ccc(-c2nnc3n2N=C(C)CS3)cc1OC,0,0.0,
+COc1ccc(-c2nnc3n2N=C(c2cccc(Br)c2)CS3)cc1OC,0,0.0,
+COc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1OC,0,0.0,
+COc1ccc(-c2nnc3sc(-c4c(OC)cccc4OC)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1OC,0,0.0,
+COc1ccc(-c2nnc3sc(-c4ccccc4OC)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1OC,0,0.0,
+COc1ccc(-c2nnc3sc(-c4cccs4)nn23)cc1OC,0,0.0,
+COc1ccc(-c2nnc3sc(C(C)N4C(=O)c5ccccc5C4=O)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3sc(C4CCCCC4)nn23)cc1OC,0,0.0,
+COc1ccc(-c2nnc3sc(CCN4C(=O)c5ccccc5C4=O)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3sc(CN4C(=O)c5ccccc5C4=O)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3sc(COc4ccc(C)cc4)nn23)cc1,0,0.0,
+COc1ccc(-c2nnc3sc(COc4ccccc4)nn23)cc1,0,0.0,
+COc1ccc(-c2nnco2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CC(=O)N(C3CCCC3)C(C)C(=O)NC3CCCC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)C(C)C(=O)NC3CCCC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3cccs3)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cccc(C)c3)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3cccs3)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccccc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CC(=O)N(CCO)C(C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1,0,0.0,
+COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C)C(=O)NC3CCCC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CC(=O)NC3CCCc4ccccc43)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1,0,0.0,
+COc1ccc(-c2nnn(CC(=O)OC3CCCCC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CC(=O)c3c[nH]c4ccccc34)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CC(=O)c3ccccc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(CCc3nn[nH]n3)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnn(Cc3nc(N)nc(N4CCCCC4)n3)n2)cc1,1,100.0,0.0
+COc1ccc(-c2nnn(Cc3nn[nH]n3)n2)cc1OC,0,0.0,
+COc1ccc(-c2nnnn2-c2ccccc2OC)cc1,0,0.0,
+COc1ccc(-c2nnnn2C)cc1S(=O)(=O)NCc1ccccc1,0,0.0,
+COc1ccc(-c2nnnn2CCc2ccccc2)cc1,0,0.0,
+COc1ccc(-c2noc(-c3cc(C)cc(C)c3)n2)cc1OC,1,100.0,1.0
+COc1ccc(-c2noc(-c3cc(Cl)ccc3Cl)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(-c3cccc(OC)c3OC)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccc(OC)c3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccnc3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccnc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(-c3ccccc3Cl)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(-c3ccccc3F)n2)cc1,0,0.0,
+COc1ccc(-c2noc(-c3ccco3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(C)c2-c2ccc3ccccc3n2)c(O)c1,0,0.0,
+COc1ccc(-c2noc(C3CCCN(C(=O)CCc4ccccc4)C3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4OC)C3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(C3CCCN(C(=O)c4cccs4)C3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(C)c(Cl)c4)C3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4C)C3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CCC(=O)N(C)c3cccc(C)c3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCC(=O)NC3CCCCC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CCC(=O)NCC3CCN(Cc4cccc(C)c4)CC3)n2)cc1,1,100.0,1.0
+COc1ccc(-c2noc(CCC(=O)NCCCN3CCC(C)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCC(=O)NCCCN3CCC(Cc4ccccc4)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCC(=O)NCCN(C)Cc3ccccc3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCC(=O)NCCN3CCN(c4ccccc4F)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCC(=O)NCc3cc(Br)ccc3OC)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)c(OC)cc3OC)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCC(=O)Nc3cc(OC)ccc3OC)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(C)c3)n2)cc1,1,100.0,0.0
+COc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1,1,100.0,
+COc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1,1,100.0,
+COc1ccc(-c2noc(CCC(N)=O)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CCCC(=O)NCCc3ccccc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CCCC(=O)NCc3ccco3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CCCC(=O)O)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CCCc3ccccc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CCN3C(=O)c4ccccc4C3=O)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CN(C(=O)C(C)(C)C)C(C)C)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CN(C(=O)c3c(-c4ccccc4Cl)noc3C)C(C)C)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CN(C(=O)c3ccc(OC(C)=O)cc3)C(C)C)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)cc3)n2)cc1,1,100.0,0.0
+COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CN3C(=O)c4ccccc4C3=O)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CN3CCN(c4ccccc4F)CC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CN3CCOCC3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(COc3ccc(C)c(C)c3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(COc3ccc(Cl)c(C)c3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1,0,0.0,
+COc1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(COc3ccc4ccccc4c3Br)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(COc3ccccc3OC)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CSc3ccccc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CSc3nc(N)c(-c4ccccc4)c(=O)[nH]3)n2)cc1,1,100.0,0.0
+COc1ccc(-c2noc(CSc3nc(N)c(-c4ccccc4)c(=O)[nH]3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccccc3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccccc3)n2)cc1OC,1,100.0,0.0
+COc1ccc(-c2noc(CSc3nnc(-c4ccncc4)n3-c3ccc(F)cc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CSc3nnc(CCc4ccccc4)n3-c3ccccc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(CSc3nnc(Cc4ccccc4)n3-c3cccc(C)c3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1OC,0,0.0,
+COc1ccc(-c2noc(Cc3ccccc3OC)n2)cc1,0,0.0,
+COc1ccc(-c2noc(Cc3cccs3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(N(C)CC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1,0,0.0,
+COc1ccc(-c2noc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)cc1,0,0.0,
+COc1ccc(-c2nsc(SCC(=O)Nc3cc(C)on3)n2)cc1,0,0.0,
+COc1ccc(-c2nsc3c(N4CCCC4)ncnc23)cc1,0,0.0,
+COc1ccc(-c2nsc3c(N4CCN(C(=O)c5ccco5)CC4)ncnc23)cc1,0,0.0,
+COc1ccc(-c2nsc3c(N4CCN(S(=O)(=O)c5ccccc5)CC4)ncnc23)cc1,0,0.0,
+COc1ccc(-c2oc(/N=C/N3CCOCC3)c(C#N)c2-c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(-c2oc3ncn(CCN4CCOCC4)c(=N)c3c2-c2ccc(OC)cc2)cc1,1,100.0,1.0
+COc1ccc(-c2oc3ncn4nc(COc5ccccc5)nc4c3c2-c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(-c2oc3ncn4nc(Cc5ccccc5)nc4c3c2-c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(-c2oc3ncnc(NCCCN4CCOCC4)c3c2-c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(-c2oc3ncnc(NCCN4CCOCC4)c3c2-c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(-c2ocnc2C(=O)Nc2ccccc2N2CCCCC2)cc1,0,0.0,
+COc1ccc(-c2onc(C)c2-c2ccc(C(=O)OC(C)C)o2)c(O)c1,0,0.0,
+COc1ccc(-c2onc(C)c2-c2ccccc2)c(O)c1,0,0.0,
+COc1ccc(-c2onc3ccc(Cl)cc23)cc1OC,0,0.0,
+COc1ccc(-c2sccc2C(C)C(=O)O)cc1,0,0.0,
+COc1ccc(-n2[nH]c(C)cc2=O)cc1,0,0.0,
+COc1ccc(-n2c(-c3ccco3)n[nH]c2=S)cc1,0,0.0,
+COc1ccc(-n2c(/C=C(\C)O)nc(=O)c3c(C)cc(C)nc32)cc1,0,0.0,
+COc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)c(OC)c1,0,0.0,
+COc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCCc4ccccc43)c2=O)cc1,0,0.0,
+COc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1,0,0.0,
+COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(NC(C)=O)cc3)c2=O)cc1,0,0.0,
+COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1,0,0.0,
+COc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)NCc3ccco3)c2=O)CCC4)c(OC)c1,0,0.0,
+COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CC(C)CC4)cc1,0,0.0,
+COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CCCC4)cc1,0,0.0,
+COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)COC(C(C)C)C4)cc1,0,0.0,
+COc1ccc(-n2c(=O)c3c4c(sc3n3cnnc23)CC(C)CC4)cc1,0,0.0,
+COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCC3)c2=O)c(OC)c1,0,0.0,
+COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)c(OC)c1,0,0.0,
+COc1ccc(-n2c(=O)cc(N3CC(C)OC(C)C3)[nH]c2=O)cc1,0,0.0,
+COc1ccc(-n2c(=O)cc(N3CCCCCC3)[nH]c2=O)cc1,0,0.0,
+COc1ccc(-n2c(=O)cc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)cc1,0,0.0,
+COc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4)CC3)[nH]c2=O)cc1,0,0.0,
+COc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4F)CC3)[nH]c2=O)cc1,0,0.0,
+COc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4OC)CC3)[nH]c2=O)cc1,0,0.0,
+COc1ccc(-n2c(=O)cc(N3CCOCC3)[nH]c2=O)cc1,0,0.0,
+COc1ccc(-n2c(=O)cc(N3CCc4ccccc43)[nH]c2=O)cc1,0,0.0,
+COc1ccc(-n2c(=S)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)cc1,0,0.0,
+COc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1OC,0,0.0,
+COc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1,0,0.0,
+COc1ccc(-n2c(C)cc(=O)c3c2CC(C)(C)CC3=O)cc1,0,0.0,
+COc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3cnc4ccccc43)c2C)cc1,1,100.0,
+COc1ccc(-n2c(C)cc(C(=O)COc3ccc(-n4cnnn4)cc3)c2C)cc1,0,0.0,
+COc1ccc(-n2c(C)cc(C(=O)CSc3nn4c(=O)c(C(C)(C)C)nnc4s3)c2C)cc1,0,0.0,
+COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccs4)o3)c2C)cc1,0,0.0,
+COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccoc4C)n3C)c2C)cc1,0,0.0,
+COc1ccc(-n2c(C)cc(C(=O)Cn3c(NCCO)nc4ccccc43)c2C)cc1,0,0.0,
+COc1ccc(-n2c(C)cc(C(=O)Cn3nnc4ccccc4c3=O)c2C)cc1,0,0.0,
+COc1ccc(-n2c(C)nc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1,0,0.0,
+COc1ccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1,0,0.0,
+COc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1,0,0.0,
+COc1ccc(-n2c(C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)ccc32)cc1,0,0.0,
+COc1ccc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc1,0,0.0,
+COc1ccc(-n2c(C)nc3cc(C(=O)NCc4ccco4)ccc32)cc1,0,0.0,
+COc1ccc(-n2c(C)nnc2SCC(=O)N2C(C)CCCC2C)cc1,0,0.0,
+COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(N)=O)cc1,0,0.0,
+COc1ccc(-n2c(COc3cccc(C)c3)nnc2SCC(=O)NCc2ccco2)cc1,0,0.0,
+COc1ccc(-n2c(COc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1,1,100.0,0.0
+COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)Nc2nccs2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCC(C)CC2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCC2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccccc2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCC(C)CC2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCCC2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCCc3ccccc32)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC2CCCC2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC2CCCCC2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCC2CCCO2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCCc2ccccc2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccccc2Cl)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccco2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cc(Cl)ccc2OC)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(Cl)cc2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(F)cc2F)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(Cl)c2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(F)c2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(NC(C)=O)c2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(OC)c2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2C)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2F)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2OC)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2nc(C)cs2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2nccs2)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(N)=O)cc1,0,0.0,
+COc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SC)cc1,0,0.0,
+COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SCC(=O)N2CCCC2)cc1,0,0.0,
+COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SCC(=O)N2CCCCC2)cc1,0,0.0,
+COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SCC(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SCC(N)=O)cc1,0,0.0,
+COc1ccc(-n2c(Cn3nnc4ccccc43)nnc2SCC(=O)O)cc1,0,0.0,
+COc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)sc2=S)cc1,0,0.0,
+COc1ccc(-n2c(N)c(Br)c(=O)[nH]c2=O)cc1,0,0.0,
+COc1ccc(-n2c(N)c(C(=O)NCC3CCCO3)c3nc4ccccc4nc32)c(OC)c1,0,0.0,
+COc1ccc(-n2c(N)c(C(=O)NCC3CCCO3)sc2=S)cc1,0,0.0,
+COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c(OC)c1,0,0.0,
+COc1ccc(-n2c(NC(=O)c3ccco3)c(C#N)c3nc4ccccc4nc32)cc1,0,0.0,
+COc1ccc(-n2c(O)c(/C=N/n3cnnc3)c3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(-n2c(O)c(C(C)=NC3CC3)c(=O)[nH]c2=O)cc1,0,0.0,
+COc1ccc(-n2c(O)c(C(C)=NCc3ccco3)c(=O)[nH]c2=O)cc1,0,0.0,
+COc1ccc(-n2c(O)c(C=NC3CC3)c(=O)[nH]c2=O)cc1,0,0.0,
+COc1ccc(-n2c(SC)nc(O)cc2=O)cc1,0,0.0,
+COc1ccc(-n2c(SC)nc3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(-n2c(SC)nnc2-c2c[nH]c3ccccc23)cc1,0,0.0,
+COc1ccc(-n2c(SC3CCOC3=O)nc3ccccc32)cc1,0,0.0,
+COc1ccc(-n2c(SC3CCOC3=O)nc3ccccc3c2=O)cc1OC,0,0.0,
+COc1ccc(-n2c(SCC#N)nc3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(-n2c(SCC#N)nnc2-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1,0,0.0,
+COc1ccc(-n2c(SCC#N)nnc2-c2cccnc2)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)N3CCCC(C)C3)nnc2-c2cccnc2)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c([nH]c4ccccc43)c2=O)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)N3CCCCC3)nc(O)cc2=O)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2cccnc2)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)N3CCCCC3C)nnc2-c2cccnc2)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc3c(c2=O)SCC3)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)NCC3CCCO3)nc3n[nH]c(C)c3c2=N)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2ccoc2C)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(c2=O)SCC3)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3ccc(O)cc3c2=O)cc1OC,0,0.0,
+COc1ccc(-n2c(SCC(=O)Nc3ccc(C(=O)O)cc3)nnc2-c2cccs2)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3c(c2=O)SCC3)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2C(C)N2CCCCC2)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3c(c2=O)SCC3)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SC(C)C3)cc1,1,100.0,
+COc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SCC3)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3sc4c(c3c2=O)CCN(C)C4)cc1,0,0.0,
+COc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3ccccc32)cc1,0,0.0,
+COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CCN(C)C4)cc1,0,0.0,
+COc1ccc(-n2c(SCCC#N)nnc2-c2cc(Cl)ccc2OC)cc1Cl,0,0.0,
+COc1ccc(-n2c(SCCC(=O)O)nnc2-c2ccncc2)cc1,0,0.0,
+COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccn2)cc1,0,0.0,
+COc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2-c2ccccc2)cc1,0,0.0,
+COc1ccc(-n2c3c(cc(C(=O)N4CCC(C)CC4)c2=O)C(=O)CC(C)(C)C3)cc1,0,0.0,
+COc1ccc(-n2c3c(cc(C(=O)N4CCCCC4)c2=O)C(=O)CC(C)(C)C3)cc1,0,0.0,
+COc1ccc(-n2c3c(cc(C(=O)N4CCN(CCO)CC4)c2=O)C(=O)CC(C)(C)C3)cc1,0,0.0,
+COc1ccc(-n2c3c(cc(C(=O)NC4CCSC4=O)c2=O)C(=O)CC(C)(C)C3)cc1,0,0.0,
+COc1ccc(-n2c3c(cc(C(=O)Nc4ccc5c(c4)C(=O)NC5=O)c2=O)C(=O)CCC3)cc1,0,0.0,
+COc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN(CCO)CC4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ccc(=O)c3c2CCCC3=O)cc1,0,0.0,
+COc1ccc(-n2ccnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1,0,0.0,
+COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2)cc1,0,0.0,
+COc1ccc(-n2ccsc2=S)cc1,0,0.0,
+COc1ccc(-n2cnc3c(cnn3CCC#N)c2=N)cc1,0,0.0,
+COc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1,0,0.0,
+COc1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1,0,0.0,
+COc1ccc(-n2cnnc2)cc1,0,0.0,
+COc1ccc(-n2cnnc2SC(C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1,0,0.0,
+COc1ccc(-n2cnnc2SCC(=O)N(C)C2CCS(=O)(=O)C2)cc1,0,0.0,
+COc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1,0,0.0,
+COc1ccc(-n2cnnc2SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,0,0.0,
+COc1ccc(-n2cnnc2SCCC#N)cc1,0,0.0,
+COc1ccc(-n2cnnc2SCc2cnc(-c3ccccc3)s2)cc1,0,0.0,
+COc1ccc(-n2cnnc2SCc2csc(-c3ccccc3)n2)cc1,0,0.0,
+COc1ccc(-n2cnnc2SCc2ncc(-c3ccccc3)o2)cc1,0,0.0,
+COc1ccc(-n2nc(C(=O)N3CCC(C#N)CC3)c3c4ccccc4n(C)c3c2=O)cc1,0,0.0,
+COc1ccc(-n2nc(C(=O)N3CCCCC3)c3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(-n2nc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(-n2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3c2=O)c(OC)c1,0,0.0,
+COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4ccccn4)CC3)c3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(-n2nc(C(=O)NCC(=O)NCC3CCCO3)c3ccccc3c2=O)c(OC)c1,0,0.0,
+COc1ccc(-n2nc(C(=O)NCC(=O)NCC3CCCO3)c3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(-n2nc(C(=O)NCC(=O)NCc3ccco3)c3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(-n2nc(C(=O)NCC(=O)NCc3ccco3)c3ccccc3c2=O)cc1Cl,0,0.0,
+COc1ccc(-n2nc(C(=O)NCc3ccco3)c3c4ccccc4n(C)c3c2=O)cc1,0,0.0,
+COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3c4ccccc4n(C)c3c2=O)cc1,0,0.0,
+COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)c(OC)c1,0,0.0,
+COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(-n2nc(C(=O)O)c3ccccc3c2=O)c(OC)c1,0,0.0,
+COc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)C[S+]([O-])C3)cc1,0,0.0,
+COc1ccc(-n2nc3c(c2NC(=O)C2CC2)C[S+]([O-])C3)cc1,0,0.0,
+COc1ccc(-n2nc3c(c2NC(=O)C2CCCC2)C[S+]([O-])C3)cc1,0,0.0,
+COc1ccc(-n2nc3c(c2NC(=O)Cc2cccc(C)c2)C[S+]([O-])C3)cc1,0,0.0,
+COc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CS(=O)(=O)C3)cc1,0,0.0,
+COc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)C[S+]([O-])C3)cc1,0,0.0,
+COc1ccc(-n2nc3c(c2NC(=O)c2cc(Br)ccc2Cl)C[S+]([O-])C3)cc1,0,0.0,
+COc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)CS(=O)(=O)C3)cc1,0,0.0,
+COc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)C[S+]([O-])C3)cc1,0,0.0,
+COc1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1,0,0.0,
+COc1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)cc1,0,0.0,
+COc1ccc(-n2nc3cc(C)c(NC(=O)CC(C)C)cc3n2)cc1,0,0.0,
+COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4)cc3n2)cc1,0,0.0,
+COc1ccc(-n2nc3ccc(NS(C)(=O)=O)cc3n2)cc1Cl,0,0.0,
+COc1ccc(-n2nc3ccccc3n2)cc1,0,0.0,
+COc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(N(C)C4CCCCC4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(N4CCN(c5cc(C)ccc5C)CC4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(N4CCN(c5cccc(C)c5C)CC4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(NC(C)C)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(NCC(C)C)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2ncc3c(Nc4cccc(C)c4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(=O)n(C/C=C/c4ccccc4)cnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCC(C)CC4)cnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCC(Cc5ccccc5)CC4)cnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCC4)cnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCCC4)cnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(=O)n(Cc4cc(C)ccc4C)cnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(=O)n(Cc4cccc(C)c4)cnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(=O)n(Cc4ccccc4C)cnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(SCC(=O)N4CCCc5ccccc54)ncnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(SCC(=O)N4CCN(c5ccccc5)CC4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(SCC(=O)NCC4CCCO4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(SCC(=O)NCc4ccco4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(SCC(=O)Nc4ccc5c(c4)OCCO5)ncnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(SCC(=O)OCc4ccccc4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(SCC(=O)c4ccccc4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2nnc3c(SCc4ccccc4)ncnc32)cc1,0,0.0,
+COc1ccc(-n2nnnc2-c2cccc(OC)c2)cc1,0,0.0,
+COc1ccc(-n2nnnc2-c2cccnc2)cc1,0,0.0,
+COc1ccc(-n2nnnc2S(=O)(=O)CC(=O)N2CCCCC2)cc1,0,0.0,
+COc1ccc(-n2nnnc2S(=O)(=O)Cc2ccc(C(=O)O)cc2)cc1,0,0.0,
+COc1ccc(-n2nnnc2SC(C)C(N)=O)cc1,0,0.0,
+COc1ccc(-n2nnnc2SCC#CCO)cc1,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)N2C(C)CCCC2C)c(OC)c1,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)N2CCCC2)cc1OC,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)NCCc2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)NCc2ccco2)cc1OC,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)n2)cc1OC,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)Nc2nnc(C)s2)cc1OC,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)c2cc3ccccc3o2)cc1,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)c2ccc(O)c(O)c2)cc1,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)OCCO3)c(OC)c1,0,0.0,
+COc1ccc(-n2nnnc2SCC(=O)c2cccc(OC)c2)cc1,0,0.0,
+COc1ccc(-n2nnnc2SCC(N)=O)cc1,0,0.0,
+COc1ccc(-n2nnnc2Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1,0,0.0,
+COc1ccc(/C(C)=N\n2cnnc2)cc1,0,0.0,
+COc1ccc(/C(CC2(O)C(=O)Nc3ccccc32)=N\O)cc1,1,100.0,0.0
+COc1ccc(/C(N)=C/C(=O)C(C)(C)C)cc1,1,100.0,0.0
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CC3CCCO3)C2c2cccc(OC)c2)cc1,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCC(=O)O)C2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCC(=O)O)C2c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2ccc(C)o2)cc1Cl,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2ccc(Cl)cc2)cc1OC,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2cccc(Cl)c2)cc1OC,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2ccccc2)cc1Cl,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2ccccc2)cc1OC,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2cccnc2)cc1,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2ccco2)cc1Cl,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(C)cc2)cc1Cl,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(F)cc2)cc1Cl,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(OC)c(OC)c2)c(C)c1,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccccc2)cc1Cl,1,100.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccccn2)cc1OC,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccn2)cc1,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccn2)cc1OC,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)cc1OC,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2ccccn2)cc1,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2ccncc2)cc1F,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2cccs2)cc1,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)C2c2ccco2)cc1,0,0.0,
+COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)C2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(/C(O)=C2\C(=O)C(=O)N(CC3CCCO3)C2c2cc(OC)ccc2OC)cc1,0,0.0,
+COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2ccccc2F)cc1Cl,0,0.0,
+COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cc(OC)c(OC)c(OC)c2)c(C)c1,0,0.0,
+COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)cc1,0,0.0,
+COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)cc1Cl,0,0.0,
+COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccc2OC)cc1,0,0.0,
+COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)C2c2cc(OC)ccc2OC)cc1,0,0.0,
+COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2ccc(OC)c(OC)c2)cc1OC,0,0.0,
+COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2cccc(OC)c2OC)cc1C,0,0.0,
+COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2ccccc2OC)cc1,0,0.0,
+COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2ccccc2OC)cc1C,0,0.0,
+COc1ccc(/C=C(/C#N)c2cccnc2)cc1OC,0,0.0,
+COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC,0,0.0,
+COc1ccc(/C=C/C(O)=C2/C(=O)N(C)C3(C)CC2c2ccccc2O3)cc1,0,0.0,
+COc1ccc(/C=C/C2=N/C(=C\N(C)C)C(=O)O2)cc1,0,0.0,
+COc1ccc(/C=N/O)cc1COc1ccc(NC(C)=O)cc1,0,0.0,
+COc1ccc(/C=N/c2nc3ccccc3n2C)cc1OC,0,0.0,
+COc1ccc(/C=N/n2c(=O)[nH]c3c([nH]c4ccc(C)cc43)c2=O)cc1CN1CCOCC1,0,0.0,
+COc1ccc(/C=N/n2c(C)nnc2C)c(OC)c1,0,0.0,
+COc1ccc(/C=N/n2c(C)nnc2C)c(OC)c1OC,0,0.0,
+COc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2)c(OC)c1OC,0,0.0,
+COc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2)cc1C,0,0.0,
+COc1ccc(/C=N/n2cc(-c3ccc(OC)cc3)nc2N)cc1,0,0.0,
+COc1ccc(/C=N/n2cc(-c3ccccc3)nc2N)cc1,0,0.0,
+COc1ccc(/C=N/n2cncn2)cc1COc1ccc(NC(C)=O)cc1,0,0.0,
+COc1ccc(/C=N/n2cncn2)cc1CSc1ccccn1,0,0.0,
+COc1ccc(/C=N/n2cnnc2)cc1COc1ccccn1,0,0.0,
+COc1ccc(/C=N/n2cnnc2SCCO)cc1OC,0,0.0,
+COc1ccc(/C=N/n2cnnc2SCc2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1,0,0.0,
+COc1ccc(/C=N\n2nnc3ccccc32)cc1,0,0.0,
+COc1ccc(Br)c(C(=O)Nn2c(C)nc3ccccc3c2=O)c1,0,0.0,
+COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccco3)sc1C2,0,0.0,
+COc1ccc(Br)cc1-c1nc(C)c(C(C)=O)n1O,0,0.0,
+COc1ccc(Br)cc1-c1noc(-c2ccccc2)n1,0,0.0,
+COc1ccc(Br)cc1-c1noc(-c2ccccc2F)n1,0,0.0,
+COc1ccc(Br)cc1-c1noc(-c2ccncc2)n1,0,0.0,
+COc1ccc(Br)cc1/C=N/n1c(C)nnc1C,0,0.0,
+COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccco3)nn2c1=O,0,0.0,
+COc1ccc(Br)cc1C(=O)NCc1cccnc1,0,0.0,
+COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+COc1ccc(Br)cc1C(=O)Nc1ccc(O)cc1,0,0.0,
+COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1,0,0.0,
+COc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1,0,0.0,
+COc1ccc(Br)cc1C(=O)Nc1nnn(C)n1,0,0.0,
+COc1ccc(Br)cc1C(=O)O,0,0.0,
+COc1ccc(Br)cc1C1CC(=O)N2CN(C)CSC2=C1C#N,0,0.0,
+COc1ccc(Br)cc1C1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N,0,0.0,
+COc1ccc(Br)cc1C1N2CC3(C)CN1CC(C)(C2)C3=O,0,0.0,
+COc1ccc(Br)cc1C1NC(=O)c2c(sc3c2CCN(C)C3)N1,0,0.0,
+COc1ccc(Br)cc1C1SCCN1S(C)(=O)=O,0,0.0,
+COc1ccc(Br)cc1CN1CCCC(C(=O)N2CCCCCC2)C1,1,100.0,1.0
+COc1ccc(Br)cc1CN1CCN(CCO)CC1,0,0.0,
+COc1ccc(Br)cc1CNC(=O)C1CCC(=O)N1C(C)C,0,0.0,
+COc1ccc(Br)cc1CNC(=O)C1CCCN(S(C)(=O)=O)C1,0,0.0,
+COc1ccc(Br)cc1CNC(=O)C1CCCN(c2nc3ccccc3o2)C1,0,0.0,
+COc1ccc(Br)cc1CNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1,0,0.0,
+COc1ccc(Br)cc1CNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+COc1ccc(Br)cc1CNC(=O)CCN1C(=O)COc2ccccc21,0,0.0,
+COc1ccc(Br)cc1CNC(=O)CCc1nc(-c2ccc(C)cc2)no1,0,0.0,
+COc1ccc(Br)cc1CNC(=O)CCc1nc(-c2ccccc2F)no1,0,0.0,
+COc1ccc(Br)cc1CNCCSc1nnnn1C,0,0.0,
+COc1ccc(Br)cc1CNc1ccc(O)cc1,0,0.0,
+COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1,0,0.0,
+COc1ccc(Br)cc1S(=O)(=O)N1CC(C)OC(C)C1,0,0.0,
+COc1ccc(Br)cc1S(=O)(=O)N1CCN=C1C,0,0.0,
+COc1ccc(Br)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(Br)cc1S(=O)(=O)n1ccnc1C,0,0.0,
+COc1ccc(C(=N/O)/C(=N/O)c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(C(=O)/C(C)=N/O)cc1OC,0,0.0,
+COc1ccc(C(=O)/C=C(\N)C(F)(F)F)c(O)c1,0,0.0,
+COc1ccc(C(=O)/C=C/N2CCCCC2)cc1OC,0,0.0,
+COc1ccc(C(=O)/C=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC,0,0.0,
+COc1ccc(C(=O)/C=C/Nc2cc(C)on2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)/C=C/Nc2cc(C)on2)cc1,0,0.0,
+COc1ccc(C(=O)/C=C/Nc2cccc(C)n2)cc1OC,0,0.0,
+COc1ccc(C(=O)/C=C\N2CCOCC2)cc1,0,0.0,
+COc1ccc(C(=O)C(C)(C)NO)cc1,0,0.0,
+COc1ccc(C(=O)C(CN2CCCC2)c2ccccc2)cc1,1,100.0,1.0
+COc1ccc(C(=O)C(CN2CCOCC2)c2ccccc2)cc1F,0,0.0,
+COc1ccc(C(=O)C(CO)Oc2ccccc2OC)cc1OC,0,0.0,
+COc1ccc(C(=O)C(Cc2ccccc2)N(C)C)cc1,0,0.0,
+COc1ccc(C(=O)C(OC(=O)CNC(=O)c2ccco2)c2ccccc2)cc1,0,0.0,
+COc1ccc(C(=O)C(c2ccccc2)N2CCOCC2)cc1,0,0.0,
+COc1ccc(C(=O)C2CCCCC2=O)cc1,0,0.0,
+COc1ccc(C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+COc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1,0,0.0,
+COc1ccc(C(=O)CC(=O)O)c2c1C=CC(C)(C)O2,0,0.0,
+COc1ccc(C(=O)CC2C(=O)N(C)C(=O)N(C)C2=O)cc1,0,0.0,
+COc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,0,0.0,
+COc1ccc(C(=O)CCC(=O)O)cc1,0,0.0,
+COc1ccc(C(=O)CCN2CCCCCC2)cc1,0,0.0,
+COc1ccc(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCCCC4)cc32)cc1,0,0.0,
+COc1ccc(C(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1OC,0,0.0,
+COc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1C,0,0.0,
+COc1ccc(C(=O)CN2C3=NCCCN3c3ccccc32)cc1OC,0,0.0,
+COc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)CN2CCOCC2)cc1F,0,0.0,
+COc1ccc(C(=O)COC(=O)CCCn2c(=O)oc3ccccc32)cc1,0,0.0,
+COc1ccc(C(=O)COC(=O)CCN=C2NS(=O)(=O)c3ccccc32)cc1OC,0,0.0,
+COc1ccc(C(=O)COC(=O)CCn2nnc(-c3cccc(O)c3OC)n2)cc1,0,0.0,
+COc1ccc(C(=O)COC(=O)CCn2nnc(-c3cccs3)n2)cc1,0,0.0,
+COc1ccc(C(=O)COC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,0,0.0,
+COc1ccc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1OC,0,0.0,
+COc1ccc(C(=O)COC(=O)CN2CC(=O)Oc3ccccc32)cc1Br,0,0.0,
+COc1ccc(C(=O)COC(=O)CSCc2c(C)noc2C)cc1OC,0,0.0,
+COc1ccc(C(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1OC,0,0.0,
+COc1ccc(C(=O)COC(=O)c2ccco2)cc1,0,0.0,
+COc1ccc(C(=O)COc2ccc(NC(C)=O)cc2)cc1,0,0.0,
+COc1ccc(C(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)=C(N)N2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2cc(C)nc3nc(C)nn23)cc1OC,0,0.0,
+COc1ccc(C(=O)CSc2n[nH]c(-c3ccco3)n2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nc(C)cc(=O)[nH]2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nc(SC)ns2)cc1OC,0,0.0,
+COc1ccc(C(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1OC,0,0.0,
+COc1ccc(C(=O)CSc2nc3nc(C)cc(C)n3n2)cc1OC,0,0.0,
+COc1ccc(C(=O)CSc2nccc(=O)[nH]2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2ncn[nH]2)cc1OC,0,0.0,
+COc1ccc(C(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(-c3cc(C)cc(C)c3)o2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2Cc2ccco2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2CC2CCCO2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(-c3ccoc3C)n2CC2CCCO2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(C(CO)NC(=O)c3ccc(OC)cc3)n2C)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(C3CCCCC3)n2N)c(OC)c1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2C)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2C)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(CNc3ccc(C)cc3C)n2Cc2ccco2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)o2)cc1,0,0.0,
+COc1ccc(C(=O)CSc2nnc(Cn3cnc4ccccc43)o2)cc1,1,100.0,1.0
+COc1ccc(C(=O)CSc2nnnn2Cc2ccccc2)cc1,0,0.0,
+COc1ccc(C(=O)Cn2c(=O)c(CCC(=O)O)nn3c4ccccc4nc23)cc1OC,0,0.0,
+COc1ccc(C(=O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+COc1ccc(C(=O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1OC,0,0.0,
+COc1ccc(C(=O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC,0,0.0,
+COc1ccc(C(=O)Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+COc1ccc(C(=O)Cn2c(N3CCOCC3)nc3ccccc32)cc1OC,0,0.0,
+COc1ccc(C(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1OC,0,0.0,
+COc1ccc(C(=O)Cn2nnc(-c3ccccc3-n3cnnn3)n2)cc1,0,0.0,
+COc1ccc(C(=O)Cn2nnc(-c3ccccc3F)n2)cc1,0,0.0,
+COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1,0,0.0,
+COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1,0,0.0,
+COc1ccc(C(=O)Cn2nnc(-c3cccs3)n2)cc1,0,0.0,
+COc1ccc(C(=O)N(CC(=O)NC(C)(C)C)c2ccc3c(c2)OCCO3)cc1OC,0,0.0,
+COc1ccc(C(=O)N(CCCO)C(C)C(=O)NC2CCCCC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N(CCCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC,0,0.0,
+COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)NC2CCCC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N(CN2CCCC2=O)c2cc(C)on2)cc1OC,0,0.0,
+COc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)cc1OC,0,0.0,
+COc1ccc(C(=O)N(CN2CCCC2=O)c2nccs2)cc1OC,0,0.0,
+COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+COc1ccc(C(=O)N(Cc2ccco2)C(C(=O)NC2CCCC2)c2ccc(O)cc2)cc1OC,0,0.0,
+COc1ccc(C(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC,0,0.0,
+COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)c(O)c1,0,0.0,
+COc1ccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1OC,0,0.0,
+COc1ccc(C(=O)N(c2ccccc2)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+COc1ccc(C(=O)N/C(N)=N/c2nc3ccccc3o2)cc1,0,0.0,
+COc1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CC3(C)CC2CC(C)(C)C3)cc1,0,0.0,
+COc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1,0,0.0,
+COc1ccc(C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1,0,0.0,
+COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1,0,0.0,
+COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1,1,100.0,0.0
+COc1ccc(C(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCCC(c3ccccc3)C2)cc1,0,0.0,
+COc1ccc(C(=O)N2CCCC(c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)C2)cc1,0,0.0,
+COc1ccc(C(=O)N2CCCC(c3nc(-c4ccc(OC)c(OC)c4)no3)C2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc1,0,0.0,
+COc1ccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCCC2)cc1,0,0.0,
+COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N1CCC(C)CC1,0,0.0,
+COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(C(=O)N2CCCC2=O)cc1,0,0.0,
+COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1ccccc1,0,0.0,
+COc1ccc(C(=O)N2CCCN(C)CC2)cc1S(=O)(=O)N1CCCc2ccccc21,0,0.0,
+COc1ccc(C(=O)N2CCCc3ccccc32)cc1,0,0.0,
+COc1ccc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1OC,1,100.0,0.0
+COc1ccc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1,0,0.0,
+COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1,0,0.0,
+COc1ccc(C(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)N2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,0,0.0,
+COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)N2CCN(c3c(C)cccc3C)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)N2CCN(c3nc4cc(C)ccc4cc3C#N)CC2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN=C2SC)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN=C2SCc2cccnc2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCN=C2c2ccccc2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCOCC2)cc1Br,0,0.0,
+COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCC(C)CC1,0,0.0,
+COc1ccc(C(=O)N2CCSC2=S)cc1OC,0,0.0,
+COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1OC,0,0.0,
+COc1ccc(C(=O)N2c3cc4c(cc3C(C)=CC2(C)C)OCO4)cc1,0,0.0,
+COc1ccc(C(=O)N2c3ccc(F)cc3CCC2C)cc1OC,0,0.0,
+COc1ccc(C(=O)N2c3ccccc3CC2C)cc1OC,0,0.0,
+COc1ccc(C(=O)N=c2nc3ccccn3s2)cc1,0,0.0,
+COc1ccc(C(=O)NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1,0,0.0,
+COc1ccc(C(=O)NC(=O)N2CCCCC2)cc1,0,0.0,
+COc1ccc(C(=O)NC(=O)Nc2cc(C)ccn2)cc1,0,0.0,
+COc1ccc(C(=O)NC(C(=O)NCc2ccccn2)C(C)C)cc1,0,0.0,
+COc1ccc(C(=O)NC(C)c2nc3ccccc3[nH]2)cc1OC,0,0.0,
+COc1ccc(C(=O)NC(C)c2nc3ccccc3n2C)cc1OC,0,0.0,
+COc1ccc(C(=O)NC(C)c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1,0,0.0,
+COc1ccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)cc1,0,0.0,
+COc1ccc(C(=O)NC2=C(C#N)CCC2)cc1OC,0,0.0,
+COc1ccc(C(=O)NC2CC3CCCC(C2)N3CC(C)C)cc1OC,0,0.0,
+COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCCC1,0,0.0,
+COc1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1,0,0.0,
+COc1ccc(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)NCC(=O)NC2=NCCS2)cc1,0,0.0,
+COc1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCC(=O)O)cc1,0,0.0,
+COc1ccc(C(=O)NCC(=O)OC2CCCCC2=O)cc1,0,0.0,
+COc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1OC,0,0.0,
+COc1ccc(C(=O)NCC(C)CN(C)C)cc1,0,0.0,
+COc1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1S(=O)(=O)N1CCCC1,0,0.0,
+COc1ccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3OC)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCC23C=CC(O2)C2C(=O)N(Cc4ccccc4)C(=O)C23)cc1,0,0.0,
+COc1ccc(C(=O)NCC2OCCc3ccccc32)c(O)c1,0,0.0,
+COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(C(=O)NCCCCCC(=O)O)cc1OC,0,0.0,
+COc1ccc(C(=O)NCCCn2ccnc2)cc1,0,0.0,
+COc1ccc(C(=O)NCCNC(C)=O)cc1S(=O)(=O)NCc1ccc(Cl)cc1,0,0.0,
+COc1ccc(C(=O)NCCSCc2ccco2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCCSc2ccccn2)cc1,0,0.0,
+COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccccc3)n2C)cc1,0,0.0,
+COc1ccc(C(=O)NCCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)cc1,0,0.0,
+COc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCOCC3)c3ccccc32)cc1,0,0.0,
+COc1ccc(C(=O)NCCn2cc(SCC(=O)NCc3ccco3)c3ccccc32)cc1,0,0.0,
+COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3cc(C)on3)c3ccccc32)cc1OC,0,0.0,
+COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3nnc(C)s3)c3ccccc32)cc1,0,0.0,
+COc1ccc(C(=O)NCCn2ccc3ccccc32)c(OC)c1,0,0.0,
+COc1ccc(C(=O)NCCn2ccc3ccccc32)cc1,0,0.0,
+COc1ccc(C(=O)NCCn2ccc3ccccc32)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2c(CC(C)C)oc(C)c2C(=O)O)cc1,0,0.0,
+COc1ccc(C(=O)NCc2ccccc2OC)c(OC)c1,0,0.0,
+COc1ccc(C(=O)NCc2ccccc2OC)cc1,0,0.0,
+COc1ccc(C(=O)NCc2cccnc2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(C(=O)NCc2cn3c(C)csc3n2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2cn3cccc(C)c3n2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2cn3ccccc3n2)cc1,0,0.0,
+COc1ccc(C(=O)NCc2cn3ccsc3n2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2nnc(SC)n2C2CCCCC2)cc1,0,0.0,
+COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCC(C)CC3)o2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2nnc(SCC(=O)NCc3ccc(F)cc3)o2)cc1,0,0.0,
+COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1OC,0,0.0,
+COc1ccc(C(=O)NCc2oc(-c3ccccc3)cc2C(=O)O)cc1,0,0.0,
+COc1ccc(C(=O)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(OC)c1,0,0.0,
+COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCC(C)CC3)[nH]c2=O)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCCCCC3)[nH]c2=O)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S+]([O-])C3)cc1,0,0.0,
+COc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1,0,0.0,
+COc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2cc(C)on2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)n1,0,0.0,
+COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)c(OC)n1,0,0.0,
+COc1ccc(C(=O)Nc2cc(OC)cc(OC)c2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1,0,0.0,
+COc1ccc(C(=O)Nc2cc3c(cc2C#N)OCO3)cc1S(=O)(=O)N1CCN(C)CC1,0,0.0,
+COc1ccc(C(=O)Nc2cc3c(cc2C#N)OCO3)cc1S(=O)(=O)NCc1ccco1,0,0.0,
+COc1ccc(C(=O)Nc2ccc(-c3ccc(C)o3)cc2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(C(=O)Nc2ccc(C)cn2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)n1,0,0.0,
+COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCCO)cc1,0,0.0,
+COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCc2ccco2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl,0,0.0,
+COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccc(OC)cc4)CC3)c(C#N)c2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)c(OC)c1OC,0,0.0,
+COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)cc1OC,1,100.0,
+COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(C(=O)Nc2cccc(C)c2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2cccc(OC)c2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cc(C)on1,0,0.0,
+COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NCc3ccco3)n2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C(=O)NCc2ccco2)C(C)C)cc1,0,0.0,
+COc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1,0,0.0,
+COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1Br,0,0.0,
+COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccco2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2cccnc2)cc1C(=O)Nc1cccnc1,0,0.0,
+COc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(C(=O)Nc2ccncc2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1,1,100.0,
+COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1,0,0.0,
+COc1ccc(C(=O)Nc2nccs2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1OC,0,0.0,
+COc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1,0,0.0,
+COc1ccc(C(=O)Nc2nnc(Cc3cccs3)s2)cc1OC,1,100.0,0.0
+COc1ccc(C(=O)Nc2nncs2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CC(c2ccccc2)CC1=O,0,0.0,
+COc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC,0,0.0,
+COc1ccc(C(=O)Nn2c(C)ccc2C)cc1OC,0,0.0,
+COc1ccc(C(=O)Nn2c(C3CCC3)nc3ccccc3c2=O)c(OC)c1,0,0.0,
+COc1ccc(C(=O)Nn2c(SCC(=O)NCC3CCCO3)nc3ccccc3c2=O)cc1,1,100.0,0.0
+COc1ccc(C(=O)Nn2c(SCC(=O)NCc3ccco3)nc3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(C(=O)Nn2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+COc1ccc(C(=O)Nn2cnc3scc(-c4cccs4)c3c2=O)c(O)c1,0,0.0,
+COc1ccc(C(=O)O)cc1F,0,0.0,
+COc1ccc(C(=O)O)cc1NS(=O)(=O)c1cccc2nsnc12,0,0.0,
+COc1ccc(C(=O)O)cc1Nc1cc(C)nc2ncnn12,0,0.0,
+COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCc1cccnc1,0,0.0,
+COc1ccc(C(=O)O)cc1S(=O)(=O)NCCCN1CCCC1=O,0,0.0,
+COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C)c1,0,0.0,
+COc1ccc(C(=O)OC(C)CN2CCN(C)CC2)cc1OC,0,0.0,
+COc1ccc(C(=O)OC(C)CN2CCOCC2)cc1OC,0,0.0,
+COc1ccc(C(=O)OC(COc2ccccc2)Cn2ccnc2)cc1,0,0.0,
+COc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OC,0,0.0,
+COc1ccc(C(=O)OCC(=O)c2cc(OC)ccc2OC)c(OC)c1,0,0.0,
+COc1ccc(C(=O)OCC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC,0,0.0,
+COc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+COc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1OC,0,0.0,
+COc1ccc(C(=O)OCCN2CCOCC2)cc1OC,0,0.0,
+COc1ccc(C(=O)OCCN=C2NS(=O)(=O)c3ccccc32)cc1OC,0,0.0,
+COc1ccc(C(=O)OCCNC(=O)c2c(Cl)nc3ccccn23)cc1,0,0.0,
+COc1ccc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)cc1,0,0.0,
+COc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1OC,0,0.0,
+COc1ccc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc23)cc1,0,0.0,
+COc1ccc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc23)cc1OC,0,0.0,
+COc1ccc(C(=O)Oc2ccc(/C=N/O)cc2)cc1,0,0.0,
+COc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1OC,0,0.0,
+COc1ccc(C(=O)Oc2cccnc2)cc1OC,0,0.0,
+COc1ccc(C(=O)SC2=NCCS2)cc1OC,0,0.0,
+COc1ccc(C(=O)c2c(C)oc3ccc(O)c(CN4CCOCC4)c23)cc1,0,0.0,
+COc1ccc(C(=O)c2c[nH]c3ccccc23)cc1,0,0.0,
+COc1ccc(C(=O)c2ccc(N3CCN(C4CC(=O)NC4=O)CC3)cc2)cc1F,0,0.0,
+COc1ccc(C(=O)c2ccc(N3CCOCC3)cc2)c(OC)c1,0,0.0,
+COc1ccc(C(=O)c2ccc(OC)c(N)c2)cc1N,0,0.0,
+COc1ccc(C(=O)c2ccc(OC)c(OC)c2)cc1OC,0,0.0,
+COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1,0,0.0,
+COc1ccc(C(=O)c2ccccc2)c(O)c1,0,0.0,
+COc1ccc(C(=O)c2cn[nH]c2-c2cc(Cl)ccc2O)cc1,0,0.0,
+COc1ccc(C(=O)c2cnc(C(C)C)n2C)cc1,0,0.0,
+COc1ccc(C(=O)c2coc3ccc(O)c(CN(C)C)c23)cc1,0,0.0,
+COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCCC4)c23)cc1,0,0.0,
+COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCCCC4)c23)cc1,0,0.0,
+COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)cc1,0,0.0,
+COc1ccc(C(=O)c2no[n+]([O-])c2C(=O)c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(C(=O)c2oc3ccc(Br)cc3c2NC(C)=O)cc1,0,0.0,
+COc1ccc(C(=O)c2oc3ccc(OC)cc3c2N)cc1,0,0.0,
+COc1ccc(C(=O)c2oc3ccccc3c2N)cc1,0,0.0,
+COc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1,0,0.0,
+COc1ccc(C(=O)c2sc(NC(C)C)nc2N)cc1OC,0,0.0,
+COc1ccc(C(=O)n2c(-c3ccco3)nc3ccccc32)cc1,0,0.0,
+COc1ccc(C(=O)n2ccc(C)n2)cc1Br,0,0.0,
+COc1ccc(C(=O)n2cnc(N)n2)cc1,0,0.0,
+COc1ccc(C(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1OC,0,0.0,
+COc1ccc(C(=O)n2nc(-c3ccc(Cl)cc3)nc2N)cc1OC,0,0.0,
+COc1ccc(C(=O)n2nc(-c3ccccc3)nc2N)cc1OC,0,0.0,
+COc1ccc(C(=O)n2nc(-c3ccco3)nc2SC)cc1OC,0,0.0,
+COc1ccc(C(=O)n2nnc3ccccc32)cc1Br,0,0.0,
+COc1ccc(C(=S)N(C)C)cc1OC,0,0.0,
+COc1ccc(C(=S)N2CCCC2)cc1C,0,0.0,
+COc1ccc(C(=S)N2CCN(C)CC2)cc1Br,0,0.0,
+COc1ccc(C(C#N)(CCC#N)CCC#N)cc1OC,0,0.0,
+COc1ccc(C(C#N)C2(C)OCCO2)cc1OC,0,0.0,
+COc1ccc(C(C#N)N2CCCCC2)cc1OC,0,0.0,
+COc1ccc(C(C#N)N2CCCCCC2)cc1OC,0,0.0,
+COc1ccc(C(C#N)Nc2ccccc2OC)cc1,0,0.0,
+COc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)CCC(=O)Nc2cc(C)on2)cc1,0,0.0,
+COc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCO3)cc1OC,0,0.0,
+COc1ccc(C(C(=O)NC2CCCC2)N(CCN(C)C)C(=O)c2snc(C(N)=O)c2N)cc1,0,0.0,
+COc1ccc(C(C(=O)NC2CCCC2)N2CCc3ccccc32)cc1,0,0.0,
+COc1ccc(C(C(=O)NC2CCCCC2)N(CC2CCCO2)C(=O)CNC(=O)c2ccco2)cc1,0,0.0,
+COc1ccc(C(C(=O)NC2CCCCC2)N2CCC3(CC2)OCCO3)cc1,0,0.0,
+COc1ccc(C(C(=O)Nc2ccc3c(c2)OCCO3)N(C)C(=O)CNC(C)=O)cc1,0,0.0,
+COc1ccc(C(C(=O)OC(C)CN(C)C)c2ccccc2)cc1,1,100.0,1.0
+COc1ccc(C(C(=O)OCCN(C)C)c2ccccc2)cc1,1,100.0,1.0
+COc1ccc(C(C(C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1,0,0.0,
+COc1ccc(C(C(C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC,0,0.0,
+COc1ccc(C(C(O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ccc(OC)cc3)CC2)cc1,0,0.0,
+COc1ccc(C(C(O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(C(C)(C)C)cc1NC(=O)C1C2C=CC(C2)C1C(=O)O,0,0.0,
+COc1ccc(C(C)(C)C)cc1NC(=O)C1CC=CCC1C(=O)O,0,0.0,
+COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1cnc(C)cn1,0,0.0,
+COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+COc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)noc1C,0,0.0,
+COc1ccc(C(C)(C)C)cc1NC(=O)c1ccoc1C,0,0.0,
+COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1,0,0.0,
+COc1ccc(C(C)=O)c(OC(=O)c2ccc(OC)c(OC)c2)c1,0,0.0,
+COc1ccc(C(C)=O)c(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)c1,0,0.0,
+COc1ccc(C(C)=O)c2c(O)cccc12,0,0.0,
+COc1ccc(C(C)=O)c2c1OCCO2,1,100.0,0.0
+COc1ccc(C(C)=O)cc1CN1C(=O)C(C)N(c2ccc(C)cc2)C1=O,0,0.0,
+COc1ccc(C(C)=O)cc1COC(=O)Cc1n[nH]c(=O)c2ccccc12,0,0.0,
+COc1ccc(C(C)=O)cc1COC(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+COc1ccc(C(C)=O)cc1COC(=O)c1c(C)noc1C,0,0.0,
+COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)oc1C,0,0.0,
+COc1ccc(C(C)=O)cc1COC(=O)c1ccc(OCc2c(C)noc2C)cc1,0,0.0,
+COc1ccc(C(C)=O)cc1COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(c1)OCO2,0,0.0,
+COc1ccc(C(C)=O)cc1COC(=O)c1cccc(N(C)C)c1,0,0.0,
+COc1ccc(C(C)=O)cc1COC(=O)c1cnc(C)cn1,0,0.0,
+COc1ccc(C(C)=O)cc1CSCCC(=O)O,0,0.0,
+COc1ccc(C(C)=O)cc1CSc1nc2ccccc2o1,0,0.0,
+COc1ccc(C(C)=O)cc1CSc1nnc(C)s1,0,0.0,
+COc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1,0,0.0,
+COc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccn1,0,0.0,
+COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1,0,0.0,
+COc1ccc(C(C)N2CC34C=CC(O3)C(C(=O)O)C4C2=O)cc1,0,0.0,
+COc1ccc(C(C)N2CC34C=CC(O3)C(C(=O)OCC(C)C)C4C2=O)cc1,0,0.0,
+COc1ccc(C(C)NC(=O)C2C(=O)NC3(C)CC2c2ccccc2O3)cc1,0,0.0,
+COc1ccc(C(C)NC(=O)C2CCCO2)cc1OC,0,0.0,
+COc1ccc(C(C)NC(=O)c2ccoc2C)cc1OC,0,0.0,
+COc1ccc(C(CC(=O)N2CCC3(CC2)OCCO3)NS(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(C(CC(=O)N2CCC3(CC2)OCCO3)NS(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(C(CC(=O)N2CCC3(CC2)OCCO3)NS(=O)(=O)c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(C(CC(=O)N2CCOCC2)C(C)C)cc1,0,0.0,
+COc1ccc(C(CC(=O)NC(C)(C)C)n2cccc2)cc1,0,0.0,
+COc1ccc(C(CC(=O)NCCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(C(CC(=O)Nc2nccs2)n2cccc2)cc1,0,0.0,
+COc1ccc(C(CC(=O)O)NC(=O)C2CCCCC2)cc1,0,0.0,
+COc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1,0,0.0,
+COc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1OC,0,0.0,
+COc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2OC)cc1OC,0,0.0,
+COc1ccc(C(CC(=O)O)NC(=O)Cc2ccccc2)cc1,0,0.0,
+COc1ccc(C(CC(=O)O)NC(=O)OC(C)(C)C)cc1,0,0.0,
+COc1ccc(C(CC(=O)O)NC(=O)c2ccccc2)cc1OC,0,0.0,
+COc1ccc(C(CC(=O)O)NC(=O)c2ccco2)cc1OC,0,0.0,
+COc1ccc(C(CC(=O)O)NC(=O)c2cccs2)cc1,0,0.0,
+COc1ccc(C(CC(=O)O)NC(C)=O)cc1OC,0,0.0,
+COc1ccc(C(CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1OC,0,0.0,
+COc1ccc(C(CCN2C(=O)CCC2=O)C(C)C)cc1,0,0.0,
+COc1ccc(C(CCc2ccc(C)o2)NC(=O)Nc2ccc(OC)cc2OC)cc1,0,0.0,
+COc1ccc(C(CNC(=O)C2CC(=O)N(Cc3ccc(C)cc3)C2)N(C)C)cc1,0,0.0,
+COc1ccc(C(CNC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(C(CNC(=O)COc2ccccc2C#N)N2CCOCC2)cc1,0,0.0,
+COc1ccc(C(CNC(=O)COc2ccccc2OC)N(C)C)cc1OC,0,0.0,
+COc1ccc(C(CNC(=O)Cc2cc(OC)c(OC)c(OC)c2)N2CCCC2)cc1,0,0.0,
+COc1ccc(C(CNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)N2CCCC2)cc1,0,0.0,
+COc1ccc(C(CNC(=O)c2cc(=O)[nH]c3ccccc23)N2CCCC2)cc1,0,0.0,
+COc1ccc(C(CNC(=O)c2cc(C)oc2C)N2CCOCC2)cc1,0,0.0,
+COc1ccc(C(CNC(=O)c2ccc(-n3cnnn3)cc2)N2CCOCC2)cc1,0,0.0,
+COc1ccc(C(CNC(=O)c2ccc(OCC3CCCO3)cc2)N2CCOCC2)cc1,0,0.0,
+COc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)N2CCCCC2)cc1,1,100.0,0.0
+COc1ccc(C(CNC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(C(CNC(=O)c2cccc(N(C)C)c2)N2CCCC2)cc1,0,0.0,
+COc1ccc(C(CNC(=O)c2cccnc2SC)N2CCOCC2)cc1,0,0.0,
+COc1ccc(C(F)(F)F)cc1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1,0,0.0,
+COc1ccc(C(N)=O)cc1N,0,0.0,
+COc1ccc(C(N)=O)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F,0,0.0,
+COc1ccc(C(N)=O)cc1NC(=O)c1cccc(F)c1,0,0.0,
+COc1ccc(C(N)CCc2ccc(C)o2)cc1,0,0.0,
+COc1ccc(C(N)CCc2ccco2)cc1,0,0.0,
+COc1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1,0,0.0,
+COc1ccc(C(NC(=O)CNC(C)=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+COc1ccc(C(NC(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(C(NC(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1OC,0,0.0,
+COc1ccc(C(NC(C)=O)c2ccc3cccnc3c2O)c(OC)c1,0,0.0,
+COc1ccc(C(NC(N)=O)c2ccccc2)cc1,0,0.0,
+COc1ccc(C(O)C(CC(=O)NCCCOC(C)C)C(=O)NCCCOC(C)C)cc1OC,0,0.0,
+COc1ccc(C(O)C(CN2CCOCC2)c2ccccc2)cc1,0,0.0,
+COc1ccc(C(O)C(CN2CCOCC2)c2ccccc2)cc1F,0,0.0,
+COc1ccc(C(O)CNc2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(C(O)Cc2nc3ccccc3n2C)cc1OC,0,0.0,
+COc1ccc(C(O)Cn2c(=N)n(CCCN(C)C)c3ccccc32)cc1,0,0.0,
+COc1ccc(C(O)P(=O)(O)CCc2ccccc2)cc1,0,0.0,
+COc1ccc(C(O)P(=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1OC,0,0.0,
+COc1ccc(C(O)c2coc3ccc(O)c(CN(C)C)c23)cc1,0,0.0,
+COc1ccc(C(O)c2nc3ccccc3n2C)cc1OC,0,0.0,
+COc1ccc(C(O)c2nc3ccccc3s2)cc1,0,0.0,
+COc1ccc(C(OC(=O)c2c(C)noc2C)C(=O)NC2CCCC2)cc1,0,0.0,
+COc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCCC2)cc1OC,0,0.0,
+COc1ccc(C(OC(=O)c2ccco2)C(=O)NCC2CCCO2)cc1,0,0.0,
+COc1ccc(C(OC(=O)c2ccco2)C(=O)NCc2ccco2)cc1,0,0.0,
+COc1ccc(C(c2c(O)ccc3ccccc23)N2CCOCC2)c(OC)c1,0,0.0,
+COc1ccc(C(c2nnnn2C(C)(C)C)N2CCN(C)CC2)cc1OC,0,0.0,
+COc1ccc(C(c2nnnn2C(C)(C)C)N2CCN(c3nc4ccccc4s3)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C(N)=O)CC2)c(OC)c1,0,0.0,
+COc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C)CC2)c(OC)c1,0,0.0,
+COc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1OC,0,0.0,
+COc1ccc(C(c2nnnn2C2CCCC2)N2CCc3ccccc3C2)cc1OC,0,0.0,
+COc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccc(OC)cc3)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccccc3F)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(c3cccc(C)c3C)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1OC,0,0.0,
+COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1OC,0,0.0,
+COc1ccc(C(c2nnnn2Cc2ccc(F)cc2)N2CCN(c3ccc(OC)cc3)CC2)cc1,1,100.0,0.0
+COc1ccc(C(c2nnnn2Cc2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1OC,0,0.0,
+COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2Cc2cccs2)N2CCC(C(N)=O)CC2)c(OC)c1,0,0.0,
+COc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1OC,0,0.0,
+COc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccccc3)CC2)cc1OC,0,0.0,
+COc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccccc3F)CC2)cc1,0,0.0,
+COc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccccc3F)CC2)cc1OC,0,0.0,
+COc1ccc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc1OC,0,0.0,
+COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCC(C(N)=O)CC2)cc1OC,0,0.0,
+COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCC(O)CC2)cc1OC,0,0.0,
+COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCC3(CC2)OCCO3)cc1,0,0.0,
+COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCCCC2)cc1,0,0.0,
+COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(CCO)CC2)cc1OC,0,0.0,
+COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(Cc3ccccc3)CC2)cc1OC,0,0.0,
+COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCc3ccccc3C2)cc1,0,0.0,
+COc1ccc(C(c2sc3ncnn3c2O)N2CC(C)OC(C)C2)cc1OC,0,0.0,
+COc1ccc(C(c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)cc1OC,0,0.0,
+COc1ccc(C)c(Cn2c(-c3nonc3N)nc3ccccc32)c1,0,0.0,
+COc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1,0,0.0,
+COc1ccc(C)c2sc(=NC(=O)C(C)C)n(C)c12,0,0.0,
+COc1ccc(C)c2sc(=NC(=O)c3ccc(C#N)cc3)n(C)c12,0,0.0,
+COc1ccc(C)c2sc(N3CCCC3)nc12,0,0.0,
+COc1ccc(C)cc1-n1c(-c2ccncc2)n[nH]c1=S,0,0.0,
+COc1ccc(C)cc1-n1c(N)c(C#N)c(C#N)c1-c1ccc(OC)c(OC)c1OC,0,0.0,
+COc1ccc(C)cc1-n1c(SCC(=O)Nc2cc(C)on2)nc2sc(C)c(C)c2c1=O,0,0.0,
+COc1ccc(C)cc1-n1nnnc1SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1,0,0.0,
+COc1ccc(C)cc1-n1nnnc1SCC(=O)N1CCC(C(=O)Nc2nccs2)CC1,0,0.0,
+COc1ccc(C)cc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1,0,0.0,
+COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(C)on1,0,0.0,
+COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(Cc2ccco2)c1C,0,0.0,
+COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+COc1ccc(C)cc1-n1nnnc1SCC1CCCCO1,0,0.0,
+COc1ccc(C)cc1-n1nnnc1SCc1cc(=O)n2cc(C)ccc2n1,0,0.0,
+COc1ccc(C)cc1-n1nnnc1SCc1cn2ccsc2n1,0,0.0,
+COc1ccc(C)cc1-n1nnnc1SCc1csc(C)n1,0,0.0,
+COc1ccc(C)cc1-n1nnnc1SCc1nc2ccccc2s1,0,0.0,
+COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O,0,0.0,
+COc1ccc(C)cc1C(=O)C1CC(C(=O)O)C(C)(C)C1C,0,0.0,
+COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+COc1ccc(C)cc1Cn1c(S(C)(=O)=O)nc2ccccc21,0,0.0,
+COc1ccc(C)cc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1,0,0.0,
+COc1ccc(C)cc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1,0,0.0,
+COc1ccc(C)cc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O,0,0.0,
+COc1ccc(C)cc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+COc1ccc(C)cc1NC(=O)C1C2C=CC(C2)C1C(=O)O,0,0.0,
+COc1ccc(C)cc1NC(=O)C1CC(=O)N(Cc2ccco2)C1,0,0.0,
+COc1ccc(C)cc1NC(=O)C1CC(=O)OC12CCCCC2,0,0.0,
+COc1ccc(C)cc1NC(=O)C1CCCCC1C(=O)O,0,0.0,
+COc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2/C=C/N(C)C)C1,0,0.0,
+COc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,0,0.0,
+COc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+COc1ccc(C)cc1NC(=O)C1CCCN1C(=O)OCc1ccccc1,0,0.0,
+COc1ccc(C)cc1NC(=O)C1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2,0,0.0,
+COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+COc1ccc(C)cc1NC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1,0,0.0,
+COc1ccc(C)cc1NC(=O)CCN1CCCC1,0,0.0,
+COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1cccs1,0,0.0,
+COc1ccc(C)cc1NC(=O)CN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1,0,0.0,
+COc1ccc(C)cc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O,0,0.0,
+COc1ccc(C)cc1NC(=O)CN(c1ccccc1)S(C)(=O)=O,0,0.0,
+COc1ccc(C)cc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O,0,0.0,
+COc1ccc(C)cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,0,0.0,
+COc1ccc(C)cc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2F)CC1,0,0.0,
+COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,0,0.0,
+COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1,0,0.0,
+COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+COc1ccc(C)cc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1,0,0.0,
+COc1ccc(C)cc1NC(=O)CN1CCN(c2ccccc2F)CC1,0,0.0,
+COc1ccc(C)cc1NC(=O)CNC(=O)Cn1ccc2ccccc2c1=O,0,0.0,
+COc1ccc(C)cc1NC(=O)COCC(=O)O,0,0.0,
+COc1ccc(C)cc1NC(=O)CSc1nc(SC)ns1,0,0.0,
+COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cc3cccc(OC)c3o2)n1N,0,0.0,
+COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1,0,0.0,
+COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1,0,0.0,
+COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N,0,0.0,
+COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1,0,0.0,
+COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,0,0.0,
+COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1Cc1ccco1,0,0.0,
+COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1,0,0.0,
+COc1ccc(C)cc1NC(=O)CSc1nnnn1Cc1ccccc1,0,0.0,
+COc1ccc(C)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O,0,0.0,
+COc1ccc(C)cc1NC(=O)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+COc1ccc(C)cc1NC(=O)NCCC1=CCCCC1,0,0.0,
+COc1ccc(C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C,0,0.0,
+COc1ccc(C)cc1NC(=O)c1cc2c(C)nc3ccccc3c2o1,0,0.0,
+COc1ccc(C)cc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=N,0,0.0,
+COc1ccc(C)cc1NC(=O)c1cc2cc3ccc(C)cc3nc2o1,0,0.0,
+COc1ccc(C)cc1NC(=O)c1cc2ccccc2o1,0,0.0,
+COc1ccc(C)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1,0,0.0,
+COc1ccc(C)cc1NC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1,0,0.0,
+COc1ccc(C)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(C)cc1NC(=O)c1ccc2c(c1)OCO2,0,0.0,
+COc1ccc(C)cc1NC(=O)c1ccoc1C,0,0.0,
+COc1ccc(C)cc1NC(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+COc1ccc(C)cc1NC(=O)c1cnc2scc(C)n2c1=O,0,0.0,
+COc1ccc(C)cc1NC(=O)c1cnc2sccn2c1=O,0,0.0,
+COc1ccc(C)cc1NC(=O)c1nc2nc(C)cc(C)n2n1,0,0.0,
+COc1ccc(C)cc1NC(=O)c1nnn(CCc2ccccc2)c1N,0,0.0,
+COc1ccc(C)cc1NC(=O)c1nnn(Cc2cc(C)ccc2C)c1N,0,0.0,
+COc1ccc(C)cc1NC(=O)c1nnn(Cc2cccc(F)c2)c1N,0,0.0,
+COc1ccc(C)cc1NCc1cccc(OC)c1OC,0,0.0,
+COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,0,0.0,
+COc1ccc(C)cc1NS(=O)(=O)c1cccc2nonc12,0,0.0,
+COc1ccc(C)cc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,0,0.0,
+COc1ccc(C)cc1Nc1cc(C)nc2nc(C)nn12,0,0.0,
+COc1ccc(C)cc1Nc1cc(C)nc2ncnn12,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCCCCC1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC1CCCCC1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCc1ccco1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(C)CC(N)=O,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccccc1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(C)cc1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(F)cc1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccccc1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N1CCC(C)CC1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N1CCCC(C(=O)NCC2CCCO2)C1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2OC)C(C)C1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)NC1CCCC1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)NC1CCCCC1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)NC1CCCCC1C,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)cc1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)Nc1cccc(SC)c1,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1C,0,0.0,
+COc1ccc(C)cc1S(=O)(=O)Nc1cccnc1,0,0.0,
+COc1ccc(C/C(N)=N/n2cnnc2)cc1Cl,0,0.0,
+COc1ccc(C/C(O)=C(\C#N)c2nc3ccccc3[nH]2)cc1OC,0,0.0,
+COc1ccc(C/C(O)=C(\C#N)c2nc3ccccc3s2)cc1,0,0.0,
+COc1ccc(C2(C(=O)N3CCCC3)CCOCC2)cc1OC,0,0.0,
+COc1ccc(C2(C(=O)N3CCOCC3)CCOCC2)cc1OC,0,0.0,
+COc1ccc(C2(C(=O)NC(C)C)CCCC2)cc1OC,0,0.0,
+COc1ccc(C2(C(=O)NCC3CCCO3)CCOCC2)cc1,0,0.0,
+COc1ccc(C2(C(=O)NCCCN(C)C)CCOCC2)cc1,0,0.0,
+COc1ccc(C2(C(=O)NCCCN3CCOCC3)CCOCC2)cc1,0,0.0,
+COc1ccc(C2(C(=O)NCCN3CCOCC3)CCOCC2)cc1,0,0.0,
+COc1ccc(C2(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CCCC2)cc1OC,0,0.0,
+COc1ccc(C2(C(=O)Nc3cc(C)on3)CCOCC2)cc1,0,0.0,
+COc1ccc(C2(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)CCOCC2)cc1,0,0.0,
+COc1ccc(C2(C(=O)Nc3ccc(C(=O)O)cc3)CCOCC2)cc1,0,0.0,
+COc1ccc(C2(C(=O)O)CCCC2)cc1,0,0.0,
+COc1ccc(C2(C(F)(F)F)NC(=O)N(C)C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2(C(N)=O)CCCCC2)cc1OC,0,0.0,
+COc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1OC,0,0.0,
+COc1ccc(C2(C)NC(=O)N(Cc3cc(Cl)cc4c3OCOC4)C2=O)cc1OC,0,0.0,
+COc1ccc(C2(CCN)CC(C)N(C)CC2C)cc1,0,0.0,
+COc1ccc(C2(CN(C(C)=O)C(C)=O)CCCC2)cc1OC,1,100.0,0.0
+COc1ccc(C2(CNC(=O)CCC(=O)O)CCCC2)cc1,0,0.0,
+COc1ccc(C2(CNC(=O)c3ccc(Br)o3)CCOCC2)cc1,0,0.0,
+COc1ccc(C2(CNC(C)=O)CCCC2)cc1OC,0,0.0,
+COc1ccc(C2(CNC(C)=O)CCOCC2)cc1OC,0,0.0,
+COc1ccc(C2(NC(C)=O)CCN(C(=O)CCC(=O)O)CC2)cc1,0,0.0,
+COc1ccc(C2(NC(C)=O)CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+COc1ccc(C2(O)CC3CCC(C2)N3c2cc(C)nc(-c3ccccc3)n2)cc1,0,0.0,
+COc1ccc(C2(O)CC3CCC(C2)N3c2nc(C)cc(C)c2C#N)cc1,0,0.0,
+COc1ccc(C2(O)CCN(C(=O)Cc3cccnc3)CC2)cc1,0,0.0,
+COc1ccc(C2(O)CCN(C(=O)NC3CCCCC3)CC2)cc1,0,0.0,
+COc1ccc(C2(O)CCN(C(=O)c3c(F)cccc3F)CC2)cc1,0,0.0,
+COc1ccc(C2(O)CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+COc1ccc(C2(O)CCN(CC(=O)Nc3nccs3)CC2)c(OC)c1,0,0.0,
+COc1ccc(C2(O)CCN(CCCCOc3ccccc3)CC2)cc1,1,100.0,1.0
+COc1ccc(C2(O)CCN(Cc3nnnn3Cc3ccc(C)cc3)CC2)cc1,0,0.0,
+COc1ccc(C2(O)CCN(Cc3nnnn3Cc3ccc(F)cc3)CC2)cc1,0,0.0,
+COc1ccc(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1,0,0.0,
+COc1ccc(C2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1,0,0.0,
+COc1ccc(C2/C(=C(/O)c3ccc4c(c3)CC(C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1,0,0.0,
+COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CC(C)O)c(OC)c1,0,0.0,
+COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1,0,0.0,
+COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCO)cc1,0,0.0,
+COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CO)cc1,0,0.0,
+COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ncccn2)cc1OC,0,0.0,
+COc1ccc(C2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)cc1OC,0,0.0,
+COc1ccc(C2/C(=C(\O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)cc1,0,0.0,
+COc1ccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c(OC)c1,0,0.0,
+COc1ccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)cc1,0,0.0,
+COc1ccc(C2=C(C)CC(C)(C)NC2=O)cc1OC,0,0.0,
+COc1ccc(C2=C(N)c3ccccc3C2=O)cc1,0,0.0,
+COc1ccc(C2=C(O)C(C)N(c3ccccc3)C2=N)cc1OC,0,0.0,
+COc1ccc(C2=C(c3ccc(OC)cc3)N3CCS(=O)(=O)N=C3S2)cc1,0,0.0,
+COc1ccc(C2=CC(=O)OC3(CCCCC3)O2)cc1,0,0.0,
+COc1ccc(C2=CC(c3c(C)nn(-c4ccccc4)c3Cl)n3nnnc3N2)cc1OC,0,0.0,
+COc1ccc(C2=CC(c3ccc(C)cc3)n3nnnc3N2)cc1,0,0.0,
+COc1ccc(C2=CC(c3ccc(Cl)cc3)n3cnnc3N2)cc1OC,0,0.0,
+COc1ccc(C2=CC(c3ccc(F)cc3)n3nnnc3N2)cc1,0,0.0,
+COc1ccc(C2=CC(c3ccc(OC)c(OC)c3)n3nnnc3N2)c(OC)c1,0,0.0,
+COc1ccc(C2=CC(c3cccc(OC)c3)n3nnnc3N2)cc1,0,0.0,
+COc1ccc(C2=CC(c3sccc3C)n3nnnc3N2)cc1,0,0.0,
+COc1ccc(C2=CSC3=NCCN23)cc1F,0,0.0,
+COc1ccc(C2=NCC(=O)N(CC(=O)NCc3ccco3)c3sc4c(c32)CCCC4)cc1,0,0.0,
+COc1ccc(C2=NCC(=O)N(CC(=O)NCc3ccco3)c3sc4c(c32)CCCC4)cc1OC,0,0.0,
+COc1ccc(C2=NCC(CSc3nccc(=O)[nH]3)S2)cc1,0,0.0,
+COc1ccc(C2=NCC(CSc3nnc(-c4ccc5c(c4)OCO5)o3)S2)cc1,0,0.0,
+COc1ccc(C2=NCC(CSc3nnnn3C)S2)cc1,0,0.0,
+COc1ccc(C2=NOC(C(=O)N3CCCCCC3)C2)cc1OC,0,0.0,
+COc1ccc(C2=NOC(C(=O)N3CCCc4ccccc43)C2)cc1,0,0.0,
+COc1ccc(C2=NOC(C(=O)N3CCN(c4ccccc4OC)CC3)C2)cc1,0,0.0,
+COc1ccc(C2=NOC(C(=O)N3CCOCC3)C2)cc1OC,0,0.0,
+COc1ccc(C2=NOC(C(=O)NC(C)(C)C)C2)cc1,0,0.0,
+COc1ccc(C2=NOC(C(=O)NC(C)C)C2)cc1,0,0.0,
+COc1ccc(C2=NOC(C(=O)NC3CCCCC3)C2)cc1OC,0,0.0,
+COc1ccc(C2=NOC(C(=O)NCC(C)C)C2)cc1,0,0.0,
+COc1ccc(C2=NOC(C(=O)NCCCN3CCOCC3)C2)cc1,0,0.0,
+COc1ccc(C2=NOC(C(=O)NCCN3CCOCC3)C2)cc1,0,0.0,
+COc1ccc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)cc1,0,0.0,
+COc1ccc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)cc1OC,0,0.0,
+COc1ccc(C2=NOC(C(=O)NCc3ccccc3)C2)cc1,0,0.0,
+COc1ccc(C2=NOC(C(=O)NCc3ccco3)C2)cc1OC,0,0.0,
+COc1ccc(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1OC,0,0.0,
+COc1ccc(C2=NOC(C(=O)Nc3cc(Br)ccc3O)C2)cc1OC,0,0.0,
+COc1ccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1OC,0,0.0,
+COc1ccc(C2=NOC(C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1OC,0,0.0,
+COc1ccc(C2=NOC(C(=O)Nc3ccc(C)cc3)C2)cc1OC,0,0.0,
+COc1ccc(C2=NOC(CN3C(=O)c4ccccc4S3(=O)=O)C2)cc1,0,0.0,
+COc1ccc(C2=NOC(COc3ccccc3NC(C)=O)C2)cc1OC,0,0.0,
+COc1ccc(C2=NOC(Cn3c(=O)cc(C)c4ccccc43)C2)c(OC)c1,0,0.0,
+COc1ccc(C2=NOC(Cn3c(=O)cc(C)c4ccccc43)C2)cc1,0,0.0,
+COc1ccc(C2=NOC(Cn3c(Cc4ccc(Cl)cc4)nc4c3c(=O)n(C)c(=O)n4C)C2)cc1,0,0.0,
+COc1ccc(C2=NOC3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)c(OC)c1,0,0.0,
+COc1ccc(C2=NO[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1OC,0,0.0,
+COc1ccc(C2=NO[C@@H]3C(=O)N(c4c(C)cccc4C)C(=O)[C@H]23)cc1OC,0,0.0,
+COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)cc1OC,0,0.0,
+COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]23)cc1OC,0,0.0,
+COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(C)c4C)C(=O)[C@H]23)cc1OC,1,100.0,
+COc1ccc(C2=Nn3c(nnc3-c3ccc(OC)cc3)SC2)cc1,0,0.0,
+COc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1OC,0,0.0,
+COc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1OC,0,0.0,
+COc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1,0,0.0,
+COc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1OC,0,0.0,
+COc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1,0,0.0,
+COc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1OC,0,0.0,
+COc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1,0,0.0,
+COc1ccc(C2C(=O)N(C(C)(C)C)CC(=O)N2c2ccccc2C)cc1,0,0.0,
+COc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCC2)cc1,0,0.0,
+COc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2CCc2ccccc2)cc1OC,0,0.0,
+COc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1,0,0.0,
+COc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccco2)cc1,0,0.0,
+COc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2Cc2ccccc2)cc1OC,0,0.0,
+COc1ccc(C2C(=O)N(CCc3ccccc3)CC(=O)N2C2CCCC2)cc1,0,0.0,
+COc1ccc(C2C(=O)c3ccccc3C2=O)c(OC)c1,0,0.0,
+COc1ccc(C2C(C#N)=C(/N=C/N3CCN(C)CC3)OC3=C2C(=O)CC(C)(C)C3)cc1,0,0.0,
+COc1ccc(C2C(C#N)=C(/N=C/N3CCN(C)CC3)OC3=C2C(=O)CC(C)(C)C3)cc1OC,0,0.0,
+COc1ccc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1,0,0.0,
+COc1ccc(C2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc1,0,0.0,
+COc1ccc(C2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1,0,0.0,
+COc1ccc(C2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)cc1OC,0,0.0,
+COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)C3)c(OC)c1OC,0,0.0,
+COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1OC,0,0.0,
+COc1ccc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c(OC)c1OC,0,0.0,
+COc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OC,0,0.0,
+COc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)cc1,0,0.0,
+COc1ccc(C2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OC,0,0.0,
+COc1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC,0,0.0,
+COc1ccc(C2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1,0,0.0,
+COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)c(OC)c1OC,0,0.0,
+COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCN(c2ccc(F)cc2)CC1,0,0.0,
+COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CSc1ccccn1,0,0.0,
+COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1Cn1nnc2ccccc21,0,0.0,
+COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OC,0,0.0,
+COc1ccc(C2C(C#N)=C(SC)NC3=C2C(=O)CC(C)(C)C3)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CC(C)CC(C)C3)c3ccccc3C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCC(C)CC3)c3ccccc3C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCC4(CC3)OCCO4)CC(=O)N2c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCC4(CC3)OCCO4)c3cc(OC)c(OC)cc3C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCCC3)CC(=O)N2c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)N3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCCCC3)c3ccccc3C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCN(C)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3C(=O)N2C)cc1OC,1,100.0,0.0
+COc1ccc(C2C(C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCN(c4ccccn4)CC3)CC(=O)N2c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,0,0.0,
+COc1ccc(C2C(C(=O)N3CCOCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCOCC3)CCC(=O)N2c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)N3CCOCC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1,1,100.0,0.0
+COc1ccc(C2C(C(=O)NC(C)C)c3ccccc3C(=O)N2C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)NCC3CCCO3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)NCCN(C)C)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)NCCN(C)C)c3ccccc3C(=O)N2C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)NCCN3CCOCC3)c3ccccc3C(=O)N2C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)NCCN3CCOCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)NCc3ccccn3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2C(C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)NCc3ccco3)CCC(=O)N2c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2C(C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)c(OC)c1OC,0,0.0,
+COc1ccc(C2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc(CCCO)nn32)cc1,0,0.0,
+COc1ccc(C2C(C(=O)Nc3cccc(C)n3)CCC(=O)N2c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)Nc3cccc(C)n3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N2C)cc1,0,0.0,
+COc1ccc(C2C(C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N2C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(CCCO)nn32)cc1,0,0.0,
+COc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc1,0,0.0,
+COc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)c(OC)c1,0,0.0,
+COc1ccc(C2C(C(=O)Nc3ccccn3)=C(C)Nc3ncnn32)c(OC)c1,0,0.0,
+COc1ccc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccco4)nn32)cc1,0,0.0,
+COc1ccc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4cccs4)nn32)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)O)CC(=O)N2C2CCCCC2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)O)c3ccccc3C(=O)N2C)cc1Br,0,0.0,
+COc1ccc(C2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)c(OC)c1OC,0,0.0,
+COc1ccc(C2C(C(=O)OCC(=O)N3CCCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN(C)C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nncs2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCn2ccnc2)cc1,0,0.0,
+COc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1,1,100.0,0.0
+COc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1OC,0,0.0,
+COc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1,0,0.0,
+COc1ccc(C2C(C(C)=O)=C(C)N=c3s/c(=C/c4ccc5c(c4)OCO5)c(=O)n32)cc1,0,0.0,
+COc1ccc(C2C(C(C)=O)=C(C)N=c3s/c(=C\c4cc(C)n(C)c4C)c(=O)n32)c(OC)c1,0,0.0,
+COc1ccc(C2C(C(C)=O)=C(C)N=c3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n32)c(OC)c1,0,0.0,
+COc1ccc(C2C(C(C)=O)=C(C)N=c3s/c(=C\c4ccco4)c(=O)n32)c(OC)c1,0,0.0,
+COc1ccc(C2C(C(C)=O)=C(C)Nc3ncnn32)cc1OC,0,0.0,
+COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2C)c(OC)c1,0,0.0,
+COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCCn2ccnc2)cc1OC,0,0.0,
+COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCN(C)C)cc1OC,0,0.0,
+COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCO)c(OC)c1,0,0.0,
+COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2ccccc2)c(OC)c1,0,0.0,
+COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2cccnc2)c(OC)c1,0,0.0,
+COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2nccs2)cc1OC,0,0.0,
+COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(-c4cccc(Cl)c4)nn32)cc1OC,0,0.0,
+COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(-c4ccccc4)nn32)cc1OC,0,0.0,
+COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(-c4ccccc4Cl)nn32)c(OC)c1,0,0.0,
+COc1ccc(C2C(C(N)=O)=C(C)Nc3nc(-c4ccccc4OC)nn32)cc1OC,0,0.0,
+COc1ccc(C2C(C(N)=O)=C(C)Nc3ncnn32)cc1,0,0.0,
+COc1ccc(C2C(CC(=O)O)=C(O)C(=O)N2c2ccccc2)cc1,0,0.0,
+COc1ccc(C2C/C(=N\O)C(C)(C)O2)cc1,0,0.0,
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1,0,0.0,
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1OC,0,0.0,
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c2nc(C)nn32)cc1,0,0.0,
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3n[nH]c(C)c32)cc1,0,0.0,
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn(CC(C)C)c(=N)c32)cc1,0,0.0,
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn(CCCn4ccnc4)c(=N)c32)cc1,0,0.0,
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn(CCO)c(=N)c32)cc1OC,0,0.0,
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn(Cc4ccco4)c(=N)c32)cc1,0,0.0,
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn4nc(-c5cccnc5)nc4c32)cc1,0,0.0,
+COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn4nc(-c5cccnc5)nc4c32)cc1OC,0,0.0,
+COc1ccc(C2C3=C(CC(c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1,0,0.0,
+COc1ccc(C2C3=C(CCCC3=O)Nc3nc(-c4cc(OC)c(OC)c(OC)c4)nn32)cc1OC,0,0.0,
+COc1ccc(C2C3=C(CCCC3=O)Nc3nc(C(F)(F)F)nn32)c(OC)c1OC,0,0.0,
+COc1ccc(C2C3=C(CCCC3=O)Nc3nc(C(F)(F)F)nn32)cc1OC,0,0.0,
+COc1ccc(C2C3=C(CCCC3=O)Nc3nc(SCc4ccc(C(=O)O)cc4)nn32)cc1OC,0,0.0,
+COc1ccc(C2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4)nn32)cc1OC,0,0.0,
+COc1ccc(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)c(OC)c1OC,0,0.0,
+COc1ccc(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)cc1OC,0,0.0,
+COc1ccc(C2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1,0,0.0,
+COc1ccc(C2C3=C(Nc4ncnn42)c2ccccc2CC3)cc1OC,0,0.0,
+COc1ccc(C2C3=C(Nc4ncnn42)c2ccccc2CCC3)cc1,0,0.0,
+COc1ccc(C2C3=C(OC(C)=O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+COc1ccc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3ON2c2ccccc2)c(OC)c1OC,1,100.0,0.0
+COc1ccc(C2C=C(C)Nc3nc(SC)nn32)cc1,0,0.0,
+COc1ccc(C2C=C(c3ccc(Br)cc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1,0,0.0,
+COc1ccc(C2C=C(c3ccc(Br)s3)Nc3ncnn32)cc1OC,0,0.0,
+COc1ccc(C2C=C(c3ccc(C)c(C)c3)Nc3ncnn32)c(OC)c1OC,0,0.0,
+COc1ccc(C2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1,0,0.0,
+COc1ccc(C2C=C(c3ccc(Cl)cc3)Nc3nc(NC(C)=O)nn32)cc1,0,0.0,
+COc1ccc(C2C=C(c3ccccc3)Nc3nc(CCCO)nn32)cc1,0,0.0,
+COc1ccc(C2C=C(c3ccccc3)Nc3ncnn32)cc1,0,0.0,
+COc1ccc(C2C=C(c3ccccc3)Nc3nnnn32)cc1,0,0.0,
+COc1ccc(C2C=C(c3cccs3)Nc3nc(CCCO)nn32)cc1,1,100.0,
+COc1ccc(C2CC(=O)C(C=NCCCN3CCOCC3)=C(O)C2)cc1,0,0.0,
+COc1ccc(C2CC(=O)C(C=NCCN3CCN(C(C)=O)CC3)=C(O)C2)cc1OC,0,0.0,
+COc1ccc(C2CC(=O)C(C=NCCN3CCNCC3)=C(O)C2)cc1OC,0,0.0,
+COc1ccc(C2CC(=O)C(C=NCCN3CCOCC3)=C(O)C2)cc1,0,0.0,
+COc1ccc(C2CC(=O)C(C=NCCO)=C(O)C2)cc1OC,0,0.0,
+COc1ccc(C2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)C3c2cccnc2)cc1OC,0,0.0,
+COc1ccc(C2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)C3c2ccco2)cc1,0,0.0,
+COc1ccc(C2CC(=O)C3=C(C2)Nc2ncnn2C3c2ccccc2)cc1,0,0.0,
+COc1ccc(C2CC(=O)C3=C(C2)Nc2ncnn2C3c2ccccc2C)c(OC)c1,0,0.0,
+COc1ccc(C2CC(=O)C3=C(C2)Nc2ncnn2C3c2ccccc2C)cc1,0,0.0,
+COc1ccc(C2CC(=O)C=C(NCC3CCCO3)C2)cc1,0,0.0,
+COc1ccc(C2CC(=O)N3C(=C2C#N)SCC3(O)c2ccccc2)cc1,0,0.0,
+COc1ccc(C2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1,0,0.0,
+COc1ccc(C2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1,0,0.0,
+COc1ccc(C2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1OC,0,0.0,
+COc1ccc(C2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1OC,0,0.0,
+COc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1Cl,0,0.0,
+COc1ccc(C2CC(=O)Nc3ccccc3S2(=O)=O)cc1OC,0,0.0,
+COc1ccc(C2CC(=O)c3c(C)nc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc1OC,0,0.0,
+COc1ccc(C2CC(=O)c3c(C)nc(N4CCN(c5ccccc5)CC4)nc3C2)cc1,0,0.0,
+COc1ccc(C2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)cc1OC,0,0.0,
+COc1ccc(C2CC(=O)c3cnc(N)nc3C2)c(OC)c1,0,0.0,
+COc1ccc(C2CC(=O)c3cnc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc1,0,0.0,
+COc1ccc(C2CC(=O)c3cnc(NC(=O)c4cc(OC)cc(OC)c4)nc3C2)cc1,0,0.0,
+COc1ccc(C2CC(=O)c3cnc(NC(=O)c4cccc(OC)c4)nc3C2)cc1,0,0.0,
+COc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)c(OC)c1,0,0.0,
+COc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1OC,0,0.0,
+COc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccccc4OC)nc3C2)c(OC)c1,0,0.0,
+COc1ccc(C2CC(=O)c3sc(N)nc3C2)cc1,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)Cc4cn(C)nc4C)c(Cl)c3N2)cc1,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)cc1OC,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)cc3N2)cc1,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCc4c(C)nn(C)c4C)c(Cl)c3N2)cc1,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCc4cn(C)nc4C)c(Cl)c3N2)cc1,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)cc3N2)cc1,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)O)c(Cl)c3N2)cc1OC,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)O)cc3N2)cc1OC,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3nc(C(N)=O)c(Cl)c3N2)cc1OC,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3nc(CO)c(Cl)c3N2)cc1OC,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3N2)cc1OC,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)NCc4cccnc4)c3N2)cc1OC,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3N2)cc1OC,0,0.0,
+COc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)O)c3N2)cc1OC,1,100.0,0.0
+COc1ccc(C2CC(O)(C(C)(C)O)NO2)cc1,0,0.0,
+COc1ccc(C2CC(c3c(Cl)cccc3Cl)n3nc(N)nc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3c(O)cc(C)oc3=O)=NCCS2)c(OC)c1,0,0.0,
+COc1ccc(C2CC(c3cc(Br)ccc3F)n3nnnc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3cc(OC)ccc3OC)n3nnnc3N2)cc1,1,100.0,0.0
+COc1ccc(C2CC(c3ccc(Br)cc3)Nc3nc(N)nn32)cc1,0,0.0,
+COc1ccc(C2CC(c3ccc(C)cc3)Nc3nc(N)nn32)cc1,0,0.0,
+COc1ccc(C2CC(c3ccc(C)cc3)Nc3ncnn32)cc1,0,0.0,
+COc1ccc(C2CC(c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1,0,0.0,
+COc1ccc(C2CC(c3ccc(Cl)cc3)Nc3nc(NC(=O)c4ccco4)nn32)cc1,0,0.0,
+COc1ccc(C2CC(c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3ccc(Cl)cc3Cl)Nc3nc(N)nn32)cc1,0,0.0,
+COc1ccc(C2CC(c3ccc(Cl)cc3Cl)Nc3nc(N)nn32)cc1OC,0,0.0,
+COc1ccc(C2CC(c3ccc(Cl)cc3Cl)n3nc(N)nc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1,0,0.0,
+COc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1OC,0,0.0,
+COc1ccc(C2CC(c3ccc(OC)cc3)n3nc(N)nc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3ccc(OC)cc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3cccc(C)c3)n3ncnc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3cccc(Cl)c3)n3nc(N)nc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3cccc(OC)c3)n3nc(N)nc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3cccc(OC)c3OC)n3nnnc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3ccccc3)Nc3nc(N)nn32)cc1,0,0.0,
+COc1ccc(C2CC(c3ccccc3)Nc3nc(NC(=O)c4ccco4)nn32)cc1,0,0.0,
+COc1ccc(C2CC(c3ccccc3)Nc3nc(NC(=O)c4cccs4)nn32)cc1,0,0.0,
+COc1ccc(C2CC(c3ccccc3)Nc3ncnn32)cc1,0,0.0,
+COc1ccc(C2CC(c3ccccc3)n3nc(NC(=O)c4cccs4)nc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3ccccc3C)n3nc(N)nc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3ccccc3Cl)Nc3ncnn32)cc1OC,0,0.0,
+COc1ccc(C2CC(c3ccco3)n3ncnc3N2)cc1,0,0.0,
+COc1ccc(C2CC(c3cccs3)n3nc(N)nc3N2)cc1,0,0.0,
+COc1ccc(C2CC3(CC(C)(C)NC(=O)N3)Oc3cc(O)ccc32)cc1,0,0.0,
+COc1ccc(C2CC3CC(c4ccccc4)N2O3)cc1,0,0.0,
+COc1ccc(C2CCCN2C(=O)Nc2ccc(F)cc2)cc1OC,0,0.0,
+COc1ccc(C2CCCN2C(=O)Nc2cccc(C(C)=O)c2)cc1OC,1,100.0,0.0
+COc1ccc(C2CCCN2C(=O)c2cccs2)cc1,0,0.0,
+COc1ccc(C2CCN(Cc3cccnc3)CC2O)cc1,0,0.0,
+COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1,0,0.0,
+COc1ccc(C2N(C(=O)CN3CCOCC3)CCN2S(=O)(=O)c2ccccc2)cc1,0,0.0,
+COc1ccc(C2N(C(=O)c3ccccc3)CCN2C(=O)c2ccccc2)cc1,0,0.0,
+COc1ccc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1OC,0,0.0,
+COc1ccc(C2N(c3cc(Cl)ccc3OC)C(=O)C3CCCN32)c(OC)c1,0,0.0,
+COc1ccc(C2N(c3cc(Cl)ccc3OC)C(=O)C3CCCN32)cc1,0,0.0,
+COc1ccc(C2N(c3cc(Cl)ccc3OC)C(=O)C3CCCN32)cc1OC,0,0.0,
+COc1ccc(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)cc1,0,0.0,
+COc1ccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc1,0,0.0,
+COc1ccc(C2N(c3ccc(OC)cc3)C(=O)C3CCCN32)cc1,0,0.0,
+COc1ccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)cc1,0,0.0,
+COc1ccc(C2N(c3ccccn3)C(=O)C3CCCN32)c(OC)c1,0,0.0,
+COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)cc1OC,0,0.0,
+COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4=O)cc1OC,0,0.0,
+COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1,0,0.0,
+COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1OC,0,0.0,
+COc1ccc(C2N=C(N)N=C(N)N2c2ccccc2)cc1OC,0,0.0,
+COc1ccc(C2N=C(Nc3ccc(C)cc3)Nc3nc(C)cc(=O)n32)cc1,0,0.0,
+COc1ccc(C2N=C(c3ccccc3)C(C)(C)N2O)cc1OC,0,0.0,
+COc1ccc(C2NC(=O)CS2)cc1OC,0,0.0,
+COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc1OC,0,0.0,
+COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1,0,0.0,
+COc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccc(C)cc2)cc1,1,100.0,1.0
+COc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(C2NC(=O)NC3=C2CCc2ccccc23)cc1,0,0.0,
+COc1ccc(C2NC(=O)c3ccccc3O2)c(OC)c1OC,0,0.0,
+COc1ccc(C2NC(=O)c3n[nH]c(C)c32)c(OC)c1,0,0.0,
+COc1ccc(C2NC(C(=O)O)CS2)cc1COCC(F)(F)F,0,0.0,
+COc1ccc(C2NC(c3ccc(OC)c(OC)c3OC)C(C)C(=O)C2C)c(OC)c1OC,0,0.0,
+COc1ccc(C2NC3=C(CCC3)C3(C#N)C(OC)(OC)N=C(N)C23C#N)cc1,0,0.0,
+COc1ccc(C2NC3=C(CCC3)C3(C#N)C4(N=C(N)C23C#N)OCCO4)cc1,0,0.0,
+COc1ccc(C2NC3=C(CCCC3)C(C#N)(C#N)C2(C#N)C#N)cc1,0,0.0,
+COc1ccc(C2NCCC3(O)CCCCC23)c(OC)c1OC,0,0.0,
+COc1ccc(C2NCCO2)cc1OC,0,0.0,
+COc1ccc(C2NCCc3cc(OC)c(OC)cc32)cc1OC,0,0.0,
+COc1ccc(C2NCc3ccc4c(c3-n3cccc32)OCO4)cc1O,1,100.0,1.0
+COc1ccc(C2NCc3ccc4c(c3-n3cccc32)OCO4)cc1OC,1,100.0,1.0
+COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1CN1C(=O)c2ccccc2C1=O,0,0.0,
+COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1ccc(NC(C)=O)cc1,0,0.0,
+COc1ccc(C2Nc3ccccc3C(=O)N2O)cc1OC,0,0.0,
+COc1ccc(C2OC(=O)CC2C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1OC,0,0.0,
+COc1ccc(C2OC(=O)CC2C(=O)NC(C)C)cc1,0,0.0,
+COc1ccc(C2OC(=O)CC2C(=O)NC2CCCCCC2)cc1OC,0,0.0,
+COc1ccc(C2OC(=O)c3ccccc3S2)cc1,0,0.0,
+COc1ccc(C2Oc3ccccc3N2C(C)=O)cc1,0,0.0,
+COc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1,0,0.0,
+COc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0.0,
+COc1ccc(C2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cc1,0,0.0,
+COc1ccc(C2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1,0,0.0,
+COc1ccc(C2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1OC,0,0.0,
+COc1ccc(C2SCC(C(=O)O)N2C(C)=O)cc1OC,0,0.0,
+COc1ccc(C2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC,0,0.0,
+COc1ccc(C2SCCN2S(=O)(=O)c2ccccc2)cc1OC,0,0.0,
+COc1ccc(C2Sc3nncn3N2Cc2ccc(C#N)cc2)cc1,0,0.0,
+COc1ccc(C2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC,0,0.0,
+COc1ccc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(C2c3c(n[nH]c3C)CC(C)(O)C2C(C)=O)cc1OC,0,0.0,
+COc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1OC,0,0.0,
+COc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1OC,0,0.0,
+COc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC,0,0.0,
+COc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1OC,0,0.0,
+COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CC2CCCO2)cc1,0,0.0,
+COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,0,0.0,
+COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1OC,0,0.0,
+COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1OC,0,0.0,
+COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC,0,0.0,
+COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1,0,0.0,
+COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OC,0,0.0,
+COc1ccc(C2c3sc(=O)[nH]c3SC3C(=O)N(c4ccccc4)C(=O)C32)cc1,0,0.0,
+COc1ccc(C2c3sc(=O)[nH]c3SC3C4CCC(C4)C23)cc1,0,0.0,
+COc1ccc(C=NCCC2(O)CC(C)N(C)CC2C)cc1,0,0.0,
+COc1ccc(C=NCCCN2CCOCC2)cc1,0,0.0,
+COc1ccc(CC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(C)C)cc1,0,0.0,
+COc1ccc(CC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1,0,0.0,
+COc1ccc(CC(=O)N2CC3(C)CC2CC(C)(C)C3)cc1OC,0,0.0,
+COc1ccc(CC(=O)N2CCCc3ccccc32)cc1OC,0,0.0,
+COc1ccc(CC(=O)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc1,0,0.0,
+COc1ccc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+COc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1,0,0.0,
+COc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1OC,0,0.0,
+COc1ccc(CC(=O)N2CCN=C2SC)cc1,0,0.0,
+COc1ccc(CC(=O)N2CCNC2=O)cc1,0,0.0,
+COc1ccc(CC(=O)N2CCOCC2)cc1OC,0,0.0,
+COc1ccc(CC(=O)NC(C)c2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1,0,0.0,
+COc1ccc(CC(=O)NC(C)c2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)cc1,0,0.0,
+COc1ccc(CC(=O)NC(CC(=O)O)c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(CC(=O)NC2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1OC,0,0.0,
+COc1ccc(CC(=O)NC2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1OC,0,0.0,
+COc1ccc(CC(=O)NC2CCN(Cc3nnnn3C(C)(C)C)CC2)cc1OC,0,0.0,
+COc1ccc(CC(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(CC(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(CC(=O)NCc2ccccn2)cc1OC,0,0.0,
+COc1ccc(CC(=O)NCc2cccs2)cc1,0,0.0,
+COc1ccc(CC(=O)NCc2cn3ccsc3n2)cc1,0,0.0,
+COc1ccc(CC(=O)NCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)cc1,0,0.0,
+COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)cc1,0,0.0,
+COc1ccc(CC(=O)NCc2nnc(SCCOc3ccccc3)n2C)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)(=O)C3)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S+]([O-])C3)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S+]([O-])C3)cc1OC,0,0.0,
+COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S+]([O-])C3)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2C)C[S+]([O-])C3)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2c3c(nn2C(C)(C)C)C[S+]([O-])C3)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2cc(C)ccn2)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2cc(C)on2)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2cc(Cl)ccc2O)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1OC,0,0.0,
+COc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1OC,0,0.0,
+COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cc(OC)c(OC)c(OC)c4)n3)cc2)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cccc(OC)c4)n3)cc2)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2ccc(-c3noc(COc4ccccc4C)n3)cc2)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2ccc(N3CCN(c4ccc(OC)cc4)CC3)c(C#N)c2)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2ccc(OC)c(NC(=O)c3ccco3)c2)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)cc1OC,0,0.0,
+COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)cc1OC,1,100.0,
+COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1OC,0,0.0,
+COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2cccc(C(=O)O)c2C)cc1,0,0.0,
+COc1ccc(CC(=O)Nc2nc(C)cs2)cc1OC,0,0.0,
+COc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccc(CC(=O)Nc2nc3n(n2)C(c2ccccc2)CC(=O)N3)cc1OC,0,0.0,
+COc1ccc(CC(=O)Nc2nncs2)cc1OC,0,0.0,
+COc1ccc(CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC,0,0.0,
+COc1ccc(CC(=O)OC(C)CN2CCCC2)cc1,0,0.0,
+COc1ccc(CC(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1,0,0.0,
+COc1ccc(CC(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0.0,
+COc1ccc(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1,0,0.0,
+COc1ccc(CC(=O)OCN2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+COc1ccc(CC(=O)OCc2cc3ccc(C)cc3[nH]c2=O)cc1,0,0.0,
+COc1ccc(CC(=O)OCc2cc3cccc(C)c3[nH]c2=O)cc1,0,0.0,
+COc1ccc(CC(=O)OCc2cc3ccccc3[nH]c2=O)cc1,0,0.0,
+COc1ccc(CC(=O)OCc2nnc(C3COc4ccccc4O3)o2)cc1OC,0,0.0,
+COc1ccc(CC(=O)OCn2nnc3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(CC(=O)c2cc(OC)c(OC)cc2CC(=O)O)cc1OC,0,0.0,
+COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC,0,0.0,
+COc1ccc(CC(=O)c2ccccc2C(=O)O)cc1,0,0.0,
+COc1ccc(CC(=O)n2c(CC#N)nc3ccccc32)cc1OC,0,0.0,
+COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccco2)cc1,0,0.0,
+COc1ccc(CC(=O)n2nc(-c3cccnc3)nc2N)cc1,0,0.0,
+COc1ccc(CC(C(=O)Nc2cc(C)ccc2C)/C(N)=N/O)cc1,0,0.0,
+COc1ccc(CC(C(=O)Nc2cccc(F)c2)c2nn[nH]n2)c(OC)c1,0,0.0,
+COc1ccc(CC(C)N2CCN(Cc3ccccc3)CC2)c(OC)c1,0,0.0,
+COc1ccc(CC(C)N2CCN(c3ccccc3OC)CC2)cc1OC,0,0.0,
+COc1ccc(CC(CC(=O)O)C(=O)Nc2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(CC(CC(=O)O)C(=O)Nc2ccccc2)cc1,0,0.0,
+COc1ccc(CC(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1,0,0.0,
+COc1ccc(CC(NC(C)=O)C(=O)N2CCN(C(=O)N(C(C)C)C(C)C)CC2)cc1,0,0.0,
+COc1ccc(CC(NC(C)=O)C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC,0,0.0,
+COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)NCc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)NCc3ccccc3)CC2)cc1OC,0,0.0,
+COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cc1OC,0,0.0,
+COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC,0,0.0,
+COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1,0,0.0,
+COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)c(OC)c1,0,0.0,
+COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(CC/C(=N\O)C2(O)CCCCC2)cc1,0,0.0,
+COc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1,1,100.0,
+COc1ccc(CC2C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1,0,0.0,
+COc1ccc(CC2C(=O)NC(=O)NC2=O)c(OC)c1,0,0.0,
+COc1ccc(CC2C(=O)OC(C)(C)OC2=O)cc1,0,0.0,
+COc1ccc(CC2CCOC2=O)cc1,0,0.0,
+COc1ccc(CC2NCCC3(O)CCCCC23)cc1,0,0.0,
+COc1ccc(CC2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1,0,0.0,
+COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1OC,0,0.0,
+COc1ccc(CCC(=O)N2CC(C)OC(C)C2)cc1,0,0.0,
+COc1ccc(CCC(=O)N2CCC3(CC2)OCCO3)cc1,0,0.0,
+COc1ccc(CCC(=O)N2CCN(C3CCCCC3)CC2)cc1,0,0.0,
+COc1ccc(CCC(=O)N2CCc3ccccc32)cc1,0,0.0,
+COc1ccc(CCC(=O)NC2=NCCS2)cc1OC,0,0.0,
+COc1ccc(CCC(=O)NCCc2cn3c(C)csc3n2)cc1,0,0.0,
+COc1ccc(CCC(=O)NCc2ccco2)cc1,0,0.0,
+COc1ccc(CCC(=O)NCc2cn3ccsc3n2)cc1,0,0.0,
+COc1ccc(CCC(=O)NCc2cnn(C)c2)cc1,0,0.0,
+COc1ccc(CCC(=O)Nc2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)cc1,0,0.0,
+COc1ccc(CCC(=O)Nc2ccc(Br)cn2)cc1,0,0.0,
+COc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+COc1ccc(CCC(=O)Nc2nc3c(s2)CN(C)CC3)cc1OC,0,0.0,
+COc1ccc(CCC(C(O)C(F)(F)F)[S+]([O-])c2ccccc2)cc1,0,0.0,
+COc1ccc(CCC2(C)NC(=O)NC2=O)cc1,0,0.0,
+COc1ccc(CCCNC(=O)CC#N)cc1OC,0,0.0,
+COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(C)c(C)cc3Br)o2)cc1,0,0.0,
+COc1ccc(CCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1,0,0.0,
+COc1ccc(CCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1C,0,0.0,
+COc1ccc(CCCc2nnc(SCC(=O)Nc3ncc(C)s3)o2)cc1,0,0.0,
+COc1ccc(CCCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1C,0,0.0,
+COc1ccc(CCN(C(=O)c2ccc(F)cc2)C2=CC3CCC(C2)N3C)cc1OC,0,0.0,
+COc1ccc(CCN(C(=O)c2ccccc2)C2=CC3CCC(C2)N3C)cc1OC,0,0.0,
+COc1ccc(CCN(C)C(=O)C2CCCN(Cc3ccc(OC)c(OC)c3)C2)cc1OC,0,0.0,
+COc1ccc(CCN(C)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC,0,0.0,
+COc1ccc(CCN(C)C(=O)CSc2nccn2C)cc1OC,0,0.0,
+COc1ccc(CCN(C)C(=O)N2CCOCC2)cc1OC,0,0.0,
+COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC,0,0.0,
+COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,0,0.0,
+COc1ccc(CCN(C)CCN2C(=O)c3ccccc3C2=O)cc1OC,0,0.0,
+COc1ccc(CCN(C)Cc2c(F)cccc2F)cc1OC,0,0.0,
+COc1ccc(CCN(C)Cc2ccncc2)cc1OC,0,0.0,
+COc1ccc(CCN(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)cc1OC,0,0.0,
+COc1ccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCCC2)cc1OC,0,0.0,
+COc1ccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(C)=O)cc1OC,0,0.0,
+COc1ccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N2CCCC2)cc1OC,0,0.0,
+COc1ccc(CCN(Cc2cccs2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC,0,0.0,
+COc1ccc(CCN(Cc2nc(-c3ccccc3)no2)Cc2nc(-c3ccccc3)no2)cc1OC,0,0.0,
+COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1,0,0.0,
+COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1OC,0,0.0,
+COc1ccc(CCN/C=C2/CC(=O)NC2=O)cc1OC,0,0.0,
+COc1ccc(CCN2C(=NC(=O)CCC(=O)O)SC3CS(=O)(=O)CC32)cc1OC,0,0.0,
+COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccs2)cc1OC,0,0.0,
+COc1ccc(CCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1OC,0,0.0,
+COc1ccc(CCN2C(=O)CC(C(N)=O)SC2=Nc2ccccc2)cc1OC,0,0.0,
+COc1ccc(CCN2C(=O)CC(N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1,0,0.0,
+COc1ccc(CCN2C(=O)CC(N3CCN(c4ccccn4)CC3)C2=O)cc1OC,0,0.0,
+COc1ccc(CCN2C(=O)CC(N3CCOCC3)C2=O)cc1,0,0.0,
+COc1ccc(CCN2C(=O)CC(NCc3ccc4c(c3)OCO4)C2=O)cc1OC,0,0.0,
+COc1ccc(CCN2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)cc1OC,0,0.0,
+COc1ccc(CCN2C(=O)CC(Sc3ncccc3C(=O)O)C2=O)cc1OC,1,100.0,0.0
+COc1ccc(CCN2C(=O)CCC2(C)C(=O)NCc2cccnc2)cc1OC,0,0.0,
+COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3C2c2ccc(C)cc2)cc1OC,0,0.0,
+COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3C2c2cccc(O)c2)cc1OC,0,0.0,
+COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3C2c2ccccc2)cc1OC,0,0.0,
+COc1ccc(CCN2C(=O)c3ccccc3C2(O)c2ncc[nH]2)cc1OC,0,0.0,
+COc1ccc(CCN2C(=O)c3cccnc3C2=O)cc1OC,0,0.0,
+COc1ccc(CCN2CC(C#N)=C3c4cc(OC)c(OC)cc4CCN3C2)cc1OC,0,0.0,
+COc1ccc(CCN2CC(C(=O)O)CC2=O)cc1,0,0.0,
+COc1ccc(CCN2CC(O)=C(c3nc4ccccc4c(=O)[nH]3)C2=N)cc1OC,0,0.0,
+COc1ccc(CCN2CC34C=CC(O3)C(C(=O)NCc3ccccc3)C4C2=O)cc1OC,0,0.0,
+COc1ccc(CCN2CC3=C(C2=O)C(c2ccccc2)NC(=O)N3C)cc1OC,0,0.0,
+COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,1,100.0,1.0
+COc1ccc(CCN2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1OC,0,0.0,
+COc1ccc(CCN2CNc3c(c(=O)n(C)c(=O)n3C)C2)cc1,0,0.0,
+COc1ccc(CCN2CNc3c(c(=O)n(C)c(=O)n3C)C2)cc1OC,0,0.0,
+COc1ccc(CCN=CC2=C(O)CCCC2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C(C)OC(=O)c2ccco2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2(C)CCC(=O)N2CCC(C)C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2(C)CCC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2=COCCO2)cc1,0,0.0,
+COc1ccc(CCNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCC(CNc3c(N4CCCC4)c(=O)c3=O)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCCN(C(=O)N(C)C)C2)c(OC)c1,0,0.0,
+COc1ccc(CCNC(=O)C2CCCN(Cc3nc(-c4cccc(Cl)c4)oc3C)C2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCCN(Cc3nc(-c4ccccc4C)oc3C)C2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCCN(S(C)(=O)=O)C2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCCN(c3nn4c(=O)cc(C)nc4s3)C2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCCN2C(=O)Nc2cccc(C(C)=O)c2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4ccccc4F)oc3C)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CC(C)CC(C)C3)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CC(NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(C)C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CC2COc3ccccc3O2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CC2Nc3cc(C)c(C)cc3NC2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CC2Nc3ccccc3NC2=O)cc1,0,0.0,
+COc1ccc(CCNC(=O)CC2Nc3ccccc3NC2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CC2Oc3ccc(Cl)cc3NC2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCCn2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCCn2c(SCC#N)nc3ccccc3c2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCN2C(=O)C(C)Oc3ccc(C)cc32)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCN2C(=O)C3CC=CCC3C2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCN2C(=O)COc3ccc(C)cc32)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCN2C(=O)COc3ccccc32)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccc3nsnc23)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCS(=O)(=O)c2cccc3nsnc23)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1,0,0.0,
+COc1ccc(CCNC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCn2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1,0,0.0,
+COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCn2c(SCC#N)nc3ccccc3c2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CCn2cccc2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1,0,0.0,
+COc1ccc(CCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1,0,0.0,
+COc1ccc(CCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1,0,0.0,
+COc1ccc(CCNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1,0,0.0,
+COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CN2CCC(C(N)=O)CC2)cc1,0,0.0,
+COc1ccc(CCNC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CN2CCCc3ccccc32)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CN2CCOc3ccccc32)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CNCC2CCCO2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)COC(=O)c2ccco2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)COC(=O)c2cnc(C)cn2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)COC(=O)c2cnccn2)cc1,0,0.0,
+COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,0,0.0,
+COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)COc2nsnc2N2CCOCC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)C[S+]([O-])Cc2nc(-c3cccs3)oc2C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=NC(C(C)C)C(=O)N23)cc1OC,1,100.0,0.0
+COc1ccc(CCNC(=O)CSCc2n[nH]c(=O)[nH]2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2cc(=O)[nH]c(N)n2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1,0,0.0,
+COc1ccc(CCNC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nc(C)nc3c2oc2ccccc23)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nc(N)c3c(C)c(C)oc3n2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nc(O)c(CC(C)C)c(=O)[nH]2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2ncnc3c2oc2ccccc23)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnc(-c3cccc(F)c3)o2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnc(-c3ccccc3)o2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnc(Cc3csc(N)n3)n2C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nncn2N)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2)cc1,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2OC)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)CSc2nnnn2Cc2ccc3c(c2)OCO3)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)Cc2cc(=O)[nH]c(=O)[nH]2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)Cn2c(=O)cnc3ccccc32)cc1,0,0.0,
+COc1ccc(CCNC(=O)Cn2c(=O)oc3ccccc32)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)Cn2cnc3c(nnn3Cc3ccccc3F)c2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)Cn2nnc(-c3cccc(OC)c3OC)n2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)Cn2nnc(-c3cccs3)n2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)NC(C(F)(F)F)C(F)(F)F)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)NC2CCCCC2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2c(-c3ccccc3)noc2C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1,0,0.0,
+COc1ccc(CCNC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1,0,0.0,
+COc1ccc(CCNC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)cc1,0,0.0,
+COc1ccc(CCNC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2c[nH]c3ccccc3c2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cc(-c3ccccc3)on2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cc(-c3ccccc3OC)on2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cc(-c3cccs3)on2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cc(C(C)C)on2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccncc3)c2=N)cc1,0,0.0,
+COc1ccc(CCNC(=O)c2cc3ccccn3n2)c(OC)c1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cc3sc(Cl)cc3n2C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2ccc(=O)[nH]n2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1,0,0.0,
+COc1ccc(CCNC(=O)c2ccc(CNc3c(N4CCOCC4)c(=O)c3=O)cc2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccco2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2ccco2)cc1,0,0.0,
+COc1ccc(CCNC(=O)c2ccn[nH]2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2ccncc2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cnc3n(c2=O)CCS3)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cnc3scc(C)n3c2=O)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cnccn2)cc1,0,0.0,
+COc1ccc(CCNC(=O)c2cnn(-c3ccc(C)c(C)c3)c2NC(=O)c2ccco2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cnn3ccccc23)c(OC)c1OC,0,0.0,
+COc1ccc(CCNC(=O)c2cnn3cccnc23)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2nc3ncccn3n2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2nn(C)cc2Cl)cc1,0,0.0,
+COc1ccc(CCNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2nnn(-c3ccccc3OC)c2N)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3ccccc3C)c2N)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2noc3c2CCCC3)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)cc1OC,0,0.0,
+COc1ccc(CCNC(=O)c2sc(=S)n(C)c2N)cc1,0,0.0,
+COc1ccc(CCNC2=NCC(C)S2)cc1,0,0.0,
+COc1ccc(CCNC2=NCCS2)cc1,0,0.0,
+COc1ccc(CCNC2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC,0,0.0,
+COc1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1OC,0,0.0,
+COc1ccc(CCNC2CC(C)N(C)CC2C)cc1OC,0,0.0,
+COc1ccc(CCNC2CCN(C)CC2)cc1OC,0,0.0,
+COc1ccc(CCNCc2ccccn2)cc1OC,0,0.0,
+COc1ccc(CCNCc2csc3nc4ccccc4n23)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2cccc(C(=O)O)c2)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2cccc(F)c2)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2cccc3nsnc23)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1OC,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2cccs2)cc1,0,0.0,
+COc1ccc(CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC,0,0.0,
+COc1ccc(CCNc2c(C)c(C)nc3ncnn23)cc1,1,100.0,
+COc1ccc(CCNc2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1OC,0,0.0,
+COc1ccc(CCNc2cc(=O)[nH]c(N)n2)cc1,0,0.0,
+COc1ccc(CCNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC,0,0.0,
+COc1ccc(CCNc2nc(-c3sc(N)nc3C)cs2)cc1OC,0,0.0,
+COc1ccc(CCNc2nc(=O)[nH]nc2C)cc1OC,0,0.0,
+COc1ccc(CCNc2nc(C)nc3c2oc2ccccc23)cc1OC,1,100.0,
+COc1ccc(CCNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1OC,0,0.0,
+COc1ccc(CCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1OC,0,0.0,
+COc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1OC,0,0.0,
+COc1ccc(CCNc2ncnc3[nH]ncc23)cc1OC,0,0.0,
+COc1ccc(CCNc2ncnc3c2oc2ccccc23)cc1OC,1,100.0,
+COc1ccc(CCNc2ncnc3nc[nH]c23)cc1OC,0,0.0,
+COc1ccc(CCNc2nnc(Sc3nnnn3-c3ccccc3)s2)cc1OC,0,0.0,
+COc1ccc(CCNc2oc(-c3ccc(C)cc3)nc2C#N)cc1OC,0,0.0,
+COc1ccc(CCNc2oc(-c3ccc(OC)c(OC)c3)nc2C#N)cc1,0,0.0,
+COc1ccc(CCNc2oc(-c3ccccc3OC)nc2C#N)cc1,0,0.0,
+COc1ccc(CCNc2oc(-c3ccccc3OC)nc2C#N)cc1OC,0,0.0,
+COc1ccc(CCNc2oc(-c3ccco3)nc2C#N)cc1,0,0.0,
+COc1ccc(CCNc2oc(COc3ccc(Br)cc3)nc2C#N)cc1OC,0,0.0,
+COc1ccc(CCNc2oc(COc3ccc(F)cc3)nc2C#N)cc1,0,0.0,
+COc1ccc(CCNc2oc(COc3ccccc3)nc2C#N)cc1,0,0.0,
+COc1ccc(CCNc2oc(COc3ccccc3Cl)nc2C#N)cc1OC,0,0.0,
+COc1ccc(CCNc2oc(COc3ccccc3F)nc2C#N)cc1,0,0.0,
+COc1ccc(CCNc2oc(COc3ccccc3F)nc2C#N)cc1OC,1,100.0,
+COc1ccc(CCNc2oc(Cc3cccc4ccccc34)nc2C#N)cc1OC,0,0.0,
+COc1ccc(CCNc2oc(Cc3ccccc3)nc2C#N)cc1OC,0,0.0,
+COc1ccc(CC[n+]2cc(/N=C(\C)[O-])on2)cc1OC,0,0.0,
+COc1ccc(CCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1,0,0.0,
+COc1ccc(CCn2c(-c3ccco3)nc3ccccc3c2=O)cc1OC,1,100.0,
+COc1ccc(CCn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1,0,0.0,
+COc1ccc(CCn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1OC,0,0.0,
+COc1ccc(CCn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1,0,0.0,
+COc1ccc(CCn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+COc1ccc(CCn2c(=N)c(C#N)cc3c(=O)n4ccccc4nc32)cc1,0,0.0,
+COc1ccc(CCn2c(=N)c(C(=O)N3CCN(C)CC3)cc3c(=O)n4ccccc4nc32)cc1,0,0.0,
+COc1ccc(CCn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4cccc(C)c4nc32)cc1,1,100.0,0.0
+COc1ccc(CCn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4ccccc4nc32)cc1,1,100.0,0.0
+COc1ccc(CCn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4ccccc4nc32)cc1OC,0,0.0,
+COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)NCCCN4CCOCC4)ccc3c2=O)cc1OC,0,0.0,
+COc1ccc(CCn2c(=S)[nH]c3cc(C(=O)NCc4ccco4)ccc3c2=O)cc1OC,0,0.0,
+COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc(N)s3)c2C)cc1,0,0.0,
+COc1ccc(CCn2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)cc1OC,0,0.0,
+COc1ccc(CCn2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1,0,0.0,
+COc1ccc(CCn2c(C)cc3c(c2=O)C(c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1OC,0,0.0,
+COc1ccc(CCn2c(C)cc3c(c2=O)C(c2ccncc2)C(C#N)=C(N)O3)cc1OC,0,0.0,
+COc1ccc(CCn2c(C)ccc2C)cc1OC,0,0.0,
+COc1ccc(CCn2c(N)c(C#N)c3nc4ccccc4nc32)cc1OC,0,0.0,
+COc1ccc(CCn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1OC,0,0.0,
+COc1ccc(CCn2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1OC,0,0.0,
+COc1ccc(CCn2c(N)cc(=O)[nH]c2=S)cc1OC,0,0.0,
+COc1ccc(CCn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+COc1ccc(CCn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+COc1ccc(CCn2c(NCCCN3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+COc1ccc(CCn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+COc1ccc(CCn2c(O)c(C=NC3CC3)c(=O)[nH]c2=O)cc1OC,0,0.0,
+COc1ccc(CCn2c(O)c(C=NCCCN(C)C)c(=O)[nH]c2=O)cc1OC,0,0.0,
+COc1ccc(CCn2c(O)c(C=NCCCO)c(=O)[nH]c2=O)cc1OC,0,0.0,
+COc1ccc(CCn2c(O)c(C=NCc3ccc4c(c3)OCO4)c(=O)[nH]c2=O)cc1OC,0,0.0,
+COc1ccc(CCn2c(O)c(C=NCc3cccnc3)c(=O)[nH]c2=O)cc1OC,0,0.0,
+COc1ccc(CCn2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)cc1OC,0,0.0,
+COc1ccc(CCn2c(SCC(=O)Nc3cc(C)on3)nc3ccsc3c2=O)cc1OC,1,100.0,0.0
+COc1ccc(CCn2nnnc2C(C(C)C)N2CCC(C(N)=O)CC2)cc1OC,0,0.0,
+COc1ccc(CCn2nnnc2C(C(C)C)N2CCN(c3ncccn3)CC2)cc1OC,0,0.0,
+COc1ccc(CCn2nnnc2C(CC(C)C)N2CCC(C(N)=O)CC2)cc1OC,0,0.0,
+COc1ccc(CCn2nnnc2C(CC(C)C)N2CCN(c3ncccn3)CC2)cc1OC,0,0.0,
+COc1ccc(CCn2nnnc2C(c2ccc(C)cc2)N2CCN(C)CC2)cc1OC,0,0.0,
+COc1ccc(CCn2nnnc2C(c2ccc(Cl)cc2)N2CCN(C)CC2)cc1OC,1,100.0,0.0
+COc1ccc(CCn2nnnc2C(c2ccccc2)N2CCN(C)CC2)cc1OC,0,0.0,
+COc1ccc(CN(C#N)c2nc(SC)nc(N(C)C)n2)cc1,0,0.0,
+COc1ccc(CN(C(=O)CN2C(=O)C(C)Oc3ccccc32)C2CCCC2)c(OC)c1,0,0.0,
+COc1ccc(CN(C(=O)CN2C(=O)COc3ccccc32)C2CCCC2)c(OC)c1,0,0.0,
+COc1ccc(CN(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)cc1,0,0.0,
+COc1ccc(CN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(CN(C(=O)CSc2nnc(-c3ccccc3F)o2)c2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(C)(C)C)c2ccco2)cc1,0,0.0,
+COc1ccc(CN(C(=O)c2ccccc2OC)C2CCS(=O)(=O)C2)cc1,0,0.0,
+COc1ccc(CN(C(=O)c2ccco2)C2CC(C)N(C)CC2C)cc1,0,0.0,
+COc1ccc(CN(C(=O)c2ccco2)c2ccc(Br)cc2)cc1OC,0,0.0,
+COc1ccc(CN(C(=O)c2ccco2)c2ccc(C)cc2)cc1OC,0,0.0,
+COc1ccc(CN(C(=O)c2cccs2)c2nccs2)cc1OC,0,0.0,
+COc1ccc(CN(C(=O)c2oc3ccccc3c2C)C2CCS(=O)(=O)C2)cc1,0,0.0,
+COc1ccc(CN(C(=O)c2oc3ccccc3c2C)C2CCS(=O)(=O)C2)cc1OC,0,0.0,
+COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)C(C(=O)NC(C)(C)C)c2ccco2)cc1,0,0.0,
+COc1ccc(CN(C)C2CCCCC2)cc1,0,0.0,
+COc1ccc(CN(C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)c(OC)c1,0,0.0,
+COc1ccc(CN(C)CCc2ccccn2)c(OC)c1OC,0,0.0,
+COc1ccc(CN(C)CCc2ccccn2)cc1OC,0,0.0,
+COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1OC,0,0.0,
+COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1,0,0.0,
+COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC,0,0.0,
+COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)c2onc(C(N)=O)c2N)cc1,0,0.0,
+COc1ccc(CN(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)cc1,0,0.0,
+COc1ccc(CN(CC(=O)NCC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(CN(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1,0,0.0,
+COc1ccc(CN(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1,0,0.0,
+COc1ccc(CN(CC2CCCO2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1OC,0,0.0,
+COc1ccc(CN(CCCN2CCOCC2)C(=O)Nc2cccc(Cl)c2)cc1OC,0,0.0,
+COc1ccc(CN(CCCN2CCOCC2)C(=O)Nc2ccccc2)cc1OC,0,0.0,
+COc1ccc(CN(CCCN2CCOCC2)S(=O)(=O)N(C)C)cc1OC,0,0.0,
+COc1ccc(CN(CCN(C)C)Cc2ccccc2)c(OC)c1,0,0.0,
+COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,0,0.0,
+COc1ccc(CN(CCN2CCOCC2)C(=O)c2c(F)cccc2F)cc1OC,0,0.0,
+COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N(C)C)cc1,0,0.0,
+COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)NC2CCCCC2)cc1,0,0.0,
+COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)Cc2nnnn2C2CCCC2)cc1,0,0.0,
+COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N(C)C)cc1,0,0.0,
+COc1ccc(CN(Cc2ccccn2)C(=O)CN2C(=O)C(C)Oc3ccccc32)cc1,0,0.0,
+COc1ccc(CN(Cc2ccccn2)C(=O)CN2C(=O)COc3ccccc32)cc1,0,0.0,
+COc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1,0,0.0,
+COc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1,0,0.0,
+COc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1OC,0,0.0,
+COc1ccc(CN(Cc2ccncc2)C(=O)CCC(=O)O)cc1,0,0.0,
+COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C(C)(C)C)cc1,0,0.0,
+COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)NC2CCCCC2)cc1,0,0.0,
+COc1ccc(CN/C(C)=C(/C#N)C(N)=O)cc1OC,0,0.0,
+COc1ccc(CN/C=C2\CCCCC2=O)cc1,0,0.0,
+COc1ccc(CN2C(=O)C(O)(CC(=O)c3c(C)n[nH]c3C)c3ccccc32)cc1OC,0,0.0,
+COc1ccc(CN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,0,0.0,
+COc1ccc(CN2C(=O)CC(=O)NC2=O)cc1,0,0.0,
+COc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCC2)c(OC)c1,0,0.0,
+COc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCC2)c(OC)c1,0,0.0,
+COc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCCC2)cc1,0,0.0,
+COc1ccc(CN2C(=O)CCC2(C)C(=O)NCc2cccnc2)c(OC)c1,0,0.0,
+COc1ccc(CN2C(=O)CN(C3CCCCCC3)C(=O)C2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(CN2C(=O)CN=C2Nc2cc(C)ccc2C)cc1,0,0.0,
+COc1ccc(CN2C(=O)CN=C2Nc2ccc(C)cc2C)cc1,0,0.0,
+COc1ccc(CN2C(=O)CN=C2Nc2cccc(C)c2C)cc1,0,0.0,
+COc1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1F,0,0.0,
+COc1ccc(CN2C(=O)[C@@H]3C(c4ccc(F)cc4)=NO[C@@H]3C2=O)cc1,0,0.0,
+COc1ccc(CN2C(=O)[C@@H]3C(c4ccccc4Cl)=NO[C@@H]3C2=O)cc1,0,0.0,
+COc1ccc(CN2C(=O)c3ccccc3C2C(=O)NC2CCCC2)c(OC)c1,0,0.0,
+COc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCC2CCCO2)c(OC)c1,0,0.0,
+COc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)c(OC)c1,0,0.0,
+COc1ccc(CN2C(=O)c3cccnc3C2Nc2cc(Cl)c(OC)cc2OC)cc1,0,0.0,
+COc1ccc(CN2C(=O)c3cccnc3C2Nc2cc(Cl)ccc2OC)cc1,0,0.0,
+COc1ccc(CN2C(=O)c3cccnc3C2Nc2ccc(OC)c(Cl)c2)cc1,0,0.0,
+COc1ccc(CN2CC(C(=O)N3CCOCC3)CC2=O)cc1,0,0.0,
+COc1ccc(CN2CC(C(=O)NCCC3=CCCCC3)CC2=O)cc1,0,0.0,
+COc1ccc(CN2CC(C(=O)NCCCN3CCCCCC3)CC2=O)cc1,0,0.0,
+COc1ccc(CN2CC(C(=O)NCCCN3CCN(C)CC3)CC2=O)cc1,0,0.0,
+COc1ccc(CN2CC(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)CC2=O)cc1,0,0.0,
+COc1ccc(CN2CC(C(=O)NCCCN3CCOCC3)CC2=O)cc1,0,0.0,
+COc1ccc(CN2CC(C(=O)NCCCOC(C)C)CC2=O)cc1,0,0.0,
+COc1ccc(CN2CC(C(=O)NCCN3CCN(c4ccccc4F)CC3)CC2=O)cc1,0,0.0,
+COc1ccc(CN2CC(C(=O)NCCN3CCOCC3)CC2=O)cc1,0,0.0,
+COc1ccc(CN2CC(C(=O)NCc3cccc(OC)c3)CC2=O)cc1,0,0.0,
+COc1ccc(CN2CC(C(=O)NCc3ccccn3)CC2=O)cc1,0,0.0,
+COc1ccc(CN2CC34C=CC(O3)C(C(=O)O)C4C2=O)cc1,0,0.0,
+COc1ccc(CN2CC3CC(C2)c2cccc(=O)n2C3)cc1OC,0,0.0,
+COc1ccc(CN2CCC(=O)NC2=O)cc1,0,0.0,
+COc1ccc(CN2CCC(CNC(=O)NC3CCCCC3)CC2)cc1,0,0.0,
+COc1ccc(CN2CCCC(C(=O)N(C)Cc3ccccc3)C2)cc1OC,0,0.0,
+COc1ccc(CN2CCCC(C(=O)N3CCCC3)C2)cc1,0,0.0,
+COc1ccc(CN2CCCC2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC,0,0.0,
+COc1ccc(CN2CCCCC2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC,0,0.0,
+COc1ccc(CN2CCCCC2C)c(C)c1C,0,0.0,
+COc1ccc(CN2CCCCC2c2cccnc2)c(OC)c1C,0,0.0,
+COc1ccc(CN2CCCCC2c2cccnc2)cc1C,1,100.0,1.0
+COc1ccc(CN2CCCCCC2)c(C)c1C,0,0.0,
+COc1ccc(CN2CCN(C(=O)C3CC(=O)N(C4CCCCCC4)C3)CC2)c(OC)c1OC,0,0.0,
+COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)c(OC)c1OC,0,0.0,
+COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)c2ccccc12,0,0.0,
+COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)cc1OC,0,0.0,
+COc1ccc(CN2CCN(C(=O)CN3C(=O)C4C5C=CC(C5)C4C3=O)CC2)c(OC)c1OC,0,0.0,
+COc1ccc(CN2CCN(C(=O)COc3cccc(C)c3)CC2)c(OC)c1,0,0.0,
+COc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)c(OC)c1,0,0.0,
+COc1ccc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC,0,0.0,
+COc1ccc(CN2CCN(C(=O)c3cccnc3)CC2)cc1Br,0,0.0,
+COc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+COc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1OCc1ccccc1,0,0.0,
+COc1ccc(CN2CCN(C(=O)c3cccs3)CC2)c(OC)c1OC,0,0.0,
+COc1ccc(CN2CCN(C(=O)c3cccs3)CC2)cc1,0,0.0,
+COc1ccc(CN2CCN(C(=O)c3cccs3)CC2)cc1Br,0,0.0,
+COc1ccc(CN2CCN(C)CC2)cc1OCc1ccccc1,0,0.0,
+COc1ccc(CN2CCN(Cc3ccccc3)CC2)c(OC)c1,0,0.0,
+COc1ccc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC,0,0.0,
+COc1ccc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1OC,1,100.0,0.0
+COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1,0,0.0,
+COc1ccc(CN2CCN(c3cc(C)nc4c5c(C)cc(C)nc5nn34)CC2)cc1F,0,0.0,
+COc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1OC,0,0.0,
+COc1ccc(CN2CCN(c3ccccc3)CC2)c(C)c1C,0,0.0,
+COc1ccc(CN2CCN(c3ccccc3F)CC2)c(OC)c1,1,100.0,0.0
+COc1ccc(CN2CCN(c3ccccn3)CC2)cc1OCc1ccccc1,1,100.0,1.0
+COc1ccc(CN2CCNC(=O)C2CC(=O)O)c(OC)c1,0,0.0,
+COc1ccc(CN2CCNC(=O)C2CC(=O)O)cc1OC,0,0.0,
+COc1ccc(CN2CCOCC2)c(C)c1C,0,0.0,
+COc1ccc(CN2CCOCC2)cc1Br,0,0.0,
+COc1ccc(CN2CN(C(C)C)CSC2=S)cc1,0,0.0,
+COc1ccc(CN=CC2=C(O)CC(C)(C)CC2=O)cc1,0,0.0,
+COc1ccc(CN=CC2=C(O)CNC2=O)cc1OC,0,0.0,
+COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1,1,100.0,
+COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(C)CC2)cc1,0,0.0,
+COc1ccc(CNC(=O)C(C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1,0,0.0,
+COc1ccc(CNC(=O)C(C)NC(=O)c2cc3ccccc3o2)cc1,0,0.0,
+COc1ccc(CNC(=O)C(C)OC(=O)c2cccn2C)cc1,0,0.0,
+COc1ccc(CNC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C(C)C)cc1,0,0.0,
+COc1ccc(CNC(=O)C(OC(C)=O)c2ccccn2)cc1,0,0.0,
+COc1ccc(CNC(=O)C(c2ccco2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1,0,0.0,
+COc1ccc(CNC(=O)C(c2cccs2)N(C(=O)c2csnn2)C2CC2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2C3C=CC4(CN(Cc5cccnc5)C(=O)C24)O3)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)N4C(C)CCCC4C)cc3)C2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)N4CCCCC4)cc3)C2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CC(c3ccc(OC)cc3)=NO2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CC(c3cccc(OC)c3)=NO2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CC=CCC2C(=O)O)cc1OC,0,0.0,
+COc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)c(OC)c1,0,0.0,
+COc1ccc(CNC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCN(C(=O)N3CCOc4ccc(C)cc43)CC2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCN(c3nccs3)CC2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CCNCC2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2COc3ccccc3O2)c(OC)c1,0,0.0,
+COc1ccc(CNC(=O)C2COc3ccccc3O2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CSC(=O)C2)cc1,0,0.0,
+COc1ccc(CNC(=O)C2CSCCS2)cc1,0,0.0,
+COc1ccc(CNC(=O)CCCCCn2c(SCC#N)nc3cc4c(cc3c2=O)OCO4)cc1,0,0.0,
+COc1ccc(CNC(=O)CCCNS(=O)(=O)c2cccc3nonc23)cc1,0,0.0,
+COc1ccc(CNC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1,0,0.0,
+COc1ccc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cc1,0,0.0,
+COc1ccc(CNC(=O)CCc2nc(-c3ccccc3F)no2)c(OC)c1,0,0.0,
+COc1ccc(CNC(=O)CCn2c(=O)oc3ccccc32)cc1,0,0.0,
+COc1ccc(CNC(=O)CN(C(=O)CCC(=O)Nc2ccccn2)c2ccccc2OC)cc1,0,0.0,
+COc1ccc(CNC(=O)CN(C(=O)c2cc3sccc3n2C)C2CCCC2)cc1,0,0.0,
+COc1ccc(CNC(=O)CN(C(=O)c2ccc(CN3CCOCC3)o2)C2CCCC2)cc1,0,0.0,
+COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccccc2)cc1,1,100.0,0.0
+COc1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(CNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1,0,0.0,
+COc1ccc(CNC(=O)CN2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1,0,0.0,
+COc1ccc(CNC(=O)COC(=O)c2c[nH]c(=O)[nH]c2=O)cc1OC,0,0.0,
+COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1,0,0.0,
+COc1ccc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)cc1,0,0.0,
+COc1ccc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)cc1OC,0,0.0,
+COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1,0,0.0,
+COc1ccc(CNC(=O)C[S+]([O-])Cc2nc(-c3ccc(C)cc3)oc2C)cc1,0,0.0,
+COc1ccc(CNC(=O)C[S+]([O-])Cc2nc(-c3ccccc3C)oc2C)cc1,0,0.0,
+COc1ccc(CNC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1,0,0.0,
+COc1ccc(CNC(=O)CSc2ncn[nH]2)cc1,0,0.0,
+COc1ccc(CNC(=O)CSc2ncnc3nc[nH]c23)cc1,0,0.0,
+COc1ccc(CNC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1,0,0.0,
+COc1ccc(CNC(=O)CSc2nnc(C)s2)cc1,0,0.0,
+COc1ccc(CNC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1,0,0.0,
+COc1ccc(CNC(=O)CSc2nnnn2-c2ccccc2)cc1,1,100.0,0.0
+COc1ccc(CNC(=O)CSc2nnnn2Cc2ccccc2)cc1,0,0.0,
+COc1ccc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1,0,0.0,
+COc1ccc(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1,0,0.0,
+COc1ccc(CNC(=O)Cn2cc3c(n2)CCCCC3)cc1,0,0.0,
+COc1ccc(CNC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc1,0,0.0,
+COc1ccc(CNC(=O)Cn2nc(-c3ccc4c(c3)OCCO4)ccc2=O)cc1,0,0.0,
+COc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1,0,0.0,
+COc1ccc(CNC(=O)NC2CCCCC2)cc1,0,0.0,
+COc1ccc(CNC(=O)NCc2ccc(OC)c(OC)c2)cc1OC,1,100.0,0.0
+COc1ccc(CNC(=O)Nc2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(CNC(=O)Nc2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(CNC(=O)Nc2cccc(C)c2)cc1,0,0.0,
+COc1ccc(CNC(=O)Nc2cccs2)cc1OC,0,0.0,
+COc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2c(C)cc(=O)oc2C)cc1OC,0,0.0,
+COc1ccc(CNC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)cc1,0,0.0,
+COc1ccc(CNC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)cc1OC,0,0.0,
+COc1ccc(CNC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1OC,0,0.0,
+COc1ccc(CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cc(-c3ccccc3OC)on2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cc(-c3ccco3)on2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cc(-c3cccs3)on2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cc(C3CC3)on2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3cccnc3)c2=N)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cc3c(C)nc4ccccc4c3o2)c(OC)c1,0,0.0,
+COc1ccc(CNC(=O)c2ccc(=O)oc2)cc1OC,0,0.0,
+COc1ccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)C[S+]3[O-])cc1,0,0.0,
+COc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cccc(N(C)C)c2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cccc(N3CCCC3=O)c2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc1,0,0.0,
+COc1ccc(CNC(=O)c2ccccc2SC)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cccs2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cnc(C)cn2)c(OC)c1,0,0.0,
+COc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cnc3scc(C)n3c2=O)cc1,0,0.0,
+COc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1OC,0,0.0,
+COc1ccc(CNC(=O)c2csnn2)cc1,0,0.0,
+COc1ccc(CNC(=O)c2nnn(Cc3ccc(OC)cc3)c2N)cc1,0,0.0,
+COc1ccc(CNC(=O)c2noc3c2CCCC3)cc1,0,0.0,
+COc1ccc(CNC(=O)c2noc3c2CCCCC3)cc1,0,0.0,
+COc1ccc(CNC(=O)c2onc(C)c2Cl)cc1,0,0.0,
+COc1ccc(CNC(C)C2COc3ccccc3O2)c(OC)c1,0,0.0,
+COc1ccc(CNC2=CC(=O)CC(C)(C)C2)cc1,0,0.0,
+COc1ccc(CNC2CC(=O)N(C)C2=O)cc1,0,0.0,
+COc1ccc(CNC2CCCCC2)cc1,0,0.0,
+COc1ccc(CNC2CCCCC2C)c(OC)c1,0,0.0,
+COc1ccc(CNCC(=O)N2CCC3(CC2)OCCO3)cc1,0,0.0,
+COc1ccc(CNCC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)cc1OC,0,0.0,
+COc1ccc(CNCC(O)COCc2cccs2)cc1,0,0.0,
+COc1ccc(CNCCNC(=O)c2ccco2)c(OC)c1OC,0,0.0,
+COc1ccc(CNCCNC(=O)c2nonc2N)cc1OC,0,0.0,
+COc1ccc(CNS(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)cc1,0,0.0,
+COc1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,0,0.0,
+COc1ccc(CNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)cc1,0,0.0,
+COc1ccc(CNc2cc(C)ccc2C)c(OC)c1OC,0,0.0,
+COc1ccc(CNc2cc(C)nc3ncnn23)c(OC)c1,0,0.0,
+COc1ccc(CNc2ccc(-c3ccc(OC)cc3)nn2)cc1,0,0.0,
+COc1ccc(CNc2ccc(C(=O)O)cc2)cc1,0,0.0,
+COc1ccc(CNc2ccc(S(N)(=O)=O)cc2)c(OC)c1OC,0,0.0,
+COc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1,0,0.0,
+COc1ccc(CNc2n[nH]c(NCc3ccc(OC)c(OC)c3)n2)cc1OC,0,0.0,
+COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccco2)cc1,0,0.0,
+COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2cccs2)cc1,0,0.0,
+COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(S(C)(=O)=O)n2)cc1,0,0.0,
+COc1ccc(CNc2nc(SC)n[nH]2)cc1OC,0,0.0,
+COc1ccc(CNc2nc(SCC(=O)NCc3ccco3)nc3ccccc23)cc1,0,0.0,
+COc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)cc1,0,0.0,
+COc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)cc1,0,0.0,
+COc1ccc(CNc2nc3c(c(=O)n(Cc4ccc(Br)cc4)c(=O)n3C)n2C)cc1,0,0.0,
+COc1ccc(CNc2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)cc1,0,0.0,
+COc1ccc(CNc2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C)cc1,0,0.0,
+COc1ccc(CNc2nc3c(c(C(F)(F)F)n2)CCCCC3)cc1,0,0.0,
+COc1ccc(CNc2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc1OC,0,0.0,
+COc1ccc(CNc2nc3nc(C)c(Cl)c(=O)n3[nH]2)cc1OC,0,0.0,
+COc1ccc(CNc2nc3nc(C)c(Cl)c(C)n3n2)cc1OC,0,0.0,
+COc1ccc(CNc2nc3nc(C)cc(C)n3n2)cc1OC,0,0.0,
+COc1ccc(CNc2oc(-c3cccc4ccccc34)nc2C#N)cc1,0,0.0,
+COc1ccc(CNc2oc(-c3ccccc3)nc2C#N)cc1,0,0.0,
+COc1ccc(CNc2oc(COc3ccc(Cl)cc3)nc2C#N)cc1,0,0.0,
+COc1ccc(CNc2oc(COc3ccccc3)nc2C#N)cc1,0,0.0,
+COc1ccc(CNc2oc(COc3ccccc3Cl)nc2C#N)cc1,0,0.0,
+COc1ccc(CNc2oc(Cc3cccc4ccccc34)nc2C#N)cc1,0,0.0,
+COc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccc(O)c(OC)c2)cc1,0,0.0,
+COc1ccc(COC(=O)c2ccc(N3CCCC3=O)cc2)cc1F,0,0.0,
+COc1ccc(COC(=O)c2n[nH]c3ccccc23)cc1F,0,0.0,
+COc1ccc(COC(=O)c2nc3nc(C)cc(C)n3n2)cc1F,0,0.0,
+COc1ccc(COCC(O)CN2CCOCC2)cc1OC,0,0.0,
+COc1ccc(COn2c(=O)c(C)[n+]([O-])c3ccccc32)cc1OC,0,0.0,
+COc1ccc(CSC2=NCCN2)cc1Cl,0,0.0,
+COc1ccc(CSCCN)cc1Cl,0,0.0,
+COc1ccc(CSc2n[nH]c(C)n2)cc1Br,0,0.0,
+COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1,0,0.0,
+COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1Br,0,0.0,
+COc1ccc(CSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)cc1,0,0.0,
+COc1ccc(CSc2nnc(C)n2N)cc1,0,0.0,
+COc1ccc(CSc2nnc(C)n2N)cc1Br,0,0.0,
+COc1ccc(CSc2nnc(N)s2)cc1F,0,0.0,
+COc1ccc(CSc2nnc3n(C)c(=O)c4c5c(sc4n23)CCCC5)cc1,0,0.0,
+COc1ccc(CSc2nncn2N)cc1Br,0,0.0,
+COc1ccc(CSc2nnnn2C)cc1F,0,0.0,
+COc1ccc(CSc2nnnn2Cc2ccccc2)cc1OC,0,0.0,
+COc1ccc(Cc2c(O)nc(SC)n(C(C)=O)c2=O)cc1,0,0.0,
+COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1OC,0,0.0,
+COc1ccc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1,0,0.0,
+COc1ccc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1OC,0,0.0,
+COc1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1,0,0.0,
+COc1ccc(Cc2nc(-c3ccc(Br)o3)no2)cc1OC,0,0.0,
+COc1ccc(Cc2nc(-c3ccc(Cl)cc3)no2)cc1,0,0.0,
+COc1ccc(Cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)cc1,0,0.0,
+COc1ccc(Cc2nc(-c3ccccc3)no2)cc1,1,100.0,0.0
+COc1ccc(Cc2nc(-c3cccs3)no2)cc1OC,0,0.0,
+COc1ccc(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1OC,1,100.0,0.0
+COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,0,0.0,
+COc1ccc(Cc2nn3c(-c4cc(OC)c(OC)c(OC)c4)nnc3s2)cc1,0,0.0,
+COc1ccc(Cc2nn3c(-c4ccccc4Br)nnc3s2)cc1,0,0.0,
+COc1ccc(Cc2nn3c(-c4ccccc4OC)nnc3s2)cc1,0,0.0,
+COc1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,0,0.0,
+COc1ccc(Cc2nnc(-c3cccc(C)c3)o2)cc1OC,0,0.0,
+COc1ccc(Cc2nnc(NC(=O)C3CCCO3)s2)cc1,0,0.0,
+COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1,0,0.0,
+COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC,0,0.0,
+COc1ccc(Cc2nnc(NC(=O)c3c(-c4ccccc4)noc3C)s2)cc1,0,0.0,
+COc1ccc(Cc2nnc(NC(=O)c3c(-c4ccccc4)noc3C)s2)cc1OC,0,0.0,
+COc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1OC,0,0.0,
+COc1ccc(Cc2nnc(NC(=O)c3cccs3)s2)cc1,0,0.0,
+COc1ccc(Cc2nnc(NS(=O)(=O)Cc3ccccc3)s2)cc1,0,0.0,
+COc1ccc(Cc2nnc(Nc3ccc(C)cc3C)[nH]c2=O)cc1,0,0.0,
+COc1ccc(Cc2nnc(SC)[nH]c2=O)cc1OC,0,0.0,
+COc1ccc(Cc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1,0,0.0,
+COc1ccc(Cc2nnc(SCC(=O)N3CCc4ccccc4C3)o2)cc1,0,0.0,
+COc1ccc(Cc2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1,0,0.0,
+COc1ccc(Cc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1,0,0.0,
+COc1ccc(Cc2nnc(SCC(=O)NCC3CCCO3)o2)cc1,0,0.0,
+COc1ccc(Cc2nnc(SCC(=O)NCCc3ccccc3)o2)cc1,0,0.0,
+COc1ccc(Cc2nnc(SCC(=O)NCc3ccco3)o2)cc1,0,0.0,
+COc1ccc(Cc2nnc(SCC(=O)Nc3nc(C)cs3)o2)cc1,0,0.0,
+COc1ccc(Cc2nnc(SCC(=O)Nc3ncc(C)s3)o2)cc1,0,0.0,
+COc1ccc(Cc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1,0,0.0,
+COc1ccc(Cc2nnc(SCC(=O)c3ccccc3)o2)cc1,0,0.0,
+COc1ccc(Cc2nnc(SCc3c(C)noc3C)n2C2CCCCC2)cc1OC,0,0.0,
+COc1ccc(Cc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)cc1,0,0.0,
+COc1ccc(Cc2nnc(SCc3nc4ccccc4c(=O)[nH]3)o2)cc1,0,0.0,
+COc1ccc(Cc2nnc3c4cnn(C)c4ncn23)cc1,0,0.0,
+COc1ccc(Cc2nnc3n2N=C(c2cc4ccccc4o2)CS3)cc1OC,0,0.0,
+COc1ccc(Cc2nnn(CC(=O)O)n2)cc1,0,0.0,
+COc1ccc(Cc2nnnn2CC(=O)O)cc1,0,0.0,
+COc1ccc(Cc2noc(-c3ccc(C)cc3)n2)cc1,0,0.0,
+COc1ccc(Cc2noc(-c3ccc(OC)c(OC)c3)n2)cc1OC,0,0.0,
+COc1ccc(Cl)c(Cn2c(NCC(C)O)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1ccc(Cl)c(Cn2c(NCCCN(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1ccc(Cl)c(Cn2c(NCCCO)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1ccc(Cl)c(Cn2c(NCc3ccccn3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1ccc(Cl)c(Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1ccc(Cl)c(N2CCN(CCCNC(=O)Nc3ccc(C)cc3)CC2)c1,0,0.0,
+COc1ccc(Cl)c(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1,0,0.0,
+COc1ccc(Cl)c(NC(=O)NCCN2CCN(c3ccccc3)CC2)c1,0,0.0,
+COc1ccc(Cl)c(NC(=O)Nc2c(C)n(-c3ccccc3)c(=O)n2C)c1,0,0.0,
+COc1ccc(Cl)c(NCCC(=O)O)c1,0,0.0,
+COc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1,0,0.0,
+COc1ccc(Cl)cc1-c1n[nH]c(=S)o1,0,0.0,
+COc1ccc(Cl)cc1-c1nc(-c2ccc(Br)o2)no1,0,0.0,
+COc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3ccncc3)cc2)no1,0,0.0,
+COc1ccc(Cl)cc1-c1nc(-c2ccncc2)no1,0,0.0,
+COc1ccc(Cl)cc1-n1c(=S)sc2c(=O)[nH]c(SCC(=O)NCC3CCCO3)nc21,0,0.0,
+COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O)c1C,0,0.0,
+COc1ccc(Cl)cc1-n1c(N)c(C(N)=O)sc1=S,0,0.0,
+COc1ccc(Cl)cc1C(=O)CSc1nc(N)cc(N)n1,0,0.0,
+COc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCC1,0,0.0,
+COc1ccc(Cl)cc1C(=O)N(Cc1nc(-c2cccc(C)c2)no1)C(C)C,0,0.0,
+COc1ccc(Cl)cc1C(=O)N1CCN=C1SC,0,0.0,
+COc1ccc(Cl)cc1C(=O)NCC(C)C,0,0.0,
+COc1ccc(Cl)cc1C(=O)NCC(c1ccco1)N1CCCC1,1,100.0,1.0
+COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,0,0.0,
+COc1ccc(Cl)cc1C(=O)NCc1cn2c(C)csc2n1,0,0.0,
+COc1ccc(Cl)cc1C(=O)Nc1cc(=O)n(C)c(=O)n1C,0,0.0,
+COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1,0,0.0,
+COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C)CC1,0,0.0,
+COc1ccc(Cl)cc1C(=O)Nc1nnn(C)n1,0,0.0,
+COc1ccc(Cl)cc1C(=O)Nn1c(C)nc2ccccc2c1=O,0,0.0,
+COc1ccc(Cl)cc1C(=O)Nn1cnc2ccccc2c1=O,0,0.0,
+COc1ccc(Cl)cc1C(=O)n1nc(C)cc1C,0,0.0,
+COc1ccc(Cl)cc1CN1CCN(c2nc(C)cc(C)c2C#N)CC1,0,0.0,
+COc1ccc(Cl)cc1CSc1n[nH]c(C)n1,0,0.0,
+COc1ccc(Cl)cc1N(C)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+COc1ccc(Cl)cc1N(C)C(=O)CCc1nc(-c2ccc(C)cc2)no1,0,0.0,
+COc1ccc(Cl)cc1N(CC(=O)N1CCC(C)CC1)S(C)(=O)=O,0,0.0,
+COc1ccc(Cl)cc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O,0,0.0,
+COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O,0,0.0,
+COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O,0,0.0,
+COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O,0,0.0,
+COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O,0,0.0,
+COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1ccc(F)c(F)c1,0,0.0,
+COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1ccc(F)cc1,0,0.0,
+COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1cccc(F)c1,0,0.0,
+COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1ccccc1F,0,0.0,
+COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1sccc1C,0,0.0,
+COc1ccc(Cl)cc1N1C(=O)[C@@H]2C(c3cccc(OC)c3OC)=NO[C@@H]2C1=O,0,0.0,
+COc1ccc(Cl)cc1N1CC(C(=O)Nc2nccs2)CC1=O,0,0.0,
+COc1ccc(Cl)cc1N1CC(c2nc3ccccc3[nH]2)CC1=O,0,0.0,
+COc1ccc(Cl)cc1N1CCN(CCNC(=O)Nc2ccccc2C)CC1,0,0.0,
+COc1ccc(Cl)cc1N=Cc1c(O)cc(C)oc1=O,0,0.0,
+COc1ccc(Cl)cc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)C1CCCN(c2cc(C)nc3ncnn23)C1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)C1CCCO1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)C1CSC(c2ccncc2)=N1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CC(C)=O,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CCN1CCN(c2ccccc2C)CC1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CCn1cnc2ccccc2c1=O,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CN(C(=O)c1ccco1)C1CCCCC1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CN(C)C(C)C(=O)NCC1CCCCC1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CN1C(=O)CCS(=O)(=O)c2ccccc21,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CN1C(=O)CSC1=O,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)COC(=O)CCNC(C)=O,0,0.0,
+COc1ccc(Cl)cc1NC(=O)COc1cccc(-n2cnnn2)c1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1oc1ccccc12,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)n1CC1CCCO1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2)n1C,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2)n1N,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,0,0.0,
+COc1ccc(Cl)cc1NC(=O)CSc1nncn1-c1cccnc1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n2nc(C)nc2c2ccccc21,0,0.0,
+COc1ccc(Cl)cc1NC(=O)Cn1cccc1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)N(C)Cc1c(C)nn(C)c1C,0,0.0,
+COc1ccc(Cl)cc1NC(=O)N1CCN(C2CCCCC2)CC1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)N1CCN(CCc2ccccc2)CC1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)N1CCN(S(C)(=O)=O)CC1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)NC(C)c1ccncc1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)noc1C,0,0.0,
+COc1ccc(Cl)cc1NC(=O)c1cccnc1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)c1ccco1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)c1ccoc1C,0,0.0,
+COc1ccc(Cl)cc1NC(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+COc1ccc(Cl)cc1NC(=O)c1cnc2sccn2c1=O,0,0.0,
+COc1ccc(Cl)cc1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1,0,0.0,
+COc1ccc(Cl)cc1NC(=O)c1oc(C)nc1C,0,0.0,
+COc1ccc(Cl)cc1NC(=O)c1ocnc1C,0,0.0,
+COc1ccc(Cl)cc1NC1=NCC(C)S1,0,0.0,
+COc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1OC,0,0.0,
+COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+COc1ccc(Cl)cc1Nc1cc(C)nc2nc(C)nn12,0,0.0,
+COc1ccc(Cl)cc1Nc1nc(C)cc(=O)[nH]1,0,0.0,
+COc1ccc(Cl)cc1Nc1nc(N2CCCC2)nc(N2CCCC2)n1,0,0.0,
+COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)N1CCCC(C(=O)NCC(N)=O)C1,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C)CC1,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)C(C)(C)C)CC1,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)N1CCN=C1C,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)NCc1cccs1,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)n1ccnc1C(C)C,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21,0,0.0,
+COc1ccc(Cl)cc1S(=O)(=O)n1nnc2ccccc21,0,0.0,
+COc1ccc(Cn2c(-c3ccco3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(Cc5ccccc5)CC4)ccc3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCCN4CCCC4)ccc3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCCN4CCCCC4)ccc3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(=O)c3c(nc(NCCO)n3C)n(C)c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(=O)n(Cc3ccco3)c(=N)c3c4c(sc32)COC(C)(C)C4)cc1,0,0.0,
+COc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1OC,0,0.0,
+COc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)cc1,0,0.0,
+COc1ccc(Cn2c(C)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)C4CC4)cc3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)c4ccco4)cc3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(C3CC3)nc3ccc(NC(C)=O)cc3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(CCC(=O)N3CCN(c4ccccn4)CC3)nc3ncccc3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(CCC(=O)NCc3ccco3)nc3cccnc32)cc1,0,0.0,
+COc1ccc(Cn2c(CCC(=O)Nc3ccc(CC#N)cc3)nc3cccnc32)cc1,0,0.0,
+COc1ccc(Cn2c(CCC(=O)O)nc3cccnc32)cc1,0,0.0,
+COc1ccc(Cn2c(CCCO)nc3ccccc32)cc1OC,0,0.0,
+COc1ccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc1OC,0,0.0,
+COc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1,0,0.0,
+COc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1OC,0,0.0,
+COc1ccc(Cn2c(O)c(C=NCCCn3ccnc3)c(=O)[nH]c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(O)c(C=NCCN3CCOCC3)c(=O)[nH]c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1,0,0.0,
+COc1ccc(Cn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)cc1,0,0.0,
+COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)c(C)nc32)cc1,0,0.0,
+COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)cc1,0,0.0,
+COc1ccc(Cn2cccc(NC(=O)Nc3ccc(C#N)cc3)c2=O)cc1,0,0.0,
+COc1ccc(Cn2ccnc2)cc1Br,0,0.0,
+COc1ccc(Cn2nc(C)cc2C)cc1OC,0,0.0,
+COc1ccc(Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)cc1,0,0.0,
+COc1ccc(Cn2nnc3c(=O)[nH]c(C(=O)NCCc4ccc(F)cc4)nc32)cc1OC,0,0.0,
+COc1ccc(Cn2nnc3c(=O)[nH]c(C4CCCN(C(=O)c5ccccc5)C4)nc32)cc1,0,0.0,
+COc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)c5ccccc5Cl)CC4)nc32)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(C(C)C)N(Cc2ccco2)Cc2cccs2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(C(C)C)N2CCN(c3ccccc3OC)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(C(C)C)N2CCc3ccccc32)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(CC(C)C)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2cc(OC)ccc2OC)N2CCC(C(N)=O)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2cc3cc(C)cc(C)c3[nH]c2=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2cc3cc(C)ccc3[nH]c2=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2cc3ccc(OC)cc3[nH]c2=O)N2CCCCCC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2cc3cccc(C)c3[nH]c2=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2ccc(C)cc2)N2CCN(C3CCCC3)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2ccc(F)cc2)N2CCN(C3CCCC3)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2ccc(N(C)C)cc2)N2CCC(C)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2ccccc2)N2CCN(C3CCCC3)CC2)cc1,1,100.0,
+COc1ccc(Cn2nnnc2C(c2ccccc2Cl)N2CCN(C)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2ccccc2Cl)N2CCN(C3CCCC3)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2ccccc2OC)N2CCC(C(N)=O)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2ccccn2)N2CCN(c3cc(Cl)ccc3C)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(c3ccc(O)cc3)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2cccs2)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2cccs2)N2CCOCC2)cc1,1,100.0,
+COc1ccc(Cn2nnnc2C(c2cccs2)N2CCSCC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2C(c2ccncc2)N2CCOCC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2CN(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2CN(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2CN2CCC(c3nc4ccccc4s3)CC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2CN2CCOCC2)cc1,0,0.0,
+COc1ccc(Cn2nnnc2CN2CCc3ccccc32)cc1,0,0.0,
+COc1ccc(F)c(C2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)c1,0,0.0,
+COc1ccc(F)cc1CN1CCN(C(=O)CCC(=O)Nc2nnc(C(C)C)s2)CC1,0,0.0,
+COc1ccc(F)cc1CN1CCN(c2cc(C)nc3c4c(C)cc(C)nc4nn23)CC1,0,0.0,
+COc1ccc(F)cc1S(=O)(=O)N1CCC(C(N)=O)CC1,0,0.0,
+COc1ccc(F)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cc(F)ccc2OC)CC1,0,0.0,
+COc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+COc1ccc(F)cc1S(=O)(=O)NC(Cc1ccccc1)C(N)=O,0,0.0,
+COc1ccc(F)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1,0,0.0,
+COc1ccc(F)cc1S(=O)(=O)NC1CCCCCC1,0,0.0,
+COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C)cc1,0,0.0,
+COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+COc1ccc(F)cc1S(=O)(=O)n1cc(C)nc1-c1ccccc1,0,0.0,
+COc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1,0,0.0,
+COc1ccc(N(C(=O)C2CCCCC2)C2C=CS(=O)(=O)C2)c(OC)c1,0,0.0,
+COc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccco2)cc1,0,0.0,
+COc1ccc(N(C(=O)COc2ccccc2)C2C=CS(=O)(=O)C2)c(OC)c1,0,0.0,
+COc1ccc(N(C(=O)COc2ccccc2)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+COc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1,0,0.0,
+COc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2cccnc2)cc1,0,0.0,
+COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)cc1,0,0.0,
+COc1ccc(N(C(=O)c2ccc(Br)o2)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+COc1ccc(N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+COc1ccc(N(C(=O)c2cccc(OC)c2OC)C2C=CS(=O)(=O)C2)c(OC)c1,0,0.0,
+COc1ccc(N(C(=O)c2cccc(OC)c2OC)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+COc1ccc(N(C(=O)c2ccccc2OC)C2C=CS(=O)(=O)C2)c(OC)c1,0,0.0,
+COc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1,0,0.0,
+COc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1,0,0.0,
+COc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1OC,0,0.0,
+COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2cc(OC)ccc2OC)cc1,1,100.0,
+COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2cccs2)cc1,0,0.0,
+COc1ccc(N(C(C)=O)C2C=CS(=O)(=O)C2)c(OC)c1,0,0.0,
+COc1ccc(N(C(C)=O)S(=O)(=O)c2cc(OC)ccc2OC)cc1,0,0.0,
+COc1ccc(N(C(C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1,0,0.0,
+COc1ccc(N(C(C)C(=O)NCc2ccco2)S(C)(=O)=O)cc1,0,0.0,
+COc1ccc(N(C)C(=O)CC2(CC(=O)O)CCCCC2)cc1,0,0.0,
+COc1ccc(N(C)C(=O)CCC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c(OC)c1,0,0.0,
+COc1ccc(N(C)C(=O)CCS(=O)(=O)c2cccc3nonc23)c(OC)c1,0,0.0,
+COc1ccc(N(C)C(=O)CCS(=O)(=O)c2cccc3nonc23)cc1,0,0.0,
+COc1ccc(N(C)C(=O)Nc2ccc3c(c2)nnn3C)cc1,0,0.0,
+COc1ccc(N(C)C(=O)c2ccc3snnc3c2)cc1,0,0.0,
+COc1ccc(N(C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c(OC)c1,0,0.0,
+COc1ccc(N(C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1,0,0.0,
+COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1,0,0.0,
+COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)cc1,0,0.0,
+COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(-n4cnnn4)cc3)c2)cc1,0,0.0,
+COc1ccc(N(C)S(=O)(=O)c2cccc3cccnc23)c(OC)c1,0,0.0,
+COc1ccc(N(C2CSC2)S(=O)(=O)c2ccccc2)cc1,0,0.0,
+COc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)N2CCCC(C)C2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1,0,0.0,
+COc1ccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1OC,0,0.0,
+COc1ccc(N(CC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1OC,0,0.0,
+COc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)cc1OC,0,0.0,
+COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)n[nH]c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1,0,0.0,
+COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)N2c3ccccc3CC2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)N2c3ccccc3CC2C)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2ccco2)cc1,0,0.0,
+COc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1OC,0,0.0,
+COc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)c(OC)c1,0,0.0,
+COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1,0,0.0,
+COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1OC,0,0.0,
+COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC,0,0.0,
+COc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(N3CCCCC3)nc2)cc1,0,0.0,
+COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c(OC)c1,0,0.0,
+COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2cccnc2)cc1,0,0.0,
+COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)c(OC)c1,0,0.0,
+COc1ccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)cc1Cl,0,0.0,
+COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)NCc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)NCc2ccccc2OC)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1,0,0.0,
+COc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1Cl,0,0.0,
+COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2cccnc2)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2cc(C(=O)O)ccc2C)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2cc(C)ccc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc(C)cn2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc(C)cn2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1OC,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2cccnc2)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c(OC)c1,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(OC)c1,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c(OC)c1,0,0.0,
+COc1ccc(N(CC(=O)Nc2cccc(C(=O)O)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1OC,0,0.0,
+COc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2c(C)n[nH]c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1OC,0,0.0,
+COc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1Cl,0,0.0,
+COc1ccc(N(CC(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1OC,0,0.0,
+COc1ccc(N(CC(=O)Nc2nc3ccc(C)cc3s2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(N(CC(=O)O)S(=O)(=O)c2cccnc2)cc1,0,0.0,
+COc1ccc(N(CC(=O)O)S(C)(=O)=O)cc1OC,0,0.0,
+COc1ccc(N(CC(O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(N(CC(O)Cn2nnc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(N(CN2C(=O)C3C4C=CC(C4)C3C2=O)C(=O)c2ccco2)cc1,0,0.0,
+COc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)C(C)C)cc1,0,0.0,
+COc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccco2)cc1,0,0.0,
+COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)C2CCCO2)cc1,0,0.0,
+COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)c2cccnc2)cc1,0,0.0,
+COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(C)(=O)=O)cc1,0,0.0,
+COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)cc1,0,0.0,
+COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)=O)cc1,0,0.0,
+COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C2CCCO2)cc1,0,0.0,
+COc1ccc(N(Cc2ccco2)C(=O)c2ccccc2F)cc1OC,0,0.0,
+COc1ccc(N)cc1C#N,0,0.0,
+COc1ccc(N/C(=N\c2nc(C)cc(C)n2)NC(=O)C(C)C)cc1OC,0,0.0,
+COc1ccc(N/C(=N\c2nc(C)cc(C)n2)NC(C)=O)cc1OC,0,0.0,
+COc1ccc(N/C(C)=C2/C(=O)C(=O)N(CCO)C2c2ccc(Br)cc2)cc1,0,0.0,
+COc1ccc(N/C(N)=N/c2nc(CSc3ccc(C)cc3)cc(=O)[nH]2)cc1,0,0.0,
+COc1ccc(N/C=C(\C#N)c2nc3ccccc3n2C)c(OC)c1,0,0.0,
+COc1ccc(N/C=C2/CCCCC2=O)cc1,0,0.0,
+COc1ccc(N/C=C2\CCOC2=O)cc1,0,0.0,
+COc1ccc(N/C=C\C(=O)C2C(=O)CC(C)(C)CC2=O)cc1,0,0.0,
+COc1ccc(N2C(=NC(C)=O)SC3CS(=O)(=O)CC32)cc1OC,0,0.0,
+COc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)C(CC(=O)O)S/C2=C\C(C)=O)cc1,0,0.0,
+COc1ccc(N2C(=O)C(Cl)=C(N(CCO)Cc3ccccc3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)C(Cl)=C(N3CCCC3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)C(Cl)=C(N3CCN(Cc4ccccc4)CC3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)C(Cl)=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1,1,100.0,1.0
+COc1ccc(N2C(=O)C3C(C2=O)C2C=CC3C23CC3)c(OC)c1,0,0.0,
+COc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c(OC)c1,0,0.0,
+COc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)nn1,0,0.0,
+COc1ccc(N2C(=O)C3CC(C)=C(C)CC3C2=O)c(OC)c1,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2cc(OC)c(OC)c(OC)c2)cc1,1,100.0,0.0
+COc1ccc(N2C(=O)C3CCCN3C2c2cc(OC)c(OC)cc2OC)cc1,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2ccc(C)cc2)cc1Cl,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2ccc(C)o2)cc1Cl,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2ccc(Cl)cc2)cc1,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2ccc(F)cc2)cc1Cl,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2cccc(Br)c2)cc1,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2cccc(C)c2)cc1,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2cccc(C)c2)cc1Cl,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2cccc(F)c2)cc1Cl,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2cccc(OC)c2)cc1,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2cccc(OC)c2OC)cc1,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2)cc1,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2)cc1Cl,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2Cl)cc1,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2F)cc1,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2OC)cc1,0,0.0,
+COc1ccc(N2C(=O)C3CCCN3C2c2cccs2)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(=O)NC2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(Cc3ccccc3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(N(Cc3ccc(S(N)(=O)=O)cc3)C(C)=O)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(N3CC=C(c4ccccc4)CC3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(N3CCC(C(N)=O)CC3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(N3CCCC4CCCCC43)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(N3CCN(C4CCc5ccccc5C4)CC3)C2=O)cc1,1,100.0,0.0
+COc1ccc(N2C(=O)CC(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)C2=O)cc1OC,0,0.0,
+COc1ccc(N2C(=O)CC(N3CCN(c4ccc(S(=O)(=O)N5CCCC5)cc4)CC3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(N3CCN(c4nc5ccccc5s4)CC3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(NC34CC5CC(CC(C5)C3)C4)C2=O)c(OC)c1,0,0.0,
+COc1ccc(N2C(=O)CC(NC3CC3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(NCc3cccc(F)c3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(NCc3cccs3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(NCc3ccncc3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)c(OC)c1,0,0.0,
+COc1ccc(N2C(=O)CC(Sc3nc(C)c4c(n3)CCCC4)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(Sc3ncn[nH]3)C2=O)c(OC)c1,0,0.0,
+COc1ccc(N2C(=O)CC(Sc3nnc(-c4ccccc4)o3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(c3ccc(OC(C)C)cc3)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CC(n3c(CCCCO)nc4ccccc43)C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC(C(=O)N(C)C3CCCCC3)C2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC(C(=O)N3CCC(C(N)=O)CC3)C2c2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC(C(=O)N3CCCCC3)C2c2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC(C(=O)N3CCCCC3)C2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC(C(=O)N3CCCCCC3)C2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC(C(=O)N3CCOCC3)C2c2ccc(F)cc2)cc1,1,100.0,0.0
+COc1ccc(N2C(=O)CCC(C(=O)NCCN3CCOCC3)C2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC(C(=O)NCc3ccccn3)C2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(C)n3)C2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC(C(=O)Nc3ccccn3)C2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC(C(=O)O)C2c2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC(C(=O)c3ccccc3)=C2C)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC(C(C)=O)=C2C)cc1,0,0.0,
+COc1ccc(N2C(=O)CCC2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)CN=C2Nc2cccc(C)c2C)cc1OC,0,0.0,
+COc1ccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)cc1,0,0.0,
+COc1ccc(N2C(=O)CSC23C(=O)N2CCCc4cccc3c42)cc1,1,100.0,1.0
+COc1ccc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc1OC,0,0.0,
+COc1ccc(N2C(=O)CSC23CCCCC3)cc1,0,0.0,
+COc1ccc(N2C(=O)CSC2c2ccc3c(c2)OCO3)c(OC)c1,0,0.0,
+COc1ccc(N2C(=O)CSC2c2ccc3c(c2)OCO3)cc1,0,0.0,
+COc1ccc(N2C(=O)CSC2c2cccc(F)c2)c(OC)c1,0,0.0,
+COc1ccc(N2C(=O)CSC2c2ccncc2)cc1,0,0.0,
+COc1ccc(N2C(=O)NC3CC2(C)Oc2ccc(Br)cc23)cc1OC,0,0.0,
+COc1ccc(N2C(=O)NC3CC2(C)Oc2ccc(Cl)cc23)cc1OC,0,0.0,
+COc1ccc(N2C(=O)NC3CC2(C)Oc2ccccc23)cc1OC,0,0.0,
+COc1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)c3ccc(NC(C)=O)cc3C2=O)cc1,0,0.0,
+COc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)nn1,0,0.0,
+COc1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1,0,0.0,
+COc1ccc(N2C(C)=CS/C2=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1,0,0.0,
+COc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CC(C)(C)CC3=O)cc1,0,0.0,
+COc1ccc(N2C(N)=NC(N)=NC23CCCC3)cc1,0,0.0,
+COc1ccc(N2C3=[N+](CC2(C)O)c2ccccc2CC3)cc1,0,0.0,
+COc1ccc(N2C3=[N+](CCCC3)CC2(C)O)cc1,0,0.0,
+COc1ccc(N2CC(=O)N(c3ccc(OC)c(OC)c3)CC2=O)cc1OC,0,0.0,
+COc1ccc(N2CC(C(=O)NC3CC(C)(C)NC(C)(C)C3)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C(=O)NCCC3=CCCCC3)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C(=O)NCCCN3CCOCC3)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C(=O)NCc3ccccc3)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C(=O)NCc3cccnc3)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C(=O)Nc3ccc(F)cc3F)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C(=O)Nc3ncccc3C)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C(=O)OCC(=O)c3cccc(OC)c3)CC2=O)cc1,0,0.0,
+COc1ccc(N2CC(C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1,0,0.0,
+COc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,0,0.0,
+COc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,0,0.0,
+COc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c(OC)c1,0,0.0,
+COc1ccc(N2CC(O)=C(c3nc(C)cs3)C2=N)cc1,0,0.0,
+COc1ccc(N2CC(O)=C(c3nc4ccccc4s3)C2=N)c(OC)c1,0,0.0,
+COc1ccc(N2CC(O)=C(c3nc4ccccc4s3)C2=N)cc1,0,0.0,
+COc1ccc(N2CCC(CNC(=O)Nc3ccc(C)c(C)c3)C2)cc1,0,0.0,
+COc1ccc(N2CCC(CNC(=O)Nc3ccc(OC)cc3OC)C2)cc1,0,0.0,
+COc1ccc(N2CCC(CNS(=O)(=O)c3cccc(C(F)(F)F)c3)C2)cc1,0,0.0,
+COc1ccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1,0,0.0,
+COc1ccc(N2CCCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1,0,0.0,
+COc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1,0,0.0,
+COc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,0,0.0,
+COc1ccc(N2CCCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,0,0.0,
+COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c(OC)c1,0,0.0,
+COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)c(OC)c1,0,0.0,
+COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1,0,0.0,
+COc1ccc(N2CCN(/C(=N\S(=O)(=O)c3ccccc3)Nc3nc(C)cc(C)n3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)C(CCSC)N=C3NS(=O)(=O)c4ccccc43)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)C(Cc3ccccc3)n3cccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)C(OC(C)=O)c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)C34CCC(C)(C(=O)C3)C4(C)C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)C3CCC(Cn4c(=S)[nH]c5ccccc5c4=O)CC3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cccc5cccnc45)C3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CC(NC(N)=O)c3cccc(Oc4ccccc4)c3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CC3NC4CCCCC4NC3=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CCCC3=NS(=O)(=O)c4ccccc4N3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CCCOc3cc(=O)n(C)c4ccccc34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(Br)s3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cccc4nsnc34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CCn3nnc4ccccc43)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(C)(=O)=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CN3C(=O)C4CC=CCC4C3=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CN=C3NS(=O)(=O)C(c4ccc(C)cc4)=C3C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CNC(=O)Cn3c(C)cc4ccccc4c3=O)CC2)cc1,1,100.0,0.0
+COc1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3ccccc3N)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3nc4c(c(=O)n(C)c(=O)n4C)n3C(C)C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3nc4cc(OC)c(OC)cc4cc3C#N)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3ncccc3-c3nc4ccccc4[nH]3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3ncnc4c3cnn4-c3ccc(OC)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3ncnc4c3cnn4-c3ccccc3C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cc5ccccc5cc4O)n3C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc5[nH]c(C)c(C)c5c4)o3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3nnc(C)c(=O)[nH]3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3nnc(CNc4ccccc4)o3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3nnc(COc4cccc5cccnc45)o3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3nnc(Cn4nnc5ccccc54)n3C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3nnc4n3C(C)(C)Cc3ccccc3-4)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3nnc4ncccn34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)CSc3nnnn3-c3ccc4c(c3)OCCO4)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)Cc3ccc(-n4c(=O)[nH]c5ccccc5c4=O)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)Cn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)Cn3nnc(-c4ccc(OC)c(OC)c4)n3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)Cn3nnc(-c4cccs4)n3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3cc4c(-c5ccc(Cl)cc5)nn(C)c4s3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3cc4c(-c5cccc(OC)c5)nn(C)c4s3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc(-n4nc(C)cc4C)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc(C)cc3Cl)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc(CNc4c(N5CCOCC5)c(=O)c4=O)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccc(OC)cc4)o3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)NC5CC4(C)Oc4ccccc45)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc(OCC4CCCO4)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc4c(=O)n(CC5CCCO5)c(=O)[nH]c4c3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3cccc(Cn4cc(Cl)cn4)c3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3cccc(N4C(=O)C5CC=CC(C)C5C4=O)c3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3cn(C)c(=O)c4c3c3ccccc3n4C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3cn(C4CCCC4)c(=O)c4c3c3ccccc3n4C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(=O)c3sc4nc(-c5ccc(F)cc5)cn4c3C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(CNC(=O)C3CCCCC3)c3cccnc3)CC2)cc1,1,100.0,0.0
+COc1ccc(N2CCN(C(CNC(=O)Oc3ccccc3)c3cccnc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(CNC(=O)c3ccc4c(c3)OCO4)c3cccnc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(CNC(=O)c3cccc(Cl)c3)c3cccnc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(CNC(=O)c3ccco3)c3cccnc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(CNS(=O)(=O)c3cc(F)ccc3F)c3cccnc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(CNS(=O)(=O)c3cccs3)c3cccnc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(c3cccc(OC)c3OC)c3nnnn3C3CCCC3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(c3ccccc3)c3nnnn3Cc3ccc(F)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(c3ccccc3)c3sc4nc(C)nn4c3O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(c3ccccc3OC)c3nnnn3C3CCCC3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(c3ccccc3OC)c3nnnn3Cc3ccco3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(c3ccco3)c3sc4nc(C)nn4c3O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(c3cccs3)C(C)NC(=O)c3ccco3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(c3cccs3)C(C)NS(=O)(=O)c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C(c3nnnn3CCc3ccccc3)C(C)C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C3CC(=O)N(C)C3=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C3CC(=O)N(Cc4ccc(N5CCCC5=O)cc4)C3=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C3CC(=O)N(c4ccc5c(c4)OCCO5)C3=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(C3CC(=O)NC3=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CC(=O)N3CCC(C)CC3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CC(=O)Nc3nc4c(s3)CC(C)CC4)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CC(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CC(O)c3c[nH]c4ccc(OC)cc34)CC2C)cc1,0,0.0,
+COc1ccc(N2CCN(CCCN)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCCNC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCCNC(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCCNC(=O)CC3Oc4ccc(C)cc4NC3=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCCNC(=O)CCCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCCNC(=O)CN3CCN(Cc4ccccc4C)C3=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCCNC(=O)c3cc4sccc4n3C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCCNS(=O)(=O)c3c(C)noc3/C=C/N(C)C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCNC(=O)C3CC(=O)N(C4CCCC4)C3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCNC(=O)CCCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCNC(=O)CCN3C(=O)COc4ccccc43)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCNC(=O)CCNS(=O)(=O)c3cccs3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCNC(=O)CCS(=O)(=O)c3cccc4nsnc34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCNC(=O)c3c(C)cc(=O)oc3C)CC2)cc1,1,100.0,1.0
+COc1ccc(N2CCN(CCNC(=O)c3ccc(NC(=O)C4CCCO4)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCNC(=O)c3cccn4c(=O)c5ccc(Cl)cc5nc34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCNC(=O)c3nnc(Cc4c(F)cccc4Cl)o3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(CCNS(=O)(=O)c3cccc4nsnc34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3cc(=O)oc4c3ccc3ccccc34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3cc(=O)oc4cc(-c5ccccc5)c(O)cc34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(Cl)c(C)c34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(Cl)cc34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3cc(=O)oc4cc5c(cc34)CCCC5)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(Cl)cc34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3cc(=O)oc4ccc5ccccc5c34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccc(C)c(Cl)c4)n3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3CC(C)=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3CCCc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(Cl)c3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3CCc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3cccc(C)c3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1,1,100.0,0.0
+COc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)NC4CCCC4)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)NCc4ccco4)cc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3cc(=O)n(Cc4ccc(F)cc4)c(=O)[nH]3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3cc(C)c4ccc(O)cc4n3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3ccc(N)cc3C#N)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3ccc(NC(=O)C4CCCCC4)cc3C#N)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C#N)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3nc(=S)n(-c4ccccc4)c(C)c3C(C)=O)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3nc(NC(C)(C)C)nc(N4CCCCC4)n3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3nc(NCCO)nc(N4CCOCC4)n3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3nc(NCCc4ccc(OC)c(OC)c4)nc(OC)n3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCCc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(C)c3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3Cl)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3CCCc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)cc3C)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3oc(-c4ccc(OC)c(OC)c4)nc3C#N)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3oc(-c4ccccc4OC)nc3C#N)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3oc(COc4ccc(Cl)cc4)nc3C#N)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3oc(COc4ccc(Cl)cc4Cl)nc3C#N)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3oc(COc4ccccc4)nc3C#N)CC2)cc1,0,0.0,
+COc1ccc(N2CCN(c3oc(COc4ccccc4Cl)nc3C#N)CC2)cc1,0,0.0,
+COc1ccc(N2CCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c(OC)c1,0,0.0,
+COc1ccc(N2CCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1,0,0.0,
+COc1ccc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,0,0.0,
+COc1ccc(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c(OC)c1,0,0.0,
+COc1ccc(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,0,0.0,
+COc1ccc(N2CSC3=C(C#N)C(c4cc(OC)c(OC)cc4OC)CC(=O)N3C2)c(OC)c1,0,0.0,
+COc1ccc(N2CSC3=C(C#N)C(c4cc(OC)ccc4OC)CC(=O)N3C2)c(OC)c1,0,0.0,
+COc1ccc(N2CSC3=C(C#N)C(c4ccc(OC)c(OC)c4)CC(=O)N3C2)c(OC)c1,0,0.0,
+COc1ccc(N2CSC3=C(C#N)C(c4cccc(OC)c4OC)CC(=O)N3C2)cc1,0,0.0,
+COc1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,0,0.0,
+COc1ccc(N2Cc3cccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c3C2=O)cc1,0,0.0,
+COc1ccc(N2Cc3cccc(C(=O)N4CCOCC4)c3C2=O)cc1,0,0.0,
+COc1ccc(N2Cc3cccc(C(=O)NC(C)CCc4ccco4)c3C2=O)cc1,0,0.0,
+COc1ccc(N2Cc3cccc(C(=O)O)c3C2=O)cc1,0,0.0,
+COc1ccc(N2Cc3ccccc3C2)cc1Cl,0,0.0,
+COc1ccc(N=C(C)C2=C(O)COC2=O)cc1,0,0.0,
+COc1ccc(N=C(C)c2c(O)n(C)c(=O)n(C)c2=O)c(OC)c1,0,0.0,
+COc1ccc(N=C(C)c2c(O)n(C3CCCCC3)c(=O)[nH]c2=O)c(OC)c1,0,0.0,
+COc1ccc(N=C(N(C)C)P(=O)(N(C)C)N(C)C)cc1,0,0.0,
+COc1ccc(N=C2C(=O)Nc3c(C)cccc32)cc1,0,0.0,
+COc1ccc(N=C2C(=O)Nc3ccccc32)cc1,1,100.0,0.0
+COc1ccc(N=C2CCCN2CC(N)=O)cc1,0,0.0,
+COc1ccc(N=C2SC(C(=O)Nc3ccc4c(c3)OCO4)CC(=O)N2C)cc1,0,0.0,
+COc1ccc(N=C2SC(C(=O)O)CC(=O)N2C)cc1,0,0.0,
+COc1ccc(N=C2SC(C(=O)O)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(N=C2SC(CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2C)cc1,0,0.0,
+COc1ccc(N=C2SC(CC(=O)Nc3ccccc3)C(=O)N2CC2CCCO2)cc1,0,0.0,
+COc1ccc(N=C2SCC(=O)N2c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(N=CC2=C(O)CC(C)(C)CC2=O)cc1,0,0.0,
+COc1ccc(N=CC2=C(O)CCCC2=O)cc1,0,0.0,
+COc1ccc(N=Cc2c(O)[nH]c3ccccc23)cc1OC,0,0.0,
+COc1ccc(N=c2oc3c(OC)cccc3cc2C(=O)NCc2ccco2)c(OC)c1,0,0.0,
+COc1ccc(N=c2oc3c(OC)cccc3cc2C(=O)NCc2ccco2)cc1OC,0,0.0,
+COc1ccc(N=c2oc3cc(O)ccc3cc2C(=O)NCC2CCCO2)c(OC)c1,0,0.0,
+COc1ccc(N=c2oc3cc(O)ccc3cc2C(=O)NCC2CCCO2)cc1,0,0.0,
+COc1ccc(N=c2scc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2CCCO)cc1,0,0.0,
+COc1ccc(NC(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccccc2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)C(C)Oc2ccc(/C(C)=N\O)cc2)cc1,0,0.0,
+COc1ccc(NC(=O)C(CC(=O)O)Cc2ccccc2)cc1,0,0.0,
+COc1ccc(NC(=O)C(CC(C)C)NC(=O)c2ccccc2C)cn1,0,0.0,
+COc1ccc(NC(=O)C(CCS(C)(=O)=O)NC(C)=O)cc1,0,0.0,
+COc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C(F)(OC)C(F)(F)F)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C(C)C)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C(c2ccc(C)cc2)N(C)C(=O)c2cnccn2)cc1,0,0.0,
+COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)CNC(C)=O)cc1,0,0.0,
+COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)c2cnccn2)cc1,0,0.0,
+COc1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)c2cnccn2)cc1,0,0.0,
+COc1ccc(NC(=O)C2(N(CC(C)C)C(=O)Cn3nnnc3N)CCCCC2)cc1,0,0.0,
+COc1ccc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1,0,0.0,
+COc1ccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc1,0,0.0,
+COc1ccc(NC(=O)C23CCC(C2)C(C)(C)C3=O)cc1,0,0.0,
+COc1ccc(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2=C(C)NC(=O)NC2c2cccc(OC)c2OC)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2=C(C)Nc3ncnn3C2c2ccccc2C(F)(F)F)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2C(=O)N(C)C3(C)CC2c2ccccc2O3)cc1,0,0.0,
+COc1ccc(NC(=O)C2C(=O)N(CCO)C3(C)CC2c2ccccc2O3)cc1,0,0.0,
+COc1ccc(NC(=O)C2C(=O)NC3(C)CC2c2ccccc2O3)cc1,0,0.0,
+COc1ccc(NC(=O)C2C3C=CC(C3)C2C(=O)NCc2ccco2)cc1,0,0.0,
+COc1ccc(NC(=O)C2C3C=CC4(CN(Cc5cccnc5)C(=O)C24)O3)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CC(=O)N(C)C(=Nc3ccc4c(c3)OCO4)S2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CC(=O)N(c3cc(C)ccc3C)C2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CC(=O)NC(Nc3cccc(C)c3)=N2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CC(=O)OC2(C)C)cc1,0,0.0,
+COc1ccc(NC(=O)C2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CC(c3ccc(OC)c(OC)c3)=NO2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CC2)cc1-n1cnnn1,0,0.0,
+COc1ccc(NC(=O)C2CCC(=O)N2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)cc1,0,0.0,
+COc1ccc(NC(=O)C2CCCCN2CC(=O)OCc2ccccc2)cc1OC,1,100.0,0.0
+COc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(F)cc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CCCN(C(=O)NC3CCCCC3)C2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CCCN(c3c4c(nc5ncnn35)CCC4)C2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CCCN(c3c4c(nc5ncnn35)CCC4)C2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CCCN2C(=O)NCc2ccccc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1,0,0.0,
+COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl,0,0.0,
+COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2CCCN2c2ccc(OC)c(OC)c2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CCCNC2)cc1OCC(C)C,0,0.0,
+COc1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)C2CSC3c4ccccc4C(=O)N23)cc1,0,0.0,
+COc1ccc(NC(=O)C2Cc3ccccc3C(=O)O2)cc1,0,0.0,
+COc1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccccc2)cn1,0,0.0,
+COc1ccc(NC(=O)C2OCCc3ccccc32)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)C2c3cc(OC)c(OC)cc3C(=O)N(C)C2c2cccnc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)C=C(C)C)cc1Cl,0,0.0,
+COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2OC)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CC(Cc2ccccc2)C(=O)O)cc1,0,0.0,
+COc1ccc(NC(=O)CC(NCCc2ccccc2)C(=O)O)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCN2CCN(C)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2C2CCCCC2)cc1,0,0.0,
+COc1ccc(NC(=O)CC2CCCCC2)cc1OC,0,0.0,
+COc1ccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1,0,0.0,
+COc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)cc1,0,0.0,
+COc1ccc(NC(=O)CC2SC(=NCc3ccccc3OC)NC2=O)cc1,0,0.0,
+COc1ccc(NC(=O)CC2SC(=Nc3ccccc3)NC2=O)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CC2Sc3ncnn3C2=O)cc1,0,0.0,
+COc1ccc(NC(=O)CCC2CCCC2)cc1OC,0,0.0,
+COc1ccc(NC(=O)CCC2COc3ccccc3O2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)cc1,0,0.0,
+COc1ccc(NC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1,0,0.0,
+COc1ccc(NC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(NC(=O)CCCN2C(=O)C3C4C=CC(C4)C3C2=O)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CCCN2C(=O)CCC2=O)cc1Cl,0,0.0,
+COc1ccc(NC(=O)CCCNS(=O)(=O)c2cccs2)cc1,0,0.0,
+COc1ccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1,0,0.0,
+COc1ccc(NC(=O)CCN2CCC(C)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)CCN2CCCC(C)C2)cc1,0,0.0,
+COc1ccc(NC(=O)CCN2CCCCC2)cc1,0,0.0,
+COc1ccc(NC(=O)CCN2CCCCCC2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CCNC(C)=O)cc1NS(=O)(=O)c1ccc(F)cc1,0,0.0,
+COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+COc1ccc(NC(=O)CCOc2ccccc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1,0,0.0,
+COc1ccc(NC(=O)CCc2ccccc2)cc1NC(=O)c1ccco1,0,0.0,
+COc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1,0,0.0,
+COc1ccc(NC(=O)CCn2cccc2)cc1,0,0.0,
+COc1ccc(NC(=O)CCn2nc(C)cc2C)cc1,0,0.0,
+COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c2ncccc12,0,0.0,
+COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1,0,0.0,
+COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1,0,0.0,
+COc1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1OC,0,0.0,
+COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,0,0.0,
+COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1OC,0,0.0,
+COc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)noc2C)cc1OC,0,0.0,
+COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1OC,0,0.0,
+COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1OC,0,0.0,
+COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC,0,0.0,
+COc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)cc1,0,0.0,
+COc1ccc(NC(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)cc1,0,0.0,
+COc1ccc(NC(=O)CN2C3CCC2CC(O)(c2cccnc2)C3)cc1OC,0,0.0,
+COc1ccc(NC(=O)CN2CC(c3ccccc3)CC2=O)cc1OC,0,0.0,
+COc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)CN2CCC(C)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)CN2CCC(n3c(C)nc4cc(F)ccc43)CC2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CN2CCC3(O)CCCCC3C2c2cc(OC)ccc2OC)cc1,0,0.0,
+COc1ccc(NC(=O)CN2CCC3(O)CCCCC3C2c2ccccc2OC)cc1,0,0.0,
+COc1ccc(NC(=O)CN2CCCCC2)cc1,0,0.0,
+COc1ccc(NC(=O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)cc1OC,0,0.0,
+COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1OC,0,0.0,
+COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1,0,0.0,
+COc1ccc(NC(=O)CNCCC2=CCCCC2)cc1,0,0.0,
+COc1ccc(NC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CNS(=O)(=O)c2cccc3nonc23)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)CNS(=O)(=O)c2cccs2)cc1,0,0.0,
+COc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1OC,0,0.0,
+COc1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)COC(=O)c2cnccn2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)COc2ccccc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)COc2ccccc2C#N)c(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+COc1ccc(NC(=O)COc2nc(N(C)C)nc(N(C)C)n2)cc1,0,0.0,
+COc1ccc(NC(=O)COc2nsnc2N2CCCCC2)cc1,0,0.0,
+COc1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)cc1OC,0,0.0,
+COc1ccc(NC(=O)C[S+]([O-])CC(=O)NC2CCCc3ccccc32)cc1,0,0.0,
+COc1ccc(NC(=O)C[S+]([O-])CC(=O)NCc2cccc(C(F)(F)F)c2)cc1,0,0.0,
+COc1ccc(NC(=O)C[S+]([O-])CC(=O)Nc2cc(Cl)ccc2OC)cc1,0,0.0,
+COc1ccc(NC(=O)C[S+]([O-])CC(=O)Nc2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSC2=NC(=O)CC(C)=N2)cc1,0,0.0,
+COc1ccc(NC(=O)CSC2CCCCC2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2[nH]c(=O)cc(C)c2C#N)cc1OC,0,0.0,
+COc1ccc(NC(=O)CSc2c(C)nn(-c3nnc(C)c(=O)[nH]3)c2C)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2ccccn2)cc1OC,0,0.0,
+COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2CC(=O)N2CCCC2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nc(NS(=O)(=O)c3ccccc3)cc(=O)[nH]2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nc(O)cc(=O)n2-c2ccccc2OC)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)cc1OC,0,0.0,
+COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)SCC3)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CN(C)CC3)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc3c(c2)OCO3)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)N2CCCCC2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nccc(C)n2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nccn2-c2cccc(OC)c2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nccn2-c2ccccc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2N)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2N)cc1OC,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1Cl,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1OC,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1OC,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC2CCCO2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CCc2ccccc2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(C(C)C)n2N)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(C3CC3)n2N)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccccc2OC)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1OC,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1OC,0,0.0,
+COc1ccc(NC(=O)CSc2nnc(N)s2)cc1,0,0.0,
+COc1ccc(NC(=O)CSc2nncs2)cc1OC,0,0.0,
+COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1NC(=O)c1ccco1,0,0.0,
+COc1ccc(NC(=O)Cc2nc3ccccc3[nH]2)cc1,0,0.0,
+COc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c2ncccc12,0,0.0,
+COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2C)cc1,0,0.0,
+COc1ccc(NC(=O)Cn2c(=O)sc3ccccc32)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)Cn2c(C)cc(=O)c3cccc(OC)c32)cc1,0,0.0,
+COc1ccc(NC(=O)Cn2cccc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)Cn2cccc2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)Cn2nc3n(c2=S)CCC3)cc1,0,0.0,
+COc1ccc(NC(=O)Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1,0,0.0,
+COc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1OC,0,0.0,
+COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1,0,0.0,
+COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1,0,0.0,
+COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1,0,0.0,
+COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccc(OC)c3)c2N)cc1,0,0.0,
+COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1Cl,0,0.0,
+COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3OC)c2N)cc1Cl,0,0.0,
+COc1ccc(NC(=O)Cn2nnc(C(N)=O)c2N)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)N(C2CCCCC2)C(C)c2cccnc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)N(C2CCCCC2)C(C)c2ccco2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)N(C2CCCCC2)C2CCN(C(C)C)CC2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)N(CCC(C)C)C(C)c2ccccn2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)N(CCCN(C)C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1,0,0.0,
+COc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccnc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)N(CCN2CCCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1,0,0.0,
+COc1ccc(NC(=O)N(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1,0,0.0,
+COc1ccc(NC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)CC2CCCO2)cc1,0,0.0,
+COc1ccc(NC(=O)N(Cc2ccc(C)cc2)Cc2ccccn2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccccc2Cl)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1OC,0,0.0,
+COc1ccc(NC(=O)N2CCC(NC(=O)c3ccco3)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)N2CCC(O)(c3cccnc3)CC2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)N2CCC(c3ccccc3)C2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)N2CCCC(c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1,0,0.0,
+COc1ccc(NC(=O)N2CCCC2)cc1OC,0,0.0,
+COc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(C)c(Cl)c2)cc1,0,0.0,
+COc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(NC(=O)N2CCCCC2)cc1,0,0.0,
+COc1ccc(NC(=O)N2CCCc3ccccc32)cc1,0,0.0,
+COc1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1OC,0,0.0,
+COc1ccc(NC(=O)N2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)N2CCn3c2nc2ccccc23)cc1,0,0.0,
+COc1ccc(NC(=O)N2c3ccccc3CC2C)cc1OC,0,0.0,
+COc1ccc(NC(=O)NC(C(F)(F)F)C(F)(F)F)cc1,0,0.0,
+COc1ccc(NC(=O)NC(C)c2ccncc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)NC2(C(=O)N3CCCCCC3)CCCCC2)cc1,0,0.0,
+COc1ccc(NC(=O)NCCCN2CCCC2=O)cc1,0,0.0,
+COc1ccc(NC(=O)NCCCN2CCCCC2C)cc1,0,0.0,
+COc1ccc(NC(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1,0,0.0,
+COc1ccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,0,0.0,
+COc1ccc(NC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc1,0,0.0,
+COc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1,0,0.0,
+COc1ccc(NC(=O)NCc2ccccn2)cc1OC,0,0.0,
+COc1ccc(NC(=O)NCc2cccn2C)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)NCc2cccnc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)Nc2c(C)n(-c3ccccc3)c(=O)n2C)cc1OC,0,0.0,
+COc1ccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0.0,
+COc1ccc(NC(=O)Nc2cc(C)ccc2OC(F)F)c(OC)c1,1,100.0,
+COc1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1,0,0.0,
+COc1ccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1,0,0.0,
+COc1ccc(NC(=O)Nc2ccc(C)cc2OC(F)F)cc1OC,0,0.0,
+COc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1,0,0.0,
+COc1ccc(NC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)cc1OC,0,0.0,
+COc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1,0,0.0,
+COc1ccc(NC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1OC,0,0.0,
+COc1ccc(NC(=O)Nc2cccc(C)n2)cc1,0,0.0,
+COc1ccc(NC(=O)Nc2cccc(OC)c2)cc1,0,0.0,
+COc1ccc(NC(=O)Nc2cccc3cccnc23)cc1,0,0.0,
+COc1ccc(NC(=O)Nc2ccccc2C(N)=O)cc1OC,0,0.0,
+COc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)Nc2cccs2)cc1OC,0,0.0,
+COc1ccc(NC(=O)Nc2nccs2)cc1,0,0.0,
+COc1ccc(NC(=O)Nc2ncn(Cc3cccc(C(F)(F)F)c3)n2)cc1OC,0,0.0,
+COc1ccc(NC(=O)Nc2nnc(C(C)C)s2)cc1,0,0.0,
+COc1ccc(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)cc1OC,0,0.0,
+COc1ccc(NC(=O)Nc2nnc(N3CCCCC3C)s2)cc1OC,0,0.0,
+COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3C3c4ccccc4C=CN32)cc1,0,0.0,
+COc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)N2Cc3ccccc3C2=O)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1Cl,1,100.0,
+COc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2c(C)cc(=O)oc2C)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2c(C)oc3c2CCCC3)cc1,0,0.0,
+COc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl,0,0.0,
+COc1ccc(NC(=O)c2c(NC(=O)CNCc3ccco3)sc3c2CCC3)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2c(NC(=O)CNCc3ccco3)sc3c2CCC3)cc1,0,0.0,
+COc1ccc(NC(=O)c2c(OC)cccc2OC)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2c(SC)nsc2SC)cc1,0,0.0,
+COc1ccc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)c2cc(-c3cc(C)ccc3O)n[nH]2)cc1Cl,0,0.0,
+COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cc(-c3ccccc3OC)on2)cc1,0,0.0,
+COc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cn1,0,0.0,
+COc1ccc(NC(=O)c2cc(C(C)(C)C)oc2C)cc1,0,0.0,
+COc1ccc(NC(=O)c2cc(C(C)C)on2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2cc(C(C)C)on2)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cc(C)on2)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cc(C3CC3)on2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cn1,0,0.0,
+COc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccco2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,0,0.0,
+COc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cn1,0,0.0,
+COc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=N)cc1,0,0.0,
+COc1ccc(NC(=O)c2cc3ccccn3n2)cc1,0,0.0,
+COc1ccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccc4c(c2)OCO4)N3)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)cc1,0,0.0,
+COc1ccc(NC(=O)c2ccc(-n3nc(C)c[n+]3[O-])cc2)cc1,0,0.0,
+COc1ccc(NC(=O)c2ccc(=O)oc2)cc1,0,0.0,
+COc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)cc1,0,0.0,
+COc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1,0,0.0,
+COc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1OC,1,100.0,0.0
+COc1ccc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)c2)cn1,1,100.0,0.0
+COc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1,0,0.0,
+COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1Cl,0,0.0,
+COc1ccc(NC(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1,0,0.0,
+COc1ccc(NC(=O)c2cccc(Cn3cc(Br)cn3)c2)cn1,0,0.0,
+COc1ccc(NC(=O)c2cccc(NC(=O)C3C4CC5OC(=O)C3C5C4)c2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2ccccc2C)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2ccccc2Cl)cc1NC(=O)CN1CCOCC1,0,0.0,
+COc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCO2)cc1,0,0.0,
+COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cccnc2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1,0,0.0,
+COc1ccc(NC(=O)c2ccco2)c(NC(=O)Cc2cccs2)c1,0,0.0,
+COc1ccc(NC(=O)c2ccco2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2ccco2)cc1N,0,0.0,
+COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1c(F)c(F)c(OC)c(F)c1F,0,0.0,
+COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc2ccccc2o1,0,0.0,
+COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Br)o1,0,0.0,
+COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C)cc1,0,0.0,
+COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(OC(C)C)c1,0,0.0,
+COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccnc1,0,0.0,
+COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccco1,0,0.0,
+COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccs1,0,0.0,
+COc1ccc(NC(=O)c2cccs2)cc1O,0,0.0,
+COc1ccc(NC(=O)c2cccs2)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cnc(C)cn2)c2ncccc12,0,0.0,
+COc1ccc(NC(=O)c2cnc3ccccn3c2=O)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1,0,0.0,
+COc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2cncc(Br)c2)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+COc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2coc3ccccc23)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccccc2C)cc1,0,0.0,
+COc1ccc(NC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2nnn(Cc3cccc(F)c3)c2N)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2oc3cc(C)c(C)cc3c2C)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3c2C)cc1,0,0.0,
+COc1ccc(NC(=O)c2oc3ccccc3c2C)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)cc1,0,0.0,
+COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1,0,0.0,
+COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2OC)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)c(OC)c2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)cc1,0,0.0,
+COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)c(OC)c1,0,0.0,
+COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1,0,0.0,
+COc1ccc(NC(=O)c2ocnc2C)cc1OC,0,0.0,
+COc1ccc(NC(=O)c2sc(SC)nc2N)cc1,0,0.0,
+COc1ccc(NC(C)=O)c2nc(C)c(C)nc12,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(=O)CCn1c(=O)sc2ccccc21,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(c2ccccn2)CC1,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc2ncccc2[nH]1,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccc2)n1N,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccn2)n1C,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2cccnc2)n1C,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccncc2)n1C,0,0.0,
+COc1ccc(NC(C)=O)cc1NC(C)C(=O)Nc1ccccc1F,0,0.0,
+COc1ccc(NC(C)c2cc(Cl)ccc2O)cc1,0,0.0,
+COc1ccc(NC2=C(C)C(=O)CC2)cc1,0,0.0,
+COc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1OC,0,0.0,
+COc1ccc(NC2=NC3(CCCCC3)N=C(N)N2)cc1,0,0.0,
+COc1ccc(NC2=NCC(=O)N2c2ccccc2)c(OC)c1,0,0.0,
+COc1ccc(NC2=NCC(=O)N2c2ccccc2F)c(OC)c1,0,0.0,
+COc1ccc(NC2=NCCC(=O)N2Cc2cccs2)cc1,0,0.0,
+COc1ccc(NC2=Nc3ccccc3CC2)cc1,0,0.0,
+COc1ccc(NC2C=CS(=O)(=O)C2)c(OC)c1,0,0.0,
+COc1ccc(NC2CC(=O)N(C(C)C)C2=O)cc1,0,0.0,
+COc1ccc(NC2CC(=O)N(C)C2=O)cc1,0,0.0,
+COc1ccc(NC2CC(=O)N(c3cccc(C)c3)C2=O)cc1,0,0.0,
+COc1ccc(NC2CC(=O)N(c3ccccc3)C2=O)cc1,0,0.0,
+COc1ccc(NC2CC(=O)NC2=O)cc1,0,0.0,
+COc1ccc(NC2CCN(C3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1,0,0.0,
+COc1ccc(NC2CCN(CCc3ccccc3)CC2)c(OC)c1,0,0.0,
+COc1ccc(NC2CS(=O)(=O)CC2NCc2ccco2)cc1,0,0.0,
+COc1ccc(NC2CS(=O)(=O)CC2OC(=O)c2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(NC2SC(=O)N(CC(=O)O)C2=O)cc1,0,0.0,
+COc1ccc(NC2c3ccccc3C(=O)N2Cc2ccco2)cc1OC,0,0.0,
+COc1ccc(NC2c3ccccc3C(=O)N2c2cccnc2)cc1Cl,0,0.0,
+COc1ccc(NC2c3ncccc3C(=O)N2Cc2ccccc2)c(OC)c1,0,0.0,
+COc1ccc(NCC(=O)Nc2ccc(Cl)cc2C)c(OC)c1,0,0.0,
+COc1ccc(NCCNc2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1,0,0.0,
+COc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1,0,0.0,
+COc1ccc(NCc2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(NCc2ccc3c(c2)OCO3)cc1Cl,0,0.0,
+COc1ccc(NCc2n[nH]nc2-c2ccccc2)cc1Cl,0,0.0,
+COc1ccc(NCc2nnc(SCC#N)n2-c2ccccc2OC)cc1,0,0.0,
+COc1ccc(NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2C)cc1,0,0.0,
+COc1ccc(NCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)cc1,0,0.0,
+COc1ccc(NCc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1,0,0.0,
+COc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc1,0,0.0,
+COc1ccc(NCc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1,0,0.0,
+COc1ccc(NCc2nnc(SCC(=O)c3ccc(OC)cc3)n2C)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)Cc2ccccc2Cl)cn1,0,0.0,
+COc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c(OC)c1,0,0.0,
+COc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1OC,0,0.0,
+COc1ccc(NS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2cc(C)ccc2NC(=O)c2cc(C)oc2C)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1OC,0,0.0,
+COc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=O)c2cc(C)oc2C)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1OC,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(N)c(C(=O)O)c2)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc2)nn1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nn1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)OCC(=O)N3CC(C)OC(C)C3)c2)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(OC)c3ccccc23)cn1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(Oc3ncccn3)cc2)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cn1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(OC)c1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc3oc(Nc4ccc5c(c4)OCCO5)nc3c2)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cn1,0,0.0,
+COc1ccc(NS(=O)(=O)c2cccc(-c3nnc4n3CCCCC4)c2)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1,0,0.0,
+COc1ccc(NS(=O)(=O)c2cccs2)c(OC)c1,0,0.0,
+COc1ccc(NS(=O)(=O)c2coc(C(N)=O)c2)cc1Cl,0,0.0,
+COc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)c(OC)c1,0,0.0,
+COc1ccc(Nc2cc(C(=O)NCCCN3CCN(C)CC3)c3ccccc3n2)c(OC)c1,0,0.0,
+COc1ccc(Nc2cc(C(=O)NCCCN3CCN(C)CC3)c3ccccc3n2)cc1,0,0.0,
+COc1ccc(Nc2cc(C(=O)NCCCN3CCN(C)CC3)c3ccccc3n2)cc1OC,0,0.0,
+COc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,0,0.0,
+COc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1,0,0.0,
+COc1ccc(Nc2cc(C)nc3ccccc23)cc1,0,0.0,
+COc1ccc(Nc2cc(C)nc3nc(C)nn23)c(OC)c1,0,0.0,
+COc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1Cl,0,0.0,
+COc1ccc(Nc2cc(C)nc3ncnn23)c(OC)c1,0,0.0,
+COc1ccc(Nc2ccc(-c3ccccc3F)nn2)c(OC)c1,0,0.0,
+COc1ccc(Nc2ccc3c(c2)=NC2(CCCCC2)[N+]=3[O-])cc1,0,0.0,
+COc1ccc(Nc2ccccc2)c(C)c1,0,0.0,
+COc1ccc(Nc2cccccc2=O)cc1,0,0.0,
+COc1ccc(Nc2ccnc3ccccc23)cc1,1,100.0,
+COc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1,0,0.0,
+COc1ccc(Nc2nc(C(=O)NCCCN3CCOCC3)cs2)cc1,0,0.0,
+COc1ccc(Nc2nc(C)c3ccccc3n2)cc1,0,0.0,
+COc1ccc(Nc2nc(C)cc(C)c2C#N)cc1,0,0.0,
+COc1ccc(Nc2nc(C)cc(C)c2C#N)cc1OC,0,0.0,
+COc1ccc(Nc2nc(C)cc(C)c2C(N)=O)c(OC)c1,0,0.0,
+COc1ccc(Nc2nc(CC(C)=O)ns2)cc1OC,0,0.0,
+COc1ccc(Nc2nc(N)nc(C(F)(F)F)n2)c(OC)c1,0,0.0,
+COc1ccc(Nc2nc(N)nc(CN3CCC(Cc4ccccc4)CC3)n2)cc1,1,100.0,1.0
+COc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccn4)CC3)n2)cc1,0,0.0,
+COc1ccc(Nc2nc(N)nc(CN3CCOCC3)n2)cc1,0,0.0,
+COc1ccc(Nc2nc(N)nc(CN3CCc4ccccc4C3)n2)cc1,0,0.0,
+COc1ccc(Nc2nc(N)nc(CSc3n[nH]c(-c4ccccc4)n3)n2)cc1,0,0.0,
+COc1ccc(Nc2nc(N)nc(CSc3nnnn3C)n2)cc1,0,0.0,
+COc1ccc(Nc2nc(N)nc(SCc3nnc(C)s3)n2)cc1,0,0.0,
+COc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1,0,0.0,
+COc1ccc(Nc2nc(N3CCCC3)nc3ccccc23)c(OC)c1,1,100.0,1.0
+COc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OC)c1,0,0.0,
+COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(-n3[nH]c(=O)c(C)c3C)n2)cc1,0,0.0,
+COc1ccc(Nc2nc(OC)nc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1,0,0.0,
+COc1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CCO)cc1,0,0.0,
+COc1ccc(Nc2nc3ccccc3c(=O)s2)c(OC)c1,0,0.0,
+COc1ccc(Nc2nc3ccccc3nc2C)cc1,0,0.0,
+COc1ccc(Nc2ncc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc23)cc1,0,0.0,
+COc1ccc(Nc2ncc3c(n2)CC(c2ccc(OC)cc2)CC3=O)cc1,0,0.0,
+COc1ccc(Nc2ncc3c(n2)CC(c2ccccc2)CC3=O)cc1,0,0.0,
+COc1ccc(Nc2nccc3c2nnn3C)cc1,0,0.0,
+COc1ccc(Nc2ncccc2C(=O)Nc2ccccc2)cc1,0,0.0,
+COc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1OC,0,0.0,
+COc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1OC,0,0.0,
+COc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1,0,0.0,
+COc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1OC,0,0.0,
+COc1ccc(Nc2ncnc3c2oc2ccccc23)cc1,0,0.0,
+COc1ccc(Nc2ncnc3nc[nH]c23)cc1OC,0,0.0,
+COc1ccc(Nc2nnc(C)c3ccccc23)cc1C(N)=O,0,0.0,
+COc1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)c(OC)c1,0,0.0,
+COc1ccc(Nc2nnc(Cc3ccccc3)c(=O)[nH]2)c(OC)c1,0,0.0,
+COc1ccc(Nc2nnc(Cc3ccccc3Cl)c(=O)[nH]2)cc1,0,0.0,
+COc1ccc(Nc2oc(-c3ccccc3Cl)nc2C#N)cc1,0,0.0,
+COc1ccc(Nc2oc(-c3cccs3)nc2C#N)cc1,0,0.0,
+COc1ccc(Nc2oc(COc3ccc(Cl)cc3)nc2C#N)cc1,0,0.0,
+COc1ccc(Nc2oc(COc3cccc(C)c3)nc2C#N)cc1,0,0.0,
+COc1ccc(Nc2oc(COc3ccccc3F)nc2C#N)cc1,0,0.0,
+COc1ccc(O)c(-c2[nH]ncc2C(=O)c2ccccc2)c1,0,0.0,
+COc1ccc(O)c(-c2[nH]ncc2C(=O)c2ccccc2C)c1,0,0.0,
+COc1ccc(O)c(-c2c(-c3ccc(Cl)cc3)n[nH]c2C)c1,0,0.0,
+COc1ccc(O)c(-c2cc(-c3cccc(Br)c3)n[nH]2)c1,0,0.0,
+COc1ccc(O)c(-c2cc(-c3cccs3)[nH]n2)c1,0,0.0,
+COc1ccc(O)c(-c2cn[nH]c2-c2cccs2)c1,0,0.0,
+COc1ccc(O)c(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)c1,0,0.0,
+COc1ccc(O)c(C(=O)CC(=O)c2ccc(F)cc2)c1,0,0.0,
+COc1ccc(O)c(C(=O)CC(=O)c2ccccc2)c1,0,0.0,
+COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1,0,0.0,
+COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(CCN3CCOCC3)c2)c1,0,0.0,
+COc1ccc(O)c(C(=O)c2cnc3onc(C(C)C)c3c2)c1,0,0.0,
+COc1ccc(O)c(C(=O)c2cnc3onc(C)c3c2)c1,0,0.0,
+COc1ccc(O)c(C(=O)c2cnn(C(=O)c3cc(C)oc3C)c2)c1,0,0.0,
+COc1ccc(O)c(C2NC(CC(C)C)(C(=O)O)C3C(=O)N(Cc4ccccc4)C(=O)C23)c1,0,0.0,
+COc1ccc(O)c(C=Nc2cc(C)on2)c1,0,0.0,
+COc1ccc(O)c(CN2CCN(C/C=C/c3ccccc3)CC2)c1,1,100.0,1.0
+COc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+COc1ccc(OC(=O)c2cc3ccccc3o2)cc1,0,0.0,
+COc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1,0,0.0,
+COc1ccc(OC(=O)c2ccncc2)cc1,0,0.0,
+COc1ccc(OC(C)=O)c(C2c3cc(OC)c(OC)cc3CCN2C(C)=O)c1,0,0.0,
+COc1ccc(OC(C)C(=O)N2CC(C)OC(C)C2)cc1,0,0.0,
+COc1ccc(OC(C)C(=O)N2CCN(c3ccccn3)CC2)cc1,0,0.0,
+COc1ccc(OC(C)C(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(OC(C)C(=O)N2CCc3ccccc3C2)cc1,0,0.0,
+COc1ccc(OC(C)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1,0,0.0,
+COc1ccc(OC(C)C(=O)NCc2cccnc2)cc1,0,0.0,
+COc1ccc(OC(C)C(=O)Nc2cccc(OC)c2)cc1,0,0.0,
+COc1ccc(OC)c(-c2[nH]nc3c2C(c2ccco2)C(C#N)=C(N)O3)c1,0,0.0,
+COc1ccc(OC)c(-c2c[n+](=O)c3c(n2[O-])CCCC3)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)N3CCCc4ccccc43)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)N3CCc4ccccc4C3)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)NCCCn3ccnc3)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)NCCN3CCOCC3)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)NCc3ccco3)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)NCc3cccs3)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C)on3)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)c1,0,0.0,
+COc1ccc(OC)c(-c2csc(N(Cc3ccco3)C(=O)c3cccs3)n2)c1,0,0.0,
+COc1ccc(OC)c(-c2csc3nnc(SCC(=O)Nc4ccc(NC(C)=O)cc4)n23)c1,0,0.0,
+COc1ccc(OC)c(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(F)cc4)c3n2)c1,0,0.0,
+COc1ccc(OC)c(-c2nc(C)sc2CC(=O)O)c1,0,0.0,
+COc1ccc(OC)c(-c2nc3c(C)n[nH]c(=O)c3[nH]2)c1,0,0.0,
+COc1ccc(OC)c(-c2nnc(-c3ccc(C)o3)o2)c1,0,0.0,
+COc1ccc(OC)c(-c2nnc(NC(=O)C(C)Sc3nncn3C)s2)c1,0,0.0,
+COc1ccc(OC)c(-c2nnc(SCC(=O)NC3CCCCC3)o2)c1,0,0.0,
+COc1ccc(OC)c(-c2oc3ccccc3c(=O)c2O)c1,0,0.0,
+COc1ccc(OC)c(-n2c(-c3cccc(O)c3)n[nH]c2=S)c1,0,0.0,
+COc1ccc(OC)c(-n2c(C)nc3cc(C(=O)O)ccc32)c1,0,0.0,
+COc1ccc(OC)c(-n2c(CN3CCC(C(N)=O)CC3)nc3ccccc3c2=O)c1,0,0.0,
+COc1ccc(OC)c(-n2c(N)c(C(=O)NCC3CCCO3)c3nc4ccccc4nc32)c1,0,0.0,
+COc1ccc(OC)c(-n2c(O)c(C=NCc3ccc4c(c3)OCO4)c(=O)[nH]c2=O)c1,0,0.0,
+COc1ccc(OC)c(-n2c(O)cnc2Nc2nc(C)cc(C)n2)c1,0,0.0,
+COc1ccc(OC)c(-n2c(SC)nnc2-c2c[nH]c3ccccc23)c1,0,0.0,
+COc1ccc(OC)c(-n2c(SCC(=O)N3CCc4ccccc43)nc3c(c2=O)SCC3)c1,0,0.0,
+COc1ccc(OC)c(-n2c(SCC(=O)NCc3ccco3)nnc2-c2c[nH]c3ccccc23)c1,0,0.0,
+COc1ccc(OC)c(-n2c(SCC(=O)Nc3cc(C)on3)nnc2-c2c[nH]c3ccccc23)c1,0,0.0,
+COc1ccc(OC)c(-n2c(SCC(C)=O)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1,0,0.0,
+COc1ccc(OC)c(-n2c(SCC(N)=O)nnc2-c2c[nH]c3ccccc23)c1,0,0.0,
+COc1ccc(OC)c(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1,0,0.0,
+COc1ccc(OC)c(-n2cnc3cc(C(=O)NCCCN4CCOCC4)ccc32)c1,0,0.0,
+COc1ccc(OC)c(-n2cnc3cc(C(=O)O)ccc32)c1,0,0.0,
+COc1ccc(OC)c(-n2cnnn2)c1,0,0.0,
+COc1ccc(OC)c(-n2nnnc2SCC(=O)NCCc2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(-n2nnnc2SCC(=O)NCc2ccc3c(c2)OCO3)c1,0,0.0,
+COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1,0,0.0,
+COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1,0,0.0,
+COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2nc(C)c(C)s2)c1,0,0.0,
+COc1ccc(OC)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1,0,0.0,
+COc1ccc(OC)c(/C=c2\sc3nc(-c4cccs4)nn3c2=O)c1,0,0.0,
+COc1ccc(OC)c(C(=O)C2COC(=O)C2)c1,0,0.0,
+COc1ccc(OC)c(C(=O)CC2OC(=O)c3ccccc32)c1,0,0.0,
+COc1ccc(OC)c(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)c1,0,0.0,
+COc1ccc(OC)c(C(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1,0,0.0,
+COc1ccc(OC)c(C(=O)COC(=O)C2CC3CCCC(C2)C3=O)c1,0,0.0,
+COc1ccc(OC)c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1,0,0.0,
+COc1ccc(OC)c(C(=O)COC(=O)c2c(OC)cccc2OC)c1,0,0.0,
+COc1ccc(OC)c(C(=O)COC(=O)c2cc(C)oc2C)c1,0,0.0,
+COc1ccc(OC)c(C(=O)COC(=O)c2ccc(C)o2)c1,0,0.0,
+COc1ccc(OC)c(C(=O)COC(=O)c2ccccc2O)c1,0,0.0,
+COc1ccc(OC)c(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)c1,0,0.0,
+COc1ccc(OC)c(C(=O)CSc2nc3ncccc3[nH]2)c1,0,0.0,
+COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)c1,0,0.0,
+COc1ccc(OC)c(C(=O)CSc2nnc(-c3cccnc3)n2C)c1,0,0.0,
+COc1ccc(OC)c(C(=O)CSc2nnc(-c3cccs3)n2C)c1,0,0.0,
+COc1ccc(OC)c(C(=O)CSc2nnc(-c3cccs3)o2)c1,0,0.0,
+COc1ccc(OC)c(C(=O)CSc2nnc(Cc3cccs3)n2C)c1,0,0.0,
+COc1ccc(OC)c(C(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)c1,0,0.0,
+COc1ccc(OC)c(C(=O)CSc2nnnn2C)c1,0,0.0,
+COc1ccc(OC)c(C(=O)Cn2nnc3ccccc3c2=O)c1,0,0.0,
+COc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCCCC3)cc2)c1,0,0.0,
+COc1ccc(OC)c(C(=O)c2ccc(C(=O)O)cc2)c1,0,0.0,
+COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)c1,0,0.0,
+COc1ccc(OC)c(C(=O)c2coc3ccc(O)cc23)c1,0,0.0,
+COc1ccc(OC)c(C(=O)c2coc3ccc(OC)cc23)c1,0,0.0,
+COc1ccc(OC)c(C(=O)c2nc3c(n2O)CCCCC3)c1,0,0.0,
+COc1ccc(OC)c(C(=O)c2oc3ccccc3c2NC(C)=O)c1,0,0.0,
+COc1ccc(OC)c(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C(C)C)c1,0,0.0,
+COc1ccc(OC)c(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C2CC2)c1,0,0.0,
+COc1ccc(OC)c(C(C)NC(=O)c2ccco2)c1,0,0.0,
+COc1ccc(OC)c(C(C)NC(C)=O)c1,0,0.0,
+COc1ccc(OC)c(C(C)NC=O)c1,0,0.0,
+COc1ccc(OC)c(C(O)C(C)N)c1,0,0.0,
+COc1ccc(OC)c(C(O)c2coc3ccc(O)c(CN4CCOCC4)c23)c1,0,0.0,
+COc1ccc(OC)c(C(O)c2nc3ccccc3n2C(C)C)c1,0,0.0,
+COc1ccc(OC)c(C(c2nnnn2C(C)(C)C)N2CCc3ccccc3C2)c1,0,0.0,
+COc1ccc(OC)c(C(c2nnnn2C2CCCC2)N2CCN(c3ccc(F)cc3)CC2)c1,0,0.0,
+COc1ccc(OC)c(C(c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)c1,0,0.0,
+COc1ccc(OC)c(C(c2nnnn2C2CCCC2)N2CCN(c3ccccc3F)CC2)c1,0,0.0,
+COc1ccc(OC)c(C(c2nnnn2C2CCCC2)N2CCc3ccccc3C2)c1,0,0.0,
+COc1ccc(OC)c(C(c2nnnn2CC2CCCO2)N2CCN(C)CC2)c1,0,0.0,
+COc1ccc(OC)c(C(c2nnnn2CC2CCCO2)N2CCN(C3CCCC3)CC2)c1,0,0.0,
+COc1ccc(OC)c(C(c2nnnn2CCc2ccccc2)N2CCC(C(N)=O)CC2)c1,0,0.0,
+COc1ccc(OC)c(C(c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)c1,0,0.0,
+COc1ccc(OC)c(C(c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)c1,0,0.0,
+COc1ccc(OC)c(C(c2nnnn2Cc2ccccc2)N2CCN(C)CC2)c1,0,0.0,
+COc1ccc(OC)c(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1,0,0.0,
+COc1ccc(OC)c(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c1,0,0.0,
+COc1ccc(OC)c(C2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)c1,0,0.0,
+COc1ccc(OC)c(C2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN(C)C)c1,1,100.0,
+COc1ccc(OC)c(C2/C(=C(\O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)c1,0,0.0,
+COc1ccc(OC)c(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c1,0,0.0,
+COc1ccc(OC)c(C2=C[N+](=O)C(C)(C)C(C)(C)N2[O-])c1,0,0.0,
+COc1ccc(OC)c(C2=NOC(C(=O)N3CCC4(CC3)OCCO4)C2)c1,0,0.0,
+COc1ccc(OC)c(C2=NOC(C(=O)NCC3CCCO3)C2)c1,0,0.0,
+COc1ccc(OC)c(C2=NOC(C(=O)NCCN3CCOCC3)C2)c1,0,0.0,
+COc1ccc(OC)c(C2=NOC(C(=O)NCc3ccccn3)C2)c1,0,0.0,
+COc1ccc(OC)c(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1,0,0.0,
+COc1ccc(OC)c(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1,0,0.0,
+COc1ccc(OC)c(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1,0,0.0,
+COc1ccc(OC)c(C2=NOC(C(=O)Nc3cccnc3)C2)c1,0,0.0,
+COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cc(Cl)ccc4OC)C(=O)[C@H]23)c1,0,0.0,
+COc1ccc(OC)c(C2=Nn3c(nnc3-c3cc(OC)c(OC)c(OC)c3)SC2)c1,0,0.0,
+COc1ccc(OC)c(C2=Nn3c(nnc3-c3cccc(OC(C)C)c3)SC2)c1,0,0.0,
+COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccco3)SC2)c1,0,0.0,
+COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccncc3)SC2)c1,0,0.0,
+COc1ccc(OC)c(C2=Nn3c(nnc3C3CCCCC3)SC2)c1,0,0.0,
+COc1ccc(OC)c(C2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c1,0,0.0,
+COc1ccc(OC)c(C2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)c1,0,0.0,
+COc1ccc(OC)c(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1,0,0.0,
+COc1ccc(OC)c(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c1,0,0.0,
+COc1ccc(OC)c(C2C(C#N)=C(N)Oc3cc(N)ccc32)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(=O)N(C)C)=C(C)Nc3nc4ccccc4n32)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc(CCCO)nn32)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(CCCO)nn32)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(=O)O)c3ccccc3C(=O)N2C)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2CCC(=O)O)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(N)=O)=C(C)Nc3nc(-c4cccc(Cl)c4)nn32)c1,0,0.0,
+COc1ccc(OC)c(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)c1,0,0.0,
+COc1ccc(OC)c(C2C3=C(CCCC3=O)Nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1ccc(OC)c(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)c1,0,0.0,
+COc1ccc(OC)c(C2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)c1,0,0.0,
+COc1ccc(OC)c(C2C3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1,0,0.0,
+COc1ccc(OC)c(C2C=C(c3ccc(C)c(C)c3)Nc3nnnn32)c1,0,0.0,
+COc1ccc(OC)c(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(O)c(OC)c2)c1,0,0.0,
+COc1ccc(OC)c(C2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)c1,0,0.0,
+COc1ccc(OC)c(C2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)c1,0,0.0,
+COc1ccc(OC)c(C2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1,0,0.0,
+COc1ccc(OC)c(C2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)c1,0,0.0,
+COc1ccc(OC)c(C2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1,0,0.0,
+COc1ccc(OC)c(C2CC(=O)NC(SC)=C2C#N)c1,0,0.0,
+COc1ccc(OC)c(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1,0,0.0,
+COc1ccc(OC)c(C2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)c1,0,0.0,
+COc1ccc(OC)c(C2CC(=O)c3c([nH]c(C(=O)OCC4CCCO4)c3C)C2)c1,0,0.0,
+COc1ccc(OC)c(C2N(c3cc(C)on3)C(=O)C3CCCN32)c1,0,0.0,
+COc1ccc(OC)c(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)c1,0,0.0,
+COc1ccc(OC)c(C2N(c3ccccn3)C(=O)C3CCCN32)c1,0,0.0,
+COc1ccc(OC)c(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1,0,0.0,
+COc1ccc(OC)c(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2C)c1,0,0.0,
+COc1ccc(OC)c(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)c1,0,0.0,
+COc1ccc(OC)c(C2SCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)c1,0,0.0,
+COc1ccc(OC)c(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1,0,0.0,
+COc1ccc(OC)c(CC(=O)O)c1,0,0.0,
+COc1ccc(OC)c(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)c1,0,0.0,
+COc1ccc(OC)c(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)c1,0,0.0,
+COc1ccc(OC)c(CCNC(=O)CC2Oc3ccc(C)cc3NC2=O)c1,0,0.0,
+COc1ccc(OC)c(CCNC(=O)CC2Oc3ccccc3NC2=O)c1,0,0.0,
+COc1ccc(OC)c(CCNC(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)c1,0,0.0,
+COc1ccc(OC)c(CCNC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)c1,0,0.0,
+COc1ccc(OC)c(CCNC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)c1,0,0.0,
+COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1,0,0.0,
+COc1ccc(OC)c(CN(CCCN2CCOCC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1,0,0.0,
+COc1ccc(OC)c(CN2C(=O)CCC2(C)C(=O)NC2CCCCCC2)c1,0,0.0,
+COc1ccc(OC)c(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)c1,0,0.0,
+COc1ccc(OC)c(CN2CCCC(C(=O)N3CCCCC3)C2)c1,0,0.0,
+COc1ccc(OC)c(CN2CCN(C(=O)COc3cccc(C)c3)CC2)c1,0,0.0,
+COc1ccc(OC)c(CN2CCN(C(=O)c3cccc4ccccc34)CC2)c1,0,0.0,
+COc1ccc(OC)c(CN2CCN(C(=O)c3cccs3)CC2)c1,0,0.0,
+COc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,0,0.0,
+COc1ccc(OC)c(CNC(=O)C2CCCN(C(=O)N(C)C)C2)c1,0,0.0,
+COc1ccc(OC)c(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)c1,0,0.0,
+COc1ccc(OC)c(CNC(=O)C2CCN(C(=O)N(C)C)CC2)c1,1,100.0,0.0
+COc1ccc(OC)c(CNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)c1,0,0.0,
+COc1ccc(OC)c(CNC(=O)CCN2C(=O)COc3ccccc32)c1,0,0.0,
+COc1ccc(OC)c(CNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)c1,0,0.0,
+COc1ccc(OC)c(CNC(=O)CCc2nc(-c3cccs3)no2)c1,0,0.0,
+COc1ccc(OC)c(CNC(=O)COc2cc(=O)n(C)c3ccccc23)c1,0,0.0,
+COc1ccc(OC)c(CNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)c1,0,0.0,
+COc1ccc(OC)c(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1,0,0.0,
+COc1ccc(OC)c(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(C)(=O)=O)c1,0,0.0,
+COc1ccc(OC)c(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(C)cc2)c1,0,0.0,
+COc1ccc(OC)c(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1,0,0.0,
+COc1ccc(OC)c(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c1,0,0.0,
+COc1ccc(OC)c(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1,0,0.0,
+COc1ccc(OC)c(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(C)(=O)=O)c1,0,0.0,
+COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1,0,0.0,
+COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1,0,0.0,
+COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1,0,0.0,
+COc1ccc(OC)c(N)c1,0,0.0,
+COc1ccc(OC)c(N/C(=N\c2nc(C)cc(C)n2)NC(=O)c2ccco2)c1,0,0.0,
+COc1ccc(OC)c(N/C(C)=C/C(=O)c2ccc(C)o2)c1,0,0.0,
+COc1ccc(OC)c(N/C=C2/CCCCC2=O)c1,0,0.0,
+COc1ccc(OC)c(N2C(=O)C(Cl)=C(N3CCCCC3)C2=O)c1,0,0.0,
+COc1ccc(OC)c(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1,0,0.0,
+COc1ccc(OC)c(N2C(=O)CC(C(C)c3ccccc3)C2=O)c1,0,0.0,
+COc1ccc(OC)c(N2C(=O)CC(Cc3ccc(C)cc3)C2=O)c1,0,0.0,
+COc1ccc(OC)c(N2C(=O)NC(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)c1,0,0.0,
+COc1ccc(OC)c(N2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)c1,0,0.0,
+COc1ccc(OC)c(N2C(=O)[C@@H]3C(c4ccccc4Cl)=NO[C@@H]3C2=O)c1,0,0.0,
+COc1ccc(OC)c(N2C(N)=C(C#N)C(c3ccc(OC)c(O)c3)C3=C2CC(C)(C)CC3=O)c1,0,0.0,
+COc1ccc(OC)c(N2C(N)=NC(N)=NC23CCCC3)c1,0,0.0,
+COc1ccc(OC)c(N2Cc3cc(C)c(C)cc3C2)c1,0,0.0,
+COc1ccc(OC)c(N=C(C)C2=C(O)COC2=O)c1,0,0.0,
+COc1ccc(OC)c(N=C2C(=O)Nc3ccccc32)c1,0,0.0,
+COc1ccc(OC)c(N=CC2=C(O)CC(C)(C)CC2=O)c1,0,0.0,
+COc1ccc(OC)c(N=Cc2c(O)[nH]c3ccccc23)c1,0,0.0,
+COc1ccc(OC)c(N=c2oc3c(OC)cccc3cc2C(=O)NCc2ccco2)c1,0,0.0,
+COc1ccc(OC)c(N=c2oc3cc(O)ccc3cc2C(N)=O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C(CC(=O)O)NCc2ccco2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C(CC(C)C)NC(=O)C2CCCCC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C(CCS(C)(=O)=O)NC(C)=O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3C2c2cccs2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2C3C=CC(C3)C2C(=O)NCc2ccccn2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2C3CC4OC(=O)C2C4C3)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2C3CCC(C3=C(C)C)C2C(=O)O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2C3CCC(O3)C2C(=O)O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CC(=O)N(c3ccccc3)C2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CC(=O)n3ncnc3N2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CC(C)=C(C)CC2C(=O)O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCC(CNc3c(N4CCC(C)CC4)c(=O)c3=O)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCCC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCCCC2C(=O)O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCCN2C(=O)C2CCC(C)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCCN2C(=O)OCc2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCCNC2=O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2CCN(c3ncccn3)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)C2COc3ccccc3O2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CC(NCCC2=CCCCC2)C(=O)O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CCC(=O)Nc2nnc(C(F)(F)F)s2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CCCN2C(=O)C3C4C=CC(C4)C3C2=O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CCN2CCC(C)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CCN2CCCC(C)C2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CCN2CCCCC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CCN2CCN(Cc3ccccc3)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CCN2CCN(c3ccccc3)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2cccs2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CCn2cccc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CNC(=O)Cn2ccc3ccccc3c2=O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CS(=O)(=O)c2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSC2=NCCS2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSCC(=O)O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nc(C)cs2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nc(N)c(-c3ccccc3)c(=O)[nH]2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2ncccc2C(=O)O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(C(=O)O)cc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnc(CCCO)n2-c2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnc(N)s2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccccc2F)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)Cc2coc3ccc(C)cc23)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)Cn2c(-c3ccc(Cl)cc3)noc2=O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)Cn2c(=O)oc3ccccc32)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)Cn2c(CCC(=O)O)ccc2-c2cccs2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)Cn2cc(C#N)c3ccccc32)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)Cn2cccc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)NCc2ccc(F)cc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)Nc2ccccc2C)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2c(NC(=O)CNCc3ccco3)sc3c2CCC3)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2F)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2cc3ccccc3o2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccc4c(c2)OCO4)N3)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2cc3sccc3n2C)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2ccc(NC(C)=O)cc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2cnc3ccccn3c2=O)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2cnc3n(c2=O)CCS3)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2nnn(CCc3ccccc3)c2N)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1,0,0.0,
+COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccccc3C)c2N)c1,0,0.0,
+COc1ccc(OC)c(NC2=NC3(CCCC3)N=C(N)N2)c1,0,0.0,
+COc1ccc(OC)c(NC2=NC3(CCCCC3)N=C(N)N2)c1,0,0.0,
+COc1ccc(OC)c(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1,0,0.0,
+COc1ccc(OC)c(NC2c3ccccc3C(=O)N2c2cccnc2)c1,0,0.0,
+COc1ccc(OC)c(NC2c3ncccc3C(=O)N2Cc2ccco2)c1,0,0.0,
+COc1ccc(OC)c(NC=C2C(=O)OC(C)(C)OC2=O)c1,0,0.0,
+COc1ccc(OC)c(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1,0,0.0,
+COc1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(NS(=O)(=O)c2cc(OC)ccc2OC)c1,0,0.0,
+COc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)s2)c1,0,0.0,
+COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1,0,0.0,
+COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)c1,0,0.0,
+COc1ccc(OC)c(NS(=O)(=O)c2ccc(SC)cc2)c1,0,0.0,
+COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1,0,0.0,
+COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1,0,0.0,
+COc1ccc(OC)c(NS(=O)(=O)c2cccs2)c1,0,0.0,
+COc1ccc(OC)c(Nc2cc(-c3ccccc3)nc(N)n2)c1,0,0.0,
+COc1ccc(OC)c(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)c1,0,0.0,
+COc1ccc(OC)c(Nc2cc(C)nc3ccccc23)c1,0,0.0,
+COc1ccc(OC)c(Nc2cc(C)nc3nc(C)nn23)c1,0,0.0,
+COc1ccc(OC)c(Nc2nc(-c3ccc(O)c(O)c3)cs2)c1,0,0.0,
+COc1ccc(OC)c(Nc2nc(-c3cccs3)cs2)c1,0,0.0,
+COc1ccc(OC)c(Nc2nc(-c3sc(C)nc3C)cs2)c1,0,0.0,
+COc1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1,0,0.0,
+COc1ccc(OC)c(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)c1,0,0.0,
+COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1,0,0.0,
+COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3F)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc3C2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OC)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)O)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2C(C)CCCC2C)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccccc3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCCCC2C(=O)N2CCN(c3ccccn3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1,1,100.0,1.0
+COc1ccc(OC)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc2nccs2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3CC2C(=O)O)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2c3cc(F)ccc3CCC2C)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)N2c3ccccc3CC2C)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)NCC2CCCO2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)NCCC2=CCCCC2)c1,1,100.0,1.0
+COc1ccc(OC)c(S(=O)(=O)NCCO)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)NCCc2cn3ccsc3n2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)NCc2cn3c(C)csc3n2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)NCc2cn3cccc(C)c3n2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)NCc2cn3ccsc3n2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)NCc2csc(-c3ccccc3)n2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)NCc2csc(C)n2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2c(F)cccc2F)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)c1,1,100.0,0.0
+COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)O)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2F)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2SC)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)n2cccn2)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)n2nc(-c3ccccc3)cc2N)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)n2nnc3cc(Cl)ccc32)c1,0,0.0,
+COc1ccc(OC)c(S(=O)(=O)n2nnc3ccccc32)c1,0,0.0,
+COc1ccc(OC)c(S(N)(=O)=O)c1,0,0.0,
+COc1ccc(OC)c([C@@H](O)[C@H](C)NC(C)(C)C)c1,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(C)(C)C)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(C)C)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C3CCCCC3)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)CC(C)C)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)COc3ccccc3)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3cc4ccccc4o3)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)o3)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNC(C)=O)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccc(C)cc3)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccc(Cl)cc3)cc12,0,0.0,
+COc1ccc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccccc3)cc12,0,0.0,
+COc1ccc(OC)c2c(C)cc(N3CCCN(C)CC3)nc12,0,0.0,
+COc1ccc(OC)c2c(C)cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc12,0,0.0,
+COc1ccc(OC)c2c(C)cc(NCCN3CCOCC3)nc12,0,0.0,
+COc1ccc(OC)c2c(N)c(C#N)c(C(F)(F)C(F)(F)F)nc12,0,0.0,
+COc1ccc(OC)c2c(N3CC(C)OC(C)C3)cc(C(F)(F)F)nc12,0,0.0,
+COc1ccc(OC)c2c(N3CCN(C)CC3)cc(C(F)(F)F)nc12,0,0.0,
+COc1ccc(OC)c2c1CC(C)(C)NC2=O,0,0.0,
+COc1ccc(OC)c2c1CCC2=O,0,0.0,
+COc1ccc(OC)c2c1sc(=NC(=O)C(C)(C)C)n2C,0,0.0,
+COc1ccc(OC)c2c1sc(=NC(=O)C(C)C)n2C,0,0.0,
+COc1ccc(OC)c2c1sc(=NC(=O)CN1C(=O)CCC1=O)n2C,0,0.0,
+COc1ccc(OC)c2c1sc(=NC(=O)c1ccco1)n2C,0,0.0,
+COc1ccc(OC)c2sc(N3CCCCC3)nc12,1,100.0,1.0
+COc1ccc(OC)c2sc(N3CCN(c4ccccc4)CC3)nc12,0,0.0,
+COc1ccc(OC)c2sc(NC(=O)C(C)C)nc12,0,0.0,
+COc1ccc(OC)c2sc(NC(=O)C3=COCCO3)nc12,0,0.0,
+COc1ccc(OC)c2sc(NC(=O)C3CC3)nc12,0,0.0,
+COc1ccc(OC)c2sc(NC(=O)C3COc4ccccc4O3)nc12,0,0.0,
+COc1ccc(OC)c2sc(NC(=O)CCS(=O)(=O)c3ccccc3)nc12,0,0.0,
+COc1ccc(OC)c2sc(NC(=O)c3ccc(Br)s3)nc12,0,0.0,
+COc1ccc(OC)c2sc(NC(=O)c3ccc(Cl)s3)nc12,0,0.0,
+COc1ccc(OC)c2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12,0,0.0,
+COc1ccc(OCC(=O)N(C)Cc2ccccc2)cc1,0,0.0,
+COc1ccc(OCC(=O)N2CC3(C)CC2CC(C)(C)C3)cc1,0,0.0,
+COc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1,0,0.0,
+COc1ccc(OCC(=O)N2CCN(C(=O)COc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(OCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(OCC(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1,0,0.0,
+COc1ccc(OCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,0,0.0,
+COc1ccc(OCC(=O)N2CCN(CC3CC4C=CC3C4)CC2)cc1,0,0.0,
+COc1ccc(OCC(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,0,0.0,
+COc1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,0,0.0,
+COc1ccc(OCC(=O)N2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)cc1,1,100.0,
+COc1ccc(OCC(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1,0,0.0,
+COc1ccc(OCC(=O)NCc2cccnc2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2cc(OC)cc(OC)c2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1,1,100.0,0.0
+COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCOCC2)n3C)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccc(OC)cc3)n2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2cccc(OC)c2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2cccc3cccnc23)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2ccccc2OC(F)F)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2ccccc2OC)cc1,0,0.0,
+COc1ccc(OCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1,0,0.0,
+COc1ccc(OCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,0,0.0,
+COc1ccc(OCC(=O)OCCN(C)C)cc1,0,0.0,
+COc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+COc1ccc(OCC(=O)c2c(O)c3ccccc3oc2=O)cc1,0,0.0,
+COc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1,0,0.0,
+COc1ccc(OCC(O)CN2C(=O)c3ccccc3S2(=O)=O)cc1,0,0.0,
+COc1ccc(OCC(O)CN2CCCCC2)cc1,0,0.0,
+COc1ccc(OCC(O)CNC(=O)c2ccc(Br)cc2)cc1,0,0.0,
+COc1ccc(OCC(O)CNCc2ccco2)cc1,0,0.0,
+COc1ccc(OCC(O)CNc2ccc(Br)cc2)cc1,0,0.0,
+COc1ccc(OCC(O)CON2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+COc1ccc(OCC(O)COc2ccc(C(=O)O)cc2)cc1,0,0.0,
+COc1ccc(OCC(O)COc2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(OCC(O)Cn2c(=N)n(CCN3CCCCC3)c3ccccc32)cc1,0,0.0,
+COc1ccc(OCC(O)Cn2c(=N)n(CCN3CCOCC3)c3ccccc32)cc1,0,0.0,
+COc1ccc(OCC(O)Cn2c(=N)n(Cc3ccccc3)c3ccccc32)cc1,0,0.0,
+COc1ccc(OCC(O)Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+COc1ccc(OCC(O)Cn2c(Nc3cccc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+COc1ccc(OCC(O)Cn2c(Nc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+COc1ccc(OCC2CNC(=O)O2)cc1,0,0.0,
+COc1ccc(OCCC(=O)N2CCCCC2)cc1,0,0.0,
+COc1ccc(OCCC(=O)NC2=NCCS2)cc1,0,0.0,
+COc1ccc(OCCC(=O)NCc2ccccc2)cc1,0,0.0,
+COc1ccc(OCCC(=O)Nc2cc(C)on2)cc1,0,0.0,
+COc1ccc(OCCC(=O)OCC(=O)NCc2ccco2)cc1,0,0.0,
+COc1ccc(OCCCC(=O)N2CCCc3ccccc32)cc1,0,0.0,
+COc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+COc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+COc1ccc(OCCCC(=O)Nc2nnc(C3CCCO3)s2)cc1,0,0.0,
+COc1ccc(OCCCC(=O)Nc2nncs2)cc1,0,0.0,
+COc1ccc(OCCCN2CCCC(C)C2)cc1,0,0.0,
+COc1ccc(OCCCON2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+COc1ccc(OCCCSc2ncccn2)cc1,0,0.0,
+COc1ccc(OCCN(C)Cc2ccccc2)cc1,0,0.0,
+COc1ccc(OCCN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1,0,0.0,
+COc1ccc(OCCN2CCN(C3CC(=O)N(CCC(C)C)C3=O)CC2)cc1,0,0.0,
+COc1ccc(OCCNC(=O)c2ccccc2OCC(=O)N2CCCCC2)cc1,0,0.0,
+COc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1,0,0.0,
+COc1ccc(OCCOC(=O)Nc2ccccc2)cc1,0,0.0,
+COc1ccc(OCCOC(=O)c2cccc(-n3cnnn3)c2)cc1,0,0.0,
+COc1ccc(OCCOC(=O)c2cccs2)cc1,0,0.0,
+COc1ccc(OCCOCC(O)CN2CCOCC2)cc1,0,0.0,
+COc1ccc(OCCSc2nc3ccccc3c(=O)[nH]2)cc1,0,0.0,
+COc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1,0,0.0,
+COc1ccc(OCCSc2ncccn2)cc1,0,0.0,
+COc1ccc(OCCSc2ncnc3nc[nH]c23)cc1,0,0.0,
+COc1ccc(OCCSc2nnc(-c3ccccc3)n2N)cc1,0,0.0,
+COc1ccc(OCCSc2nnc(-c3ccoc3C)n2C)cc1,0,0.0,
+COc1ccc(OCCSc2nnc3sc4ccccc4n23)cc1,0,0.0,
+COc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,0,0.0,
+COc1ccc(OCCn2c(=N)n(CCO)c3ccccc32)cc1,0,0.0,
+COc1ccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc32)cc1,0,0.0,
+COc1ccc(OCc2ccc(-c3nc4ccccc4c(=O)n3N)o2)cc1,0,0.0,
+COc1ccc(OCc2ccc(C(=O)O)cc2)cc1,0,0.0,
+COc1ccc(OCc2cccc(C(=O)O)c2)cc1,0,0.0,
+COc1ccc(OCc2nc(C#N)c(N3CCN(c4ccc(OC)cc4)CC3)o2)cc1,0,0.0,
+COc1ccc(OCc2nc(N)nc(Nc3cccc(C)c3C)n2)cc1,0,0.0,
+COc1ccc(OCc2nn3c(-c4cccc(OC)c4)nnc3s2)cc1,0,0.0,
+COc1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1,0,0.0,
+COc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1,0,0.0,
+COc1ccc(OCc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,0,0.0,
+COc1ccc(OCc2nnc(SC(C)C(=O)Nc3nccs3)n2-c2ccccc2)cc1,0,0.0,
+COc1ccc(OCc2nnc(SC3CCOC3=O)n2-c2ccccc2)cc1,0,0.0,
+COc1ccc(OCc2nnc(SCC(=O)NCc3ccco3)o2)cc1,0,0.0,
+COc1ccc(OCc2nnc(SCC(=O)O)n2N)cc1,0,0.0,
+COc1ccc(OCc2nnc(SCC(N)=O)n2-c2ccccc2OC)cc1,0,0.0,
+COc1ccc(OCc2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,0,0.0,
+COc1ccc(OCc2nnc3n2N=C(c2ccc(C)cc2)CS3)cc1,0,0.0,
+COc1ccc(OCc2nnc3n2N=C(c2ccc(OC)cc2)CS3)cc1,0,0.0,
+COc1ccc(Oc2c(C)oc3c(CN(C)C)c(O)ccc3c2=O)cc1,1,100.0,1.0
+COc1ccc(Oc2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1,0,0.0,
+COc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+COc1ccc(Oc2cn[nH]c2-c2ccc(O)cc2O)cc1,0,0.0,
+COc1ccc(Oc2coc3c(CN(C)C)c(O)ccc3c2=O)cc1,1,100.0,1.0
+COc1ccc(Oc2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1,0,0.0,
+COc1ccc(Oc2nc(C)cc(C)c2C#N)cc1,0,0.0,
+COc1ccc(Oc2nc(C)nc3c2oc2ccccc23)cc1,0,0.0,
+COc1ccc(Oc2nc(Oc3ccc(OC)cc3)nc(Oc3ccc(OC)cc3)n2)cc1,0,0.0,
+COc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(OC)c2)cc1,0,0.0,
+COc1ccc(Oc2ncnc3c2ncn3Cc2ccccc2)cc1,0,0.0,
+COc1ccc(P2(=O)Nc3ccccc3N2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCC(C)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC(C)C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCCC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)CCC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)CCC(=O)N2c3ccccc3CC2C)cc1,0,0.0,
+COc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0.0,
+COc1ccc(S(=O)(=O)CCC(=O)O)cc1,0,0.0,
+COc1ccc(S(=O)(=O)CCc2nc3ccccc3s2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC4(CC3)OCCO4)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cccc(C)c4)C(C)C3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ncccn4)CC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCOCC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC(C)C)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CCCC3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCCN(C)c3ccccc3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccn3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cccs3)o2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Cc2ccccc2)cc1N,0,0.0,
+COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc(=O)sc3c2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCC2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1C,1,100.0,0.0
+COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCC2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC2=CCCCC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(F)cccc2F)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OC)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2SC)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2SC)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N(C)CC(=O)O)c2ccccc12,0,0.0,
+COc1ccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCOCC3)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC3CCCO3)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cc(C)on3)cc2)cc1,1,100.0,0.0
+COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)C2CCCCC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(C)cc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccccc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cc(Cl)ccc2OC)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CCCCC2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccc(C)cc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCO2)c2ccccc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2ccc(C)cc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)C2CCCCC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)Cc2ccccc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2OC)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1OC,1,100.0,0.0
+COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCCC2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2cc(OC)ccc2OC)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCO)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)O)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N(Cc2cc3ccc(OC)cc3[nH]c2=O)CC2COCCO2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)Cc2ccco2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2nc(-c3ccccc3)no2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(Cc2cccs2)C2CCCC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2C3CCC2CC(NC(=O)C2CC2)C3)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2C3CCC2CC(NC(=O)Nc2ccccc2)C3)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CC(C)N(S(=O)(=O)c3ccc(OC)cc3)CC2C)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CC3C4C=CC(C4)C3C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(c3cccs3)N(C)C)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(OC)c3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)c2cccnc12,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(CCN4CCCCC4)s3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2ccccc12,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1Br,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(C)cc3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1,1,100.0,1.0
+COc1ccc(S(=O)(=O)N2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCCCCC3)C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCN(C)CC3)C2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCC3=CCCCC3)C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccn3)C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccn3)C2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccco3)C2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccncc3)C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccncc3)C2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3)C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(OC)c(OC)c3)C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(C(C)=O)c3)C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccnc3)C2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC2)c(C)c1C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC2C(=O)NCc2cccs2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(C(C)=O)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(C)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(O)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc3c(s2)CCCC3)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nccs2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nnc(-c3cccnc3)s2)cc1,1,100.0,0.0
+COc1ccc(S(=O)(=O)N2CCCCC2)cc1Br,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(C)C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)NC(N)=O,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCc1c(C)noc1C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCN(CC(=O)C(C)(C)C)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3cc(NC(C)=O)ccc3OC)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCN(CCC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCCN(Cc3cccc(F)c3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3C3OC(=O)c4ccccc43)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C)CC2)c2ccccc12,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1Br,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C3CCCCCCC3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1,1,100.0,1.0
+COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C)c(F)c3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nnc2c3ccccc3c(C)nn12,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc12,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccc(F)cc5)n4n3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3-n3nc(C)cc3C)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCOCC2)c(Cl)c1Cl,0,0.0,
+COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C)on1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccon1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2ccccc2s1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(C)C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCSC2c2ccc(N)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCSC2c2ccc(OC)c(OC)c2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCSC2c2ccccc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCc1c(C)noc1C,0,0.0,
+COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCc1nnc(-c2ccccc2)o1,0,0.0,
+COc1ccc(S(=O)(=O)N2CCn3c2nc2ccccc23)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc2ccc(O)cc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc2nccs2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)O)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)NC(C)C(=O)Nc2cccc(C(C)=O)c2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccccc2F)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NC(CC(=O)N2CCC3(CC2)OCCO3)c2ccco2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NC(CC(=O)NC2CCCC2)c2ccco2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NC(CC(=O)NCC2CCCO2)c2ccco2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NC(CC(=O)NCCc2ccc(OC)c(OC)c2)c2ccco2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NC(CC(=O)NCc2ccc3c(c2)OCO3)c2ccco2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NC(CC(=O)NCc2ccccc2OC)c2ccco2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NC(CC(=O)NCc2ccco2)C(C)C)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NC(CC(=O)NCc2ccco2)c2ccco2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)c1C,0,0.0,
+COc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)NC2CCCC2)cc1Br,0,0.0,
+COc1ccc(S(=O)(=O)NC2CCCCC2)c(C)c1C,0,0.0,
+COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2c(C)cccc2C)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2cc(C)ccc2C)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2C)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(C)CC2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(c3ccccc3OC)CC2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3ccco3)CC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCCC(=O)NC(C)c2ccccc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCCC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCCC(=O)NCc2cccs2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCCC(C)C)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)NCCCCCC(=O)NCCCN2CCOCC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCCCCNS(=O)(=O)c2ccc(OC)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12,0,0.0,
+COc1ccc(S(=O)(=O)NCCN2CCOCC2)c2ccccc12,0,0.0,
+COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)NCCSCc2cccs2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCCSc2ccc(C)cc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCCc2csc(C)n2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)O,0,0.0,
+COc1ccc(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)cc1,0,0.0,
+COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)NCc2ccccn2)c(Cl)c1Cl,0,0.0,
+COc1ccc(S(=O)(=O)NCc2ccccn2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12,0,0.0,
+COc1ccc(S(=O)(=O)NCc2ccco2)cc1-c1nnc2c3ccccc3c(C)nn12,0,0.0,
+COc1ccc(S(=O)(=O)NCc2ccncc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1F,0,0.0,
+COc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2ccccc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2c(C)ccc3nsnc23)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,1,100.0,
+COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCCCC3)ccc2N2CCOCC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCC(C)C)ccc2N2CCOCC2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccccc3)c2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C(C)C)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)n2)c2ccccc12,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1C,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1Cl,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)O,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1Cl,1,100.0,0.0
+COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cccc(C)n2)c2ccccc12,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Br,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC2CCCN(C)C2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccccn2)c(C)c1C,0,0.0,
+COc1ccc(S(=O)(=O)Nc2ccccn2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)Nc2nc(C(F)(F)F)cs2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)Nc2nncs2)cc1,0,0.0,
+COc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1,0,0.0,
+COc1ccc(S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)n2c(CCN3CCOCC3)nc3ccccc32)cc1,0,0.0,
+COc1ccc(S(=O)(=O)n2ccnc2)c2cccnc12,0,0.0,
+COc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1,0,0.0,
+COc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C,0,0.0,
+COc1ccc(S(=O)(=O)n2nc(-c3cc(OC)c(OC)c(OC)c3)cc2N)cc1OC,0,0.0,
+COc1ccc(S(=O)(=O)n2nc(OC(=O)C3CCCCC3)cc2N)cc1,0,0.0,
+COc1ccc(S(=O)(=O)n2nc(OC(=O)c3c(-c4ccccc4Cl)noc3C)cc2N)cc1,0,0.0,
+COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(C)cc3)cc2N)cc1,0,0.0,
+COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3)cc2N)cc1,0,0.0,
+COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3Br)cc2N)cc1,0,0.0,
+COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccco3)cc2N)cc1,0,0.0,
+COc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccs3)cc2N)cc1,0,0.0,
+COc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O,0,0.0,
+COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1(N2CCCCC2)CCCCC1,0,0.0,
+COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1,0,0.0,
+COc1ccc([C@@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12,0,0.0,
+COc1ccc2[nH]c(=O)c(-c3noc(-c4ccc(F)cc4)n3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4)n3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N(Cc3ccco3)CC3CCCO3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N(C)C3CCCCC3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCc4ccccc4C3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCO3)c3ccc(C)cc3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCO3)c3cccc(C)c3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(=O)COc3ccccc3)C(C)C)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCC3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCCC3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccn3)C3CCCCC3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccn3)c3ccccc3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccccc3OC)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)C3CCCCC3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)C(C)(C)C)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)C(C)C)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(C)=O)C3CCCCC3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C(C)=O)c3cccc(C)c3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C)C(=O)C3CCCCC3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C)C(=O)COc3ccccc3)cc2c1,1,100.0,0.0
+COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccncc3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(C3CCCCC3)C(c3nnnn3Cc3ccco3)C(C)C)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)Nc3ccc(F)cc3)cc2c1,1,100.0,
+COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)Nc3ccccc3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)Nc3ccccc3OC)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccc(F)cc3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccccc3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NCc3ccccc3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)NCc3ccccc3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3CC3CCCO3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)Cc3nnnn3CC3CCCO3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(C)=O)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)Cc3nnnn3CC3CCCO3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)Cc3nnnn3CC3CCCO3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccccc3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccccc3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3cccc4nsnc34)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCc3ccccc3)CC3CCCO3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccc(F)cc3)CC3CCCO3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)CC3CCCO3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c(CNC3CCCCC3)cc2c1,0,0.0,
+COc1ccc2[nH]c(=O)c3c(c2c1)OC(C)(C)C=C3,0,0.0,
+COc1ccc2[nH]c(=S)[nH]c2c1,0,0.0,
+COc1ccc2[nH]c(C(=O)O)c(CCC(=O)O)c2c1,0,0.0,
+COc1ccc2[nH]c(C(=O)O)c(CCNC(C)=O)c2c1,0,0.0,
+COc1ccc2[nH]c(C(=O)O)c(NS(=O)(=O)c3ccc(Cl)s3)c2c1,0,0.0,
+COc1ccc2[nH]c(C(=O)O)c(NS(=O)(=O)c3ccc(OC)c(OC)c3)c2c1,0,0.0,
+COc1ccc2[nH]c(C)c(C(=O)CN(C)C)c2c1,0,0.0,
+COc1ccc2[nH]c(C)c(C(=O)CN3CC(C)OC(C)C3)c2c1,0,0.0,
+COc1ccc2[nH]c(C)c(C(=O)CN3CCN(C(=O)c4ccco4)CC3)c2c1,0,0.0,
+COc1ccc2[nH]c(C)c(C(=O)CN3CCOCC3)c2c1,0,0.0,
+COc1ccc2[nH]c(C)c(C(=O)CN3CCc4cc(OC)c(OC)cc4C3)c2c1,0,0.0,
+COc1ccc2[nH]c(C)c(CCN3C(=O)C4C5C=CC(C5)C4C3=O)c2c1,0,0.0,
+COc1ccc2[nH]c(C)c(CCN3C(=O)C4CC=CCC4C3=O)c2c1,0,0.0,
+COc1ccc2[nH]c(C)c(CCN3C(=O)OC(C)(C)C3(C)O)c2c1,0,0.0,
+COc1ccc2[nH]c(C)c(CCN3CCC(=O)C(C)C3C)c2c1,0,0.0,
+COc1ccc2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1,0,0.0,
+COc1ccc2[nH]c(C)c(CN3CCCC(C)C3)c(=O)c2c1,0,0.0,
+COc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1,0,0.0,
+COc1ccc2[nH]c(O)c(NC(C)=O)c2c1,0,0.0,
+COc1ccc2[nH]c3c(=O)n(CCCCC(=O)N4CCC(C(N)=O)CC4)c(=S)[nH]c3c2c1,0,0.0,
+COc1ccc2[nH]c3c(=O)n(CCCCC(=O)N4CCCC4)c(=S)[nH]c3c2c1,0,0.0,
+COc1ccc2[nH]c3c(=O)n(CCCCC(=O)NCCN4CCCC4)c(=S)[nH]c3c2c1,0,0.0,
+COc1ccc2[nH]c3c(=O)n(Cc4ccco4)cnc3c2c1,0,0.0,
+COc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1,0,0.0,
+COc1ccc2[nH]c3c(NCCN(C(C)C)C(C)C)ncnc3c2c1,0,0.0,
+COc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1,0,0.0,
+COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2ccccc2c1=O,0,0.0,
+COc1ccc2[nH]c3c(c2c1)CN(C)CC3,1,100.0,0.0
+COc1ccc2[nH]c3ccc(OC)cc3c2c1,0,0.0,
+COc1ccc2[nH]c3ccccc3c2c1,0,0.0,
+COc1ccc2[nH]c3nc(SC(C)C)nnc3c2c1,0,0.0,
+COc1ccc2[nH]c3nc(SCc4nnc(-c5ccc(C)cc5)o4)nnc3c2c1,0,0.0,
+COc1ccc2[nH]c3nc(SCc4nnc(-c5ccccc5)o4)nnc3c2c1,0,0.0,
+COc1ccc2[nH]cc(C(=O)CN(C)CCc3ccc(OC)c(OC)c3)c2c1,0,0.0,
+COc1ccc2[nH]cc(C(=O)CN3CCC(C)CC3)c2c1,0,0.0,
+COc1ccc2[nH]cc(C(=O)CN3CCCC(C)C3)c2c1,0,0.0,
+COc1ccc2[nH]cc(C(=O)CN3CCCCC3)c2c1,0,0.0,
+COc1ccc2[nH]cc(C(=O)CN3CCCCC3C)c2c1,0,0.0,
+COc1ccc2[nH]cc(C(=O)CN3CCN(C(=O)c4ccco4)CC3)c2c1,0,0.0,
+COc1ccc2[nH]cc(C(=O)CN3CCN(C/C=C/c4ccccc4)CC3)c2c1,0,0.0,
+COc1ccc2[nH]cc(C(=O)CN3CCN(C4CCCCC4)CC3)c2c1,0,0.0,
+COc1ccc2[nH]cc(C(=O)N3CCCCC3)c(=O)c2c1,0,0.0,
+COc1ccc2[nH]cc(C(O)CN3CCN(c4ccccc4)CC3)c2c1,0,0.0,
+COc1ccc2[nH]cc(C3N4CC5(C)CN3CC(C)(C4)C5=O)c2c1,0,0.0,
+COc1ccc2[nH]cc(CCN(C)C)c2c1,0,0.0,
+COc1ccc2[nH]cc(CCN=C3SCC(=O)N3C)c2c1,0,0.0,
+COc1ccc2[nH]cc(CCNC(=O)C3CCCNC3=O)c2c1,0,0.0,
+COc1ccc2c(-c3ccccc3)cc(N3CCOCC3)nc2c1,0,0.0,
+COc1ccc2c(-c3ccccc3)cc3nnnn3c2c1,0,0.0,
+COc1ccc2c(-c3cccnc3)cc(=O)[nH]c2c1,0,0.0,
+COc1ccc2c(=O)c(-c3nc(C)cs3)coc2c1,0,0.0,
+COc1ccc2c(=O)c(C(=O)NCCc3ccc(OC)c(OC)c3)c[nH]c2c1,0,0.0,
+COc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1,0,0.0,
+COc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)coc2c1,0,0.0,
+COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4cc(OC)c(OC)c(OC)c4)nc3oc2c1,0,0.0,
+COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccc(C)cc4)nc3oc2c1,0,0.0,
+COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccccc4)nc3oc2c1,0,0.0,
+COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(C(C)C)nc3oc2c1,0,0.0,
+COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(C4CCCCC4)nc3oc2c1,0,0.0,
+COc1ccc2c(=O)cc(C(F)(F)C(F)(F)F)oc2c1,0,0.0,
+COc1ccc2c(C(=O)CN(C)C3CCCCC3)c[nH]c2c1,0,0.0,
+COc1ccc2c(C(=O)CN3CC(C)OC(C)C3)c[nH]c2c1,0,0.0,
+COc1ccc2c(C(=O)CN3CCN(CCO)CC3)c[nH]c2c1,0,0.0,
+COc1ccc2c(C(F)(F)F)cc(=O)oc2c1C,0,0.0,
+COc1ccc2c(C)c(C(=O)NCC(C)O)oc2c1OC,0,0.0,
+COc1ccc2c(C)c(Cl)c(=O)oc2c1,0,0.0,
+COc1ccc2c(C)cc(=O)oc2c1C,0,0.0,
+COc1ccc2c(C)cc(SCC#N)nc2c1,0,0.0,
+COc1ccc2c(C)cc(SCC(=O)N3CCOCC3)nc2c1,0,0.0,
+COc1ccc2c(C)nc(Nc3nc(C)cc(=O)[nH]3)nc2c1,0,0.0,
+COc1ccc2c(C)nc(Nc3nc(C)cc(C)n3)nc2c1,0,0.0,
+COc1ccc2c(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(O)n(Cc3ccco3)c(=O)c2c1,1,100.0,
+COc1ccc2c(CC#N)c[nH]c2c1,0,0.0,
+COc1ccc2c(CC(=O)N(C)CC3COc4ccccc4O3)coc2c1,0,0.0,
+COc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)coc2c1,0,0.0,
+COc1ccc2c(CC(=O)NCc3ccc4c(c3)OCO4)coc2c1,0,0.0,
+COc1ccc2c(CC(=O)Nc3ccc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)coc2c1,0,0.0,
+COc1ccc2c(CC(=O)Nc3nnc(C4CC4)s3)coc2c1,0,0.0,
+COc1ccc2c(CC(=O)OCC(=O)N3CCc4ccccc43)coc2c1,0,0.0,
+COc1ccc2c(CC(=O)OCC(=O)Nc3ccc4c(c3)OCO4)coc2c1,0,0.0,
+COc1ccc2c(CC(=O)OCC(=O)c3ccc(F)cc3)coc2c1,0,0.0,
+COc1ccc2c(CCNC(=O)c3ccco3)c[nH]c2c1,0,0.0,
+COc1ccc2c(CN(C)c3ccccc3)cc(=O)oc2c1,0,0.0,
+COc1ccc2c(CSc3nc4nc(C)cc(C)n4n3)cc(=O)oc2c1,0,0.0,
+COc1ccc2c(Cl)c(-c3nnc(SCC(N)=O)n3C)sc2c1,0,0.0,
+COc1ccc2c(Cl)c(-c3nnc4n3CCCCC4)sc2c1,0,0.0,
+COc1ccc2c(Cl)c(-c3nnco3)sc2c1,0,0.0,
+COc1ccc2c(Cl)c(C(=O)NC3CCS(=O)(=O)C3)sc2c1,0,0.0,
+COc1ccc2c(Cl)c(C(=O)NCCCn3ccnc3)sc2c1,0,0.0,
+COc1ccc2c(Cl)c(C(N)=O)sc2c1,0,0.0,
+COc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(C)=O,0,0.0,
+COc1ccc2c(c1)-c1nc(NC(=O)c3ccco3)sc1CC2,0,0.0,
+COc1ccc2c(c1)-c1nc(NC(=O)c3cccs3)sc1CC2,0,0.0,
+COc1ccc2c(c1)C(=NO)c1cc(OC)ccc1-2,0,0.0,
+COc1ccc2c(c1)C(=O)CC(c1ccccc1F)O2,0,0.0,
+COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2,0,0.0,
+COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2(C)C,0,0.0,
+COc1ccc2c(c1)C(=O)OC2CC(=O)O,0,0.0,
+COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C(C)N1C(=O)c2ccccc2C1=O,0,0.0,
+COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CNCc1ccc2c(c1)OCO2,0,0.0,
+COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(-c2ccc(C)cc2)o1,0,0.0,
+COc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)CSc1ncn[nH]1,0,0.0,
+COc1ccc2c(c1)C(NC(C)=O)C(=O)N2C,0,0.0,
+COc1ccc2c(c1)C1(C)CC(C)(C)N2C(=O)N1c1ccccc1,0,0.0,
+COc1ccc2c(c1)C1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2,0,0.0,
+COc1ccc2c(c1)C1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2C,0,0.0,
+COc1ccc2c(c1)C1(Nc3ccccc3C(=O)N1c1ccccc1)C(=O)N2,0,0.0,
+COc1ccc2c(c1)C=CC1(O2)N(CCO)c2ccccc2C1(C)C,0,0.0,
+COc1ccc2c(c1)CC(C1(O)C(=O)Nc3ccccc31)C2=O,0,0.0,
+COc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(CCc2ccccc2)C1=O,0,0.0,
+COc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(C)cc2)C1=O,0,0.0,
+COc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(F)cc2)C1=O,0,0.0,
+COc1ccc2c(c1)CCC(C)N2S(=O)(=O)c1ccc(C2CNC(=O)C2)cc1,0,0.0,
+COc1ccc2c(c1)CCCC21NC(=O)NC1=O,0,0.0,
+COc1ccc2c(c1)CCCN2C(N)=O,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)N3CC4(C)CC3CC(C)(C)C4)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)N3CCCCCC3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)N3CCCc4ccccc43)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)N3CCOCC3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCCCn3ccnc3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCCc3ccc(OC)c(OC)c3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCc3ccc(F)cc3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCc3cccnc3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCc3ccco3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)Nc3ccn(Cc4ccc(C)cc4)n3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)O,0,0.0,
+COc1ccc2c(c1)CCc1cc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)sc1-2,0,0.0,
+COc1ccc2c(c1)Cc1sc(NC(=O)c3cccs3)nc1-2,0,0.0,
+COc1ccc2c(c1)Cc1sc(NC(C)=O)nc1-2,0,0.0,
+COc1ccc2c(c1)N(C(=O)CSc1n[nH]c(C)n1)C(C)(C)C=C2C,0,0.0,
+COc1ccc2c(c1)N(C)C(=O)CC(c1ccccc1)=N2,0,0.0,
+COc1ccc2c(c1)N1CCN=C1N2C,0,0.0,
+COc1ccc2c(c1)NC1(O)c3ccccc3C(=O)C21O,0,0.0,
+COc1ccc2c(c1)OC(O)(C(F)(F)C(F)F)CC2=O,0,0.0,
+COc1ccc2c(c1)OC(O)(C(F)(F)F)CC2=O,0,0.0,
+COc1ccc2c(c1)OC(O)(C(F)F)CC2=O,0,0.0,
+COc1ccc2c(c1)OC1(C)CC2C(C(=O)c2ccccc2OC)C(=O)N1,0,0.0,
+COc1ccc2c(c1)OC13CCN(C)CC1C2C(C(=O)c1ccc(F)cc1)C(=O)N3,0,0.0,
+COc1ccc2c(c1)OCC1=C2CCC2(C)C(=O)CC=C12,0,0.0,
+COc1ccc2c(c1)S/C(=C\C(=O)c1ccncc1)N2C,0,0.0,
+COc1ccc2c(c1)SC1=NCCS(=O)(=O)N12,0,0.0,
+COc1ccc2c(c1)Sc1ccccc1N2CCN(C)C,1,100.0,1.0
+COc1ccc2c(c1)[nH]c1c(=O)n(CC3CCCO3)cnc12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(CCN(C)C)cnc12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCCC3)cnc12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(CCc3cnc[nH]3)cnc12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12,0,0.0,
+COc1ccc2c(c1)c(=O)c(Br)c(C)n2Cc1ccccc1,0,0.0,
+COc1ccc2c(c1)c(=O)cc(C)n2CC(=O)NCc1ccco1,0,0.0,
+COc1ccc2c(c1)c(=O)oc1c(C)c3occ(C)c3cc12,0,0.0,
+COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCC(C)CC3)ccc12,0,0.0,
+COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCCC(C)C3)ccc12,0,0.0,
+COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NC3CC3)ccc12,0,0.0,
+COc1ccc2c(c1)c(C(=O)CN1CCC3(CC1)OCCO3)c(C)n2C,0,0.0,
+COc1ccc2c(c1)c(C(=O)CN1CCN(C(=O)c3ccco3)CC1)c(C)n2C,0,0.0,
+COc1ccc2c(c1)c(C(=O)CN1CCN(C)CC1)c(C)n2Cc1ccccc1,0,0.0,
+COc1ccc2c(c1)c(C(=O)CN1CCOCC1)c(C)n2C,0,0.0,
+COc1ccc2c(c1)c(C(=O)CNc1nc(C)cs1)c(C)n2C,0,0.0,
+COc1ccc2c(c1)c(C(=O)N1CCN(C)CC1)c(C)n2-c1ccccc1,0,0.0,
+COc1ccc2c(c1)c(C(=O)O)c(C)n2CC(C)C,0,0.0,
+COc1ccc2c(c1)c(C(=O)OCCN(C)C)c(C)n2C,0,0.0,
+COc1ccc2c(c1)c(C(O)CN1CCC3(CC1)OCCO3)c(C)n2C,0,0.0,
+COc1ccc2c(c1)c(C(O)CN1CCN(Cc3ccc4c(c3)OCO4)CC1)c(C)n2C,0,0.0,
+COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,0,0.0,
+COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,0,0.0,
+COc1ccc2c(c1)c(CCN1C(=O)c3ccccc3C1=O)cn2C(=O)c1ccco1,0,0.0,
+COc1ccc2c(c1)c1c(n2C(C)=O)C(OC(C)=O)=NCC1,0,0.0,
+COc1ccc2c(c1)c1c3n2CCN(C)C3=NCC1,0,0.0,
+COc1ccc2c(c1)c1ccccc1n2C,0,0.0,
+COc1ccc2c(c1)c1nc(SCC(C)C)n(CCO)c(=O)c1n2C,0,0.0,
+COc1ccc2c(c1)c1ncn(CCN3CCCC3)c(=O)c1n2C,0,0.0,
+COc1ccc2c(c1)c1ncn(Cc3ccco3)c(=O)c1n2C,0,0.0,
+COc1ccc2c(c1)c1ncnc(N(C)C)c1n2C,0,0.0,
+COc1ccc2c(c1)c1ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c1n2C,0,0.0,
+COc1ccc2c(c1)c1nnc(SC)nc1n2C,0,0.0,
+COc1ccc2c(c1)c1nnc(SCC(=O)N3C(C)CCCC3C)nc1n2C,0,0.0,
+COc1ccc2c(c1)c1nnc(SCC(=O)N3CCCCC3C)nc1n2C,0,0.0,
+COc1ccc2c(c1)cc(C(=O)O)n2C,0,0.0,
+COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n12,0,0.0,
+COc1ccc2c(c1)cc1n2CCN2CCCN=C12,0,0.0,
+COc1ccc2c(c1)cc1n2CCN=C1N,0,0.0,
+COc1ccc2c(c1)n([O-])c(C)c(C(C)=O)[n+]2=O,0,0.0,
+COc1ccc2c(c1)n([O-])c1c([n+]2=O)CCC1,0,0.0,
+COc1ccc2c(c1)nc(N)n2Cc1ccccc1,0,0.0,
+COc1ccc2c(c1)nc1n2CN(CC2CCCO2)CN1Cc1ccccc1,0,0.0,
+COc1ccc2c(c1)sc1nc(-c3ccccc3)cn12,0,0.0,
+COc1ccc2c(c1OC)C(=O)N(C(C)C(=O)O)C2=O,0,0.0,
+COc1ccc2c(c1OC)C(=O)N(c1ccc3c(c1)CCC3)C2=O,0,0.0,
+COc1ccc2c(c1OC)C(=O)N(c1cccc(C(F)(F)F)c1)C2,0,0.0,
+COc1ccc2c(c1OC)C(=O)N(c1cccc(C)c1)C2,0,0.0,
+COc1ccc2c(c1OC)C(=O)N(c1cccc(C)c1)C2=O,0,0.0,
+COc1ccc2c(c1OC)C(=O)N(c1ccccn1)C2,0,0.0,
+COc1ccc2c(c1OC)C(=O)N(c1nccs1)C2,0,0.0,
+COc1ccc2c(c1OC)C(=O)N(c1ncn[nH]1)C2,0,0.0,
+COc1ccc2c(c1OC)C(=O)N1C(C(=O)O)Cc3c([nH]c4ccccc34)C21,0,0.0,
+COc1ccc2c(c1OC)C(=O)N1C2SC[C@H]1C(=O)NC1CC(C)(C)NC(C)(C)C1,0,0.0,
+COc1ccc2c(c1OC)C(=O)N1c3cccc(Cl)c3C(=O)OC21,0,0.0,
+COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc(F)cc3)C21,0,0.0,
+COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccccc3)C21,0,0.0,
+COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccccc3F)C21,0,0.0,
+COc1ccc2c(c1OC)C(=O)N1c3ccccc3COC21,0,0.0,
+COc1ccc2c(c1OC)C(=O)N1c3ccccc3SC21,0,0.0,
+COc1ccc2c(c1OC)C(=O)NC(C)=C(C(=O)OC(C)(C)C)C2O,0,0.0,
+COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C,0,0.0,
+COc1ccc2c(c1OC)C(=O)OC2CC(=O)c1ccc(N(C)C)cc1,0,0.0,
+COc1ccc2c(c1OC)C(=O)OC2CC(=O)c1ccc(O)cc1,0,0.0,
+COc1ccc2c(c1OC)C(=O)OC2CC(=O)c1ccc2c(c1)OCO2,0,0.0,
+COc1ccc2c(c1OC)C(=O)OC2Nc1ccccc1S(=O)(=O)C(F)F,0,0.0,
+COc1ccc2c(c1OC)C(=O)OC2Nc1ccccn1,0,0.0,
+COc1ccc2c(c1OC)C(=O)OC2Nn1cncn1,0,0.0,
+COc1ccc2c(c1OC)C(=O)OC2c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0.0,
+COc1ccc2c(c1OC)C(=O)OC2c1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O,0,0.0,
+COc1ccc2c(c1OC)C(=O)OC2c1c(O)nc(SC)n(-c2ccccc2)c1=O,0,0.0,
+COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C,0,0.0,
+COc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1C(O)C2)OCO3,0,0.0,
+COc1ccc2c3c(c(=O)oc2c1OCC(=O)C(C)(C)C)CCCC3,0,0.0,
+COc1ccc2c3c(c(=O)oc2c1OCC(N)=O)CCCC3,0,0.0,
+COc1ccc2c3c(cccc13)NN=C2C,0,0.0,
+COc1ccc2c3c(cccc13)OCC2=O,0,0.0,
+COc1ccc2cc(C#N)c(N3CCN(Cc4nnnn4CCC(C)C)CC3)nc2c1,0,0.0,
+COc1ccc2cc(C#N)c(NC(C)C)nc2c1,0,0.0,
+COc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1,0,0.0,
+COc1ccc2cc(C(=O)N3CCCCCC3)sc(=O)c2c1OC,0,0.0,
+COc1ccc2cc(C(=O)N3CCOCC3)sc(=O)c2c1OC,0,0.0,
+COc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1,0,0.0,
+COc1ccc2cc(C(=O)NCc3ccco3)c(=Nc3ccc(C(=O)O)cc3)oc2c1,0,0.0,
+COc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1,0,0.0,
+COc1ccc2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc(=O)c2c1OC,0,0.0,
+COc1ccc2cc(C(=O)OC(C)C)sc(=O)c2c1OC,0,0.0,
+COc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCSCC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(C(c3nnnn3C3CCCC3)N3CCc4ccccc4C3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(C(c3nnnn3C3CCCCC3)N3CCCCCC3)c3nnnn3c2c1,0,0.0,
+COc1ccc2cc(C(c3nnnn3CC3CCCO3)N3CCOCC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(C)CC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCCC(C)C3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(C(c3nnnn3Cc3ccc(F)cc3)N3CCCCCC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCCCCC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(C)c(SCC(=O)Nc3cc(C)on3)nc2c1,0,0.0,
+COc1ccc2cc(C3(C)NC(=O)N(CC(=O)NCc4ccco4)C3=O)ccc2c1,0,0.0,
+COc1ccc2cc(C3(C)NC(=O)NC3=O)ccc2c1,1,100.0,
+COc1ccc2cc(CCNC(=O)C(C)(C)C)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CCNC(=O)C(C)C)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CCNC(=O)C3CC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CCNC(=O)C3CCCC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CCNC(=O)CC(C)(C)C)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CCNC(=O)c3c(-c4ccccc4Cl)noc3C)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CCNC(=O)c3ccc(Br)o3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CCNC(=O)c3ccc4c(c3)OCO4)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CN(C(=O)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CN(C(=O)Nc3ccccc3OC)C3CCCC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CN(CC3COCCO3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CN(CC3COCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CN(CCO)C(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CN(CCO)C(=O)c3ccccc3F)c(=O)[nH]c2c1,1,100.0,0.0
+COc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CN(Cc3cccnc3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1,1,100.0,0.0
+COc1ccc2cc(CN(Cc3ccco3)C(c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(CN(Cc3ccco3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1,0,0.0,
+COc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2c1S(=O)(=O)N1CCCCC1,0,0.0,
+COc1ccc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2c1,0,0.0,
+COc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2c1,0,0.0,
+COc1ccc2cc([C@H](C)C(=O)O)ccc2c1,0,0.0,
+COc1ccc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2c1,0,0.0,
+COc1ccc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2c1,0,0.0,
+COc1ccc2cc3c(N)nn(C(=O)Cc4ccccc4OC)c3nc2c1,0,0.0,
+COc1ccc2cc3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)oc3nc2c1,0,0.0,
+COc1ccc2cc3cc(C(=O)NCC4CCCO4)oc3nc2c1,0,0.0,
+COc1ccc2cc3cc(C(=O)NCC4COc5ccccc5O4)oc3nc2c1,0,0.0,
+COc1ccc2cc3cc(C(=O)NCCCN4CCOCC4)oc3nc2c1,0,0.0,
+COc1ccc2cc3cc(C(=O)NCCN4CCN(Cc5ccccc5)CC4)oc3nc2c1,1,100.0,1.0
+COc1ccc2cc3cc(C(=O)NCCN4CCN(c5ccccc5F)CC4)oc3nc2c1,0,0.0,
+COc1ccc2cc3cc(C(=O)NCCN4CCc5ccccc5C4)oc3nc2c1,0,0.0,
+COc1ccc2cc3cc(C(=O)NCCc4ccc(OC)c(OC)c4)oc3nc2c1,0,0.0,
+COc1ccc2cc3cc(C(=O)NCc4ccc5c(c4)OCO5)oc3nc2c1,0,0.0,
+COc1ccc2cc3cc(C(=O)NCc4ccccn4)oc3nc2c1,0,0.0,
+COc1ccc2cc3cc(C(=O)Nc4ccc5c(c4)OCCO5)oc3nc2c1,0,0.0,
+COc1ccc2cc3cc(C(=O)Nc4ccc5c(c4)OCO5)oc3nc2c1,0,0.0,
+COc1ccc2cc3cc(C(=O)Nc4ccccc4N4CCN(C)CC4)oc3nc2c1,0,0.0,
+COc1ccc2ccc(Oc3ncccn3)cc2c1,0,0.0,
+COc1ccc2ccccc2c1/C=N/O,0,0.0,
+COc1ccc2ccccc2c1C(O)c1nccn1C,0,0.0,
+COc1ccc2ccccc2c1C1CC(=O)N2CN(C)CSC2=C1C#N,0,0.0,
+COc1ccc2ccccc2c1C1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N,0,0.0,
+COc1ccc2ccccc2c1C1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N,0,0.0,
+COc1ccc2ccccc2c1CN1CCCC(CO)C1,0,0.0,
+COc1ccc2ccccc2c1CN1CCN(C(=O)c2ccccc2)CC1,0,0.0,
+COc1ccc2ccccc2c1CN1CCN(C)CC1,0,0.0,
+COc1ccc2cn[nH]c(=O)c2c1OC,0,0.0,
+COc1ccc2cnn(-c3ccccc3)c(=O)c2c1OC,0,0.0,
+COc1ccc2cnn(-c3ccccc3C)c(=O)c2c1OC,0,0.0,
+COc1ccc2cnn(CCOc3ccccc3)c(=O)c2c1OC,0,0.0,
+COc1ccc2cnn(Cc3ccccc3)c(=O)c2c1OC,0,0.0,
+COc1ccc2nc(-c3ccccc3)[nH]c2c1,0,0.0,
+COc1ccc2nc(-n3c(C)ccc3C)sc2c1,0,0.0,
+COc1ccc2nc(/N=C(\N)NC(=O)C(C)(C)C)nc(C)c2c1,0,0.0,
+COc1ccc2nc(/N=C\N(C)C)sc2c1,0,0.0,
+COc1ccc2nc(C)[nH]c(=O)c2c1,0,0.0,
+COc1ccc2nc(C)c(C(=O)OCCN(C)C)cc2c1,0,0.0,
+COc1ccc2nc(C)c3c(c2c1)OC(C)C3,0,0.0,
+COc1ccc2nc(C)c3cc(C)oc3c2c1,0,0.0,
+COc1ccc2nc(C)cc(C(=O)O)c2c1,0,0.0,
+COc1ccc2nc(C)cc(N3CC(C)OC(C)C3)c2c1,0,0.0,
+COc1ccc2nc(C)cc(N3CCOCC3)c2c1,0,0.0,
+COc1ccc2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1,0,0.0,
+COc1ccc2nc(C)cc(SCC(=O)O)c2c1,0,0.0,
+COc1ccc2nc(CC(C)(C)CC(=O)O)c[n+]([O-])c2c1,0,0.0,
+COc1ccc2nc(COC(=O)c3ccco3)c(C(C)=O)[n+]([O-])c2c1,0,0.0,
+COc1ccc2nc(N3CCC(C)CC3)c(C#N)cc2c1,0,0.0,
+COc1ccc2nc(N3CCC(O)CC3)c(C#N)cc2c1,0,0.0,
+COc1ccc2nc(N3CCCC(C(=O)NCCCN4CCN(C)CC4)C3)sc2c1,0,0.0,
+COc1ccc2nc(N3CCCC(O)C3)c(C#N)cc2c1,0,0.0,
+COc1ccc2nc(N3CCCC3)[nH]c2c1,0,0.0,
+COc1ccc2nc(N3CCCC3)c(C#N)cc2c1,0,0.0,
+COc1ccc2nc(N3CCCCC3)c(C#N)cc2c1,0,0.0,
+COc1ccc2nc(NC(=O)C(NS(=O)(=O)c3cccs3)C(C)C)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nonc45)C3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nsnc45)C3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(C)cc3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cnc[nH]4)CC3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)CCc3nc(-c4ccccc4F)no3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)CCc3nc(C4=CCN(C)CC4)no3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)CCn3cccc3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3c(C)nn(C)c3C)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)CN3CCN(C)CC3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)CSC3=NCCS3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)CSc3nc4ccccc4o3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)CSc3nnc(-c4ccoc4C)n3C)sc2c1,1,100.0,0.0
+COc1ccc2nc(NC(=O)CSc3nnc4n3C(C)(C)Cc3ccccc3-4)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)CSc3nnnn3C3CCCCC3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)Cn3cnc4c(=O)n(C)c(=O)n(C)c43)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)c3ccoc3C)sc2c1,0,0.0,
+COc1ccc2nc(NC(=O)c3cnccn3)sc2c1,1,100.0,0.0
+COc1ccc2nc(NC3=NCCC3)sc2c1,0,0.0,
+COc1ccc2nc(NC3=NCN(CC4CCCO4)CN3)nc(C)c2c1,0,0.0,
+COc1ccc2nc(NCCCNC(=O)c3cc(OC)c(OC)c(OC)c3)c(C#N)cc2c1,0,0.0,
+COc1ccc2nc(NCCO)[nH]c2c1,0,0.0,
+COc1ccc2nc(NCc3ccccc3)[nH]c2c1,0,0.0,
+COc1ccc2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1,0,0.0,
+COc1ccc2nc(Nc3ccc4c(c3)OCO4)sc2c1,0,0.0,
+COc1ccc2nc(Nc3nc(C)c(C(C)=O)s3)sc2c1,0,0.0,
+COc1ccc2nc(Nc3nc(C)c(CCC(C)C)c(=O)[nH]3)nc(C)c2c1,0,0.0,
+COc1ccc2nc([S+]([O-])Cc3ncc(C)c(OC)c3C)[nH]c2c1,0,0.0,
+COc1ccc2nc(SCC(=O)N(C)C3CCCCC3)c(C#N)cc2c1,0,0.0,
+COc1ccc2nc(SCC(=O)N3CCCCCC3)c(C#N)cc2c1,0,0.0,
+COc1ccc2nc(SCC(=O)N3CCNC3=O)[nH]c2c1,0,0.0,
+COc1ccc2nc(SCC(=O)NC(C)(C)C)[nH]c2c1,0,0.0,
+COc1ccc2nc(SCC(=O)NC(C)C)[nH]c2c1,0,0.0,
+COc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C#N)cc2c1,0,0.0,
+COc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)[nH]c2c1,0,0.0,
+COc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2c1,0,0.0,
+COc1ccc2nc(SCC(=O)Nc3ccccc3C#N)[nH]c2c1,0,0.0,
+COc1ccc2nc(SCC(=O)O)nc(C)c2c1,0,0.0,
+COc1ccc2nc(SCC(N)=O)[nH]c2c1,0,0.0,
+COc1ccc2nc(SCC(N)=O)cc(C)c2c1,0,0.0,
+COc1ccc2nc(SCc3cnc(C)nc3N)[nH]c2c1,0,0.0,
+COc1ccc2nc(SCc3nc(N)nc(Nc4ccccc4)n3)[nH]c2c1,0,0.0,
+COc1ccc2nc3c(cc2c1)c(NC(=O)C1CCCO1)nn3CC(C)C,0,0.0,
+COc1ccc2nc3c(cc2c1)c(NC(=O)c1cccs1)nn3CC(C)C,0,0.0,
+COc1ccc2nc3oc(C(=O)N4CCC(C(N)=O)CC4)cc3cc2c1,0,0.0,
+COc1ccc2nc3oc(C(=O)N4CCCCC4)cc3cc2c1,0,0.0,
+COc1ccc2nc3oc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3cc2c1,0,0.0,
+COc1ccc2nc3oc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3cc2c1,0,0.0,
+COc1ccc2nc3oc(C(=O)N4CCN(c5ccccc5F)CC4)cc3cc2c1,0,0.0,
+COc1ccc2nc3oc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3cc2c1,0,0.0,
+COc1ccc2nc3oc(C(=O)NCc4cccs4)cc3cc2c1,0,0.0,
+COc1ccc2nc3sc(C(=O)N4CCN(C)CC4)cc3cc2c1,0,0.0,
+COc1ccc2nc3sc(C(=O)NCc4cccs4)c(N)c3cc2c1,0,0.0,
+COc1ccc2ncn(-c3ccccc3)c2c1,0,0.0,
+COc1ccc2nnc(-c3ccccc3)n2n1,0,0.0,
+COc1ccc2noc3c2c1C(=O)c1ccccc1-3,1,100.0,
+COc1ccc2oc(-c3ccccc3)c(C(=O)N3CCOCC3)c2c1,0,0.0,
+COc1ccc2oc(-c3ccccc3)c(C(N)=O)c2c1,0,0.0,
+COc1ccc2oc(=N)c(C(=O)Nc3ccccc3)cc2c1,0,0.0,
+COc1ccc2oc(=O)c(-c3nc(C)cs3)cc2c1,0,0.0,
+COc1ccc2oc(=O)c(-c3nnc(NCc4ccco4)s3)cc2c1,0,0.0,
+COc1ccc2oc(=O)c(C(=O)N3CCCc4ccccc43)cc2c1,0,0.0,
+COc1ccc2oc(=O)c(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)cc2c1,1,100.0,0.0
+COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c1,0,0.0,
+COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccccc4)CC3)cc2c1,0,0.0,
+COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccccc4C)CC3)cc2c1,0,0.0,
+COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccccc4F)CC3)cc2c1,0,0.0,
+COc1ccc2oc(=O)c(C(=O)N3CCc4ccccc43)cc2c1,0,0.0,
+COc1ccc2oc(=O)c(C(=O)NCC3CCCO3)cc2c1,0,0.0,
+COc1ccc2oc(=O)c(C(=O)O)cc2c1,0,0.0,
+COc1ccc2oc(=O)cc(C)c2c1,0,0.0,
+COc1ccc2oc(C(=O)C3CC3)c(N)c2c1,0,0.0,
+COc1ccc2oc(C(=O)C3CC3)c(NC(=O)CCCN3C(=O)c4ccccc4C3=O)c2c1,0,0.0,
+COc1ccc2oc(C(=O)CCC(=O)O)c(N)c2c1,0,0.0,
+COc1ccc2oc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)c(C)c2c1,0,0.0,
+COc1ccc2oc(C(=O)c3ccccc3)c(NC(=O)CN3CCN(C)CC3)c2c1,1,100.0,0.0
+COc1ccc2oc(C)c(C(=O)Cn3ccnc3)c2c1,0,0.0,
+COc1ccc2oc(C)c(C(N)=O)c2c1,0,0.0,
+COc1ccc2oc(C)c(NC(C)=O)c2c1,0,0.0,
+COc1ccc2occ(C(=O)c3ccc(N=C(C)N(C)C)cc3)c2c1,0,0.0,
+COc1ccc2occ(C(=O)c3coc4ccc(O)c(CN(C)C)c34)c2c1,0,0.0,
+COc1ccc2occ(NC(C)=O)c2c1,0,0.0,
+COc1ccc2sc(C)nc2c1NC(C)=O,0,0.0,
+COc1ccc2sc(N3C(=O)C4CC=C(C)CC4C3=O)nc2c1,0,0.0,
+COc1ccc2sc(NC(=O)CC(C)C)nc2c1,0,0.0,
+COc1ccc2sc(NC(=O)c3ccco3)nc2c1,0,0.0,
+COc1ccc2sc(NC(C)=O)nc2c1,0,0.0,
+COc1ccc[nH]c1=O,0,0.0,
+COc1cccc(-c2c(NC(=O)c3ccco3)n(-c3ccc(C)cc3)nc(C)c2=O)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)N3C(C)CCCC3C)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)N3CCCCC3C)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)N3CCCCCC3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)N3CCc4ccccc4C3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)NC3CCCC3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)NCCN3CCOCC3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)NCCc3ccccc3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)NCc3ccco3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)Nc3cc(C)on3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)Nc3ccc(OC)c(OC)c3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)Nc3cccc(O)c3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)Nc3ccccc3SC)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4C)c3)no2)c1,0,0.0,
+COc1cccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)c1,0,0.0,
+COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCC5(CC4)OCCO5)cc3n2)c1,0,0.0,
+COc1cccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)c1,0,0.0,
+COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)c1,0,0.0,
+COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)c1,0,0.0,
+COc1cccc(-c2cc(C(F)(F)F)nc(-n3cncn3)n2)c1,0,0.0,
+COc1cccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccccc4)CC3)n2)c1,0,0.0,
+COc1cccc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)c1,0,0.0,
+COc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)c1,0,0.0,
+COc1cccc(-c2cc(N)nn2C(=O)Nc2ccc(Cl)cc2)c1,0,0.0,
+COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)c1,0,0.0,
+COc1cccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCCC4)c1,0,0.0,
+COc1cccc(-c2ccc(-c3noc(-c4ccccc4F)n3)c(OC)n2)c1,0,0.0,
+COc1cccc(-c2ccc(=O)n(CC(=O)Nc3cc4c(cc3NC(C)=O)OCCO4)n2)c1,0,0.0,
+COc1cccc(-c2cn3nc(C)c(C)nc3n2)c1,0,0.0,
+COc1cccc(-c2cn3nc4c(nc3n2)CCCC4)c1,0,0.0,
+COc1cccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)c1,1,100.0,1.0
+COc1cccc(-c2csc(N3CCN(C(=O)C4CCCCC4)CC3)n2)c1,0,0.0,
+COc1cccc(-c2csc(N3CCN(CC(=O)Nc4ccc5c(c4)OCO5)CC3)n2)c1,0,0.0,
+COc1cccc(-c2csc(N3CCN(Cc4ccccc4)CC3)n2)c1,0,0.0,
+COc1cccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1,0,0.0,
+COc1cccc(-c2csc(NC(=O)C3CC3)n2)c1,0,0.0,
+COc1cccc(-c2csc(NC(C)=O)n2)c1,0,0.0,
+COc1cccc(-c2csc3nc[nH]c(=O)c23)c1,0,0.0,
+COc1cccc(-c2csc3nnc(SCC(=O)NCc4cccs4)n23)c1,0,0.0,
+COc1cccc(-c2csc3nnc(SCC(=O)c4ccc(NC(C)=O)cc4)n23)c1,0,0.0,
+COc1cccc(-c2n[nH]c(=S)n2Cc2ccco2)c1OC,0,0.0,
+COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1,0,0.0,
+COc1cccc(-c2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)c1,0,0.0,
+COc1cccc(-c2nc(-c3ccccc3)no2)c1,0,0.0,
+COc1cccc(-c2nc(-c3ccccn3)no2)c1OC,0,0.0,
+COc1cccc(-c2nc(=S)c3c(n2CCCO)CCCC3)c1,0,0.0,
+COc1cccc(-c2nc(=S)c3c(n2Cc2ccco2)CCCC3)c1,0,0.0,
+COc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(Cl)c4)c3n2)c1OC,0,0.0,
+COc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)c1OC,0,0.0,
+COc1cccc(-c2nc(CC(=O)O)cs2)c1OC,0,0.0,
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N3CCN(C)CC3)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N3CCN(C4CCCCC4)CC3)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N3CCN(c4ccccn4)CC3)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCC(C)C)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCCN3CCc4ccccc4C3)c(C)o2)c1,1,100.0,0.0
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCCOC(C)C)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccccc3)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccccc3OC)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3c(C)cccc3C)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cc(C)ccc3C)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cccc(C)c3C)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(C[S+]([O-])CC(=O)N3CCC4(CC3)OCCO4)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(C[S+]([O-])CC(=O)NC3CC3)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(C[S+]([O-])CC(=O)NC3CCCC3)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(C[S+]([O-])CC(=O)NCCCOC(C)C)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccccc3)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccccc3Cl)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(C[S+]([O-])CC(=O)O)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(CSCC(=O)NCC3CCCO3)c(C)o2)c1,0,0.0,
+COc1cccc(-c2nc(N3CC(C)CC(C)C3)c3ccccc3n2)c1O,0,0.0,
+COc1cccc(-c2nc(N3CCC(C)CC3)c3ccccc3n2)c1O,1,100.0,
+COc1cccc(-c2nc(N3CCCCC3)c3ccccc3n2)c1O,0,0.0,
+COc1cccc(-c2nc(N3CCCCC3C)c3ccccc3n2)c1O,0,0.0,
+COc1cccc(-c2nc(N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)c1O,0,0.0,
+COc1cccc(-c2nc(NC(C)(C)C)c3ccccc3n2)c1O,0,0.0,
+COc1cccc(-c2nc(NC(C)C)c3ccccc3n2)c1O,0,0.0,
+COc1cccc(-c2nc(NCC3CCCO3)c3ccccc3n2)c1O,0,0.0,
+COc1cccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)c1O,0,0.0,
+COc1cccc(-c2nc(NCc3ccco3)c3ccccc3n2)c1O,0,0.0,
+COc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCOCC3)o2)c1,0,0.0,
+COc1cccc(-c2nc3cc(C)ccc3o2)c1,0,0.0,
+COc1cccc(-c2nc3ccc(O)cc3c(=O)o2)c1,0,0.0,
+COc1cccc(-c2nc3n(n2)C(c2ccc4c(c2)OCO4)C(C(N)=O)=C(C)N3)c1,0,0.0,
+COc1cccc(-c2nc3n(n2)C(c2ccccc2Cl)C(C(N)=O)=C(C)N3)c1,0,0.0,
+COc1cccc(-c2nc3n(n2)C(c2cccs2)C(C(=O)Nc2cccnc2)=C(C)N3)c1,0,0.0,
+COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(=O)O)c1,0,0.0,
+COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)c1,0,0.0,
+COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O)c1,0,0.0,
+COc1cccc(-c2nn(-c3ccccc3)cc2CO)c1,0,0.0,
+COc1cccc(-c2nn(C)c3sc(C(=O)N4CCN(c5ccccc5)CC4)cc23)c1,0,0.0,
+COc1cccc(-c2nn(C)c3sc(C(=O)N4CCN(c5ccccn5)CC4)cc23)c1,0,0.0,
+COc1cccc(-c2nn(C)c3sc(C(=O)N4CCOCC4)cc23)c1,0,0.0,
+COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccc(C)o4)cc23)c1,0,0.0,
+COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccc5c(c4)OCO5)cc23)c1,0,0.0,
+COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccccn4)cc23)c1,0,0.0,
+COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccco4)cc23)c1,0,0.0,
+COc1cccc(-c2nn(C)c3sc(C(=O)Nc4ccc5c(c4)OCCO5)cc23)c1,0,0.0,
+COc1cccc(-c2nn3c(-c4cc(C)[nH]n4)nnc3s2)c1,0,0.0,
+COc1cccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)c1,0,0.0,
+COc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1,0,0.0,
+COc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1,0,0.0,
+COc1cccc(-c2nn3c(C)cc(C)nc3c2C(=O)O)c1,0,0.0,
+COc1cccc(-c2nnc(N(C)C(=O)C3CCOC3)s2)c1,0,0.0,
+COc1cccc(-c2nnc(N(C)C(=O)c3ccno3)s2)c1,0,0.0,
+COc1cccc(-c2nnc(NC(=O)C3CCCCC3)o2)c1,0,0.0,
+COc1cccc(-c2nnc(NC(=O)Cc3cccs3)s2)c1,0,0.0,
+COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)o2)c1,0,0.0,
+COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)o2)c1,0,0.0,
+COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c1,0,0.0,
+COc1cccc(-c2nnc(NC(=O)c3cccc(F)c3)o2)c1,0,0.0,
+COc1cccc(-c2nnc(NC(=O)c3ccccc3Br)o2)c1,0,0.0,
+COc1cccc(-c2nnc(NC(C)=O)o2)c1,0,0.0,
+COc1cccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1,0,0.0,
+COc1cccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)o2)c1,0,0.0,
+COc1cccc(-c2nnc(SCC(=O)N3CC(C)CC(C)C3)o2)c1,0,0.0,
+COc1cccc(-c2nnc(SCC(=O)N3CCCC3=O)n2-c2ccccc2)c1,0,0.0,
+COc1cccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)c1,0,0.0,
+COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2N)c1,0,0.0,
+COc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)c1,0,0.0,
+COc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2C)c1,0,0.0,
+COc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2Cc2ccco2)c1,0,0.0,
+COc1cccc(-c2nnc(SCC(=O)OC(C)C)n2Cc2ccco2)c1,0,0.0,
+COc1cccc(-c2nnc(SCC(=O)OC(C)C)n2N)c1,0,0.0,
+COc1cccc(-c2nnc(SCC(N)=O)n2-c2ccc(Cl)cc2)c1,0,0.0,
+COc1cccc(-c2nnc(SCCC(=O)O)n2C)c1,0,0.0,
+COc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c1,0,0.0,
+COc1cccc(-c2nnc(SCc3cccnc3)o2)c1,0,0.0,
+COc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2N)c1,0,0.0,
+COc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1,0,0.0,
+COc1cccc(-c2nnc3n2N=C(c2cc(OC)ccc2OC)CS3)c1,0,0.0,
+COc1cccc(-c2nnc3n2N=C(c2cccc(Br)c2)CS3)c1,0,0.0,
+COc1cccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)c1,0,0.0,
+COc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c1,0,0.0,
+COc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1,0,0.0,
+COc1cccc(-c2nnc3sc(-c4ccccn4)nn23)c1,0,0.0,
+COc1cccc(-c2nnc3sc(-c4ccco4)nn23)c1,0,0.0,
+COc1cccc(-c2nnc3sc(-c4cccs4)nn23)c1,0,0.0,
+COc1cccc(-c2nnc3sc(C4CCCCC4)nn23)c1,0,0.0,
+COc1cccc(-c2nnn(CC(=O)NC3CCCC3)n2)c1OC,0,0.0,
+COc1cccc(-c2nnn(CC(=O)O)n2)c1,0,0.0,
+COc1cccc(-c2nnn(CCC(=O)O)n2)c1,0,0.0,
+COc1cccc(-c2noc(-c3cccnc3)n2)c1,0,0.0,
+COc1cccc(-c2noc(-c3cccs3)n2)c1,0,0.0,
+COc1cccc(-c2noc(C3CCCN(C(=O)Cc4ccccc4)C3)n2)c1,0,0.0,
+COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4C)C3)n2)c1,0,0.0,
+COc1cccc(-c2noc(CCC(=O)NC3CCCCC3)n2)c1,0,0.0,
+COc1cccc(-c2noc(CCC(=O)Nc3cccnc3)n2)c1,0,0.0,
+COc1cccc(-c2noc(N)c2C#N)c1,0,0.0,
+COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(NC(C)=O)cc3)c2=O)c1,0,0.0,
+COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)c1,0,0.0,
+COc1cccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)c1,0,0.0,
+COc1cccc(-n2c(C)nc3c(cnn3-c3ccc(C)cc3)c2=O)c1,0,0.0,
+COc1cccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1,0,0.0,
+COc1cccc(-n2c(C)nc3ccccc3c2=O)c1,0,0.0,
+COc1cccc(-n2c(C)nnc2SCC#N)c1,0,0.0,
+COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2N2CCOCC2)c1,0,0.0,
+COc1cccc(-n2c(CNC(=O)OC(C)(C)C)n[nH]c2=S)c1,0,0.0,
+COc1cccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(N)=O)c1,0,0.0,
+COc1cccc(-n2c(COc3ccc(C)cc3)nnc2SCC(N)=O)c1,0,0.0,
+COc1cccc(-n2c(COc3ccccc3C)nnc2SCC(=O)O)c1,0,0.0,
+COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1,0,0.0,
+COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCC(C)CC2)c1,0,0.0,
+COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)c1,0,0.0,
+COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCCC2)c1,0,0.0,
+COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCCCC2)c1,0,0.0,
+COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCC2)c1,0,0.0,
+COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCCC2)c1,0,0.0,
+COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccccc2)c1,0,0.0,
+COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccnc2)c1,0,0.0,
+COc1cccc(-n2c(O)c(C=NCCN3CCOCC3)c(=O)[nH]c2=O)c1,0,0.0,
+COc1cccc(-n2c(SC)nnc2-c2c[nH]c3ccccc23)c1,0,0.0,
+COc1cccc(-n2c(SC)nnc2-c2cnccn2)c1,1,100.0,0.0
+COc1cccc(-n2c(SC3CCOC3=O)nc3ccccc3c2=O)c1,0,0.0,
+COc1cccc(-n2c(SCC#N)nnc2-c2cnccn2)c1,0,0.0,
+COc1cccc(-n2c(SCC(=O)N3CCCC3)nc3c([nH]c4ccccc43)c2=O)c1,0,0.0,
+COc1cccc(-n2c(SCC(=O)N3CCOCC3)nc3c([nH]c4ccccc43)c2=O)c1,0,0.0,
+COc1cccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2c[nH]c3ccccc23)c1,0,0.0,
+COc1cccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccoc2C)c1,0,0.0,
+COc1cccc(-n2c(SCC(=O)NC3CCCCC3)nc3n[nH]c(C)c3c2=N)c1,0,0.0,
+COc1cccc(-n2c(SCC(=O)NCCC3=CCCCC3)nc3n[nH]c(C)c3c2=N)c1,0,0.0,
+COc1cccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccoc2C)c1,0,0.0,
+COc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c([nH]c4ccccc43)c2=O)c1,0,0.0,
+COc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)c1,0,0.0,
+COc1cccc(-n2c(SCC(=O)O)nnc2-c2cccnc2)c1,0,0.0,
+COc1cccc(-n2c(SCC(=O)OC(C)C)nnc2-c2cccnc2)c1,1,100.0,
+COc1cccc(-n2c(SCC(N)=O)nc3c([nH]c4ccccc43)c2=O)c1,0,0.0,
+COc1cccc(-n2c(SCC(N)=O)nnc2-c2c[nH]c3ccccc23)c1,0,0.0,
+COc1cccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c1,0,0.0,
+COc1cccc(-n2c(SCc3c(C)noc3C)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1,0,0.0,
+COc1cccc(-n2cc(C(=O)O)c3ccccc3c2=O)c1,0,0.0,
+COc1cccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1,0,0.0,
+COc1cccc(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1cccc(-n2ccnc2SCC(=O)N2CCc3ccccc32)c1,0,0.0,
+COc1cccc(-n2ccnc2SCC(=O)NCc2ccccc2)c1,1,100.0,0.0
+COc1cccc(-n2ccnc2SCC(=O)Nc2cc(OC)ccc2OC)c1,0,0.0,
+COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2)c1,0,0.0,
+COc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1,0,0.0,
+COc1cccc(-n2cnc3cccc(N)c32)c1,0,0.0,
+COc1cccc(-n2cnc3scc(-c4cccs4)c3c2=O)c1,0,0.0,
+COc1cccc(-n2nc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3c2=O)c1,0,0.0,
+COc1cccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)c1,0,0.0,
+COc1cccc(-n2nc(C(=O)O)c3ccccc3c2=O)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(C/C=C/c4ccccc4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCC(C)CC4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCC(Cc5ccccc5)CC4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCCCC4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(CC(=O)NC4CCCC4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(Cc4c(F)cccc4Cl)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(Cc4ccc(Br)cc4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(Cc4ccc(C)cc4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(Cc4ccc(Cl)cc4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(Cc4ccc(F)cc4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(Cc4cccc(C)c4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(Cc4cccc(F)c4)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(Cc4ccccc4Cl)cnc32)c1,0,0.0,
+COc1cccc(-n2nnc3c(=O)n(Cc4ccccc4F)cnc32)c1,0,0.0,
+COc1cccc(-n2nnnc2SCC(=O)N2CCCc3ccccc32)c1,0,0.0,
+COc1cccc(-n2nnnc2SCC(=O)NCCc2ccccc2)c1,0,0.0,
+COc1cccc(-n2nnnc2SCC(=O)NCc2ccc3c(c2)OCO3)c1,0,0.0,
+COc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1,0,0.0,
+COc1cccc(-n2nnnc2SCC(=O)Nc2cccc(C)n2)c1,0,0.0,
+COc1cccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)c1,0,0.0,
+COc1cccc(-n2nnnc2SCC(=O)c2ccc(NC(C)=O)cc2)c1,0,0.0,
+COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2cccc(Cl)c2)c1,0,0.0,
+COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(Br)cc2)c1,0,0.0,
+COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccccn2)c1,0,0.0,
+COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)c1,0,0.0,
+COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccs2)c1,0,0.0,
+COc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2ccncc2)c1,0,0.0,
+COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)C2c2cccs2)c1,0,0.0,
+COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)C2c2ccccc2OC)c1,0,0.0,
+COc1cccc(/C=C/c2ccncc2)c1OC,0,0.0,
+COc1cccc(/C=C2/CN(C)CC3=C2OC(N)=C(C#N)C3c2cccc(OC)c2)c1,0,0.0,
+COc1cccc(/C=C2\N=C(SC)SC2=O)c1OC,0,0.0,
+COc1cccc(/C=N/n2c(-c3ccco3)nc3ccccc3c2=O)c1,0,0.0,
+COc1cccc(/C=N/n2c(C)c3c(C)nnc(C)c3c2C)c1O,0,0.0,
+COc1cccc(/C=N/n2c(C)nc3ccccc32)c1OC,0,0.0,
+COc1cccc(/C=N/n2c(C)nc3ccccc3c2=O)c1O,0,0.0,
+COc1cccc(/C=N/n2c(CO)nc3ccccc32)c1OC,0,0.0,
+COc1cccc(/C=N/n2c(SC)nnc2-c2ccccc2)c1O,0,0.0,
+COc1cccc(/C=N/n2c(SC)nnc2-c2ccccc2)c1OC,0,0.0,
+COc1cccc(/C=N/n2cncn2)c1OCC#N,0,0.0,
+COc1cccc(/C=N/n2cnnc2)c1OCc1ccccc1,0,0.0,
+COc1cccc(/C=N\n2c(C)nnc2C)c1OC,0,0.0,
+COc1cccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)c1OC,0,0.0,
+COc1cccc(=O)c2c(C)n(C)c(C)c12,0,0.0,
+COc1cccc(=O)c2c(C)oc(C)c12,0,0.0,
+COc1cccc(C(=O)/C=C/Nc2cc(C)ccc2O)c1,0,0.0,
+COc1cccc(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCCCC4)cc32)c1,0,0.0,
+COc1cccc(C(=O)CN2C3=NCCCN3c3ccccc32)c1,0,0.0,
+COc1cccc(C(=O)CN2CCC(NC(=O)NC3CCCCC3)CC2)c1,0,0.0,
+COc1cccc(C(=O)COC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1,0,0.0,
+COc1cccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1,0,0.0,
+COc1cccc(C(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1,0,0.0,
+COc1cccc(C(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)c1,0,0.0,
+COc1cccc(C(=O)CSc2nnc(-c3ccco3)n2CC2CCCO2)c1,0,0.0,
+COc1cccc(C(=O)CSc2nnc(-c3cccs3)o2)c1,0,0.0,
+COc1cccc(C(=O)CSc2nnc(CNS(=O)(=O)c3ccc(C)cc3)n2C)c1,0,0.0,
+COc1cccc(C(=O)CSc2nnc(CNS(C)(=O)=O)n2-c2ccc(C)cc2)c1,0,0.0,
+COc1cccc(C(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)c1,0,0.0,
+COc1cccc(C(=O)CSc2nnc(COc3cccc4cccnc34)o2)c1,0,0.0,
+COc1cccc(C(=O)CSc2nnnn2C)c1,0,0.0,
+COc1cccc(C(=O)Cn2c(=N)n(C)c3ccccc32)c1,1,100.0,1.0
+COc1cccc(C(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3ccccc32)c1,0,0.0,
+COc1cccc(C(=O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1cccc(C(=O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1cccc(C(=O)Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1cccc(C(=O)N(CN2CCCC2=O)c2cc(C)on2)c1,1,100.0,0.0
+COc1cccc(C(=O)N(CN2CCCC2=O)c2cccc(Cl)c2)c1,0,0.0,
+COc1cccc(C(=O)N(CN2CCCC2=O)c2cccc(Cl)c2)c1OC,0,0.0,
+COc1cccc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)c1,0,0.0,
+COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)c1,0,0.0,
+COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)c1,0,0.0,
+COc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2nc3ccccc3c(=O)[nH]2)c1,0,0.0,
+COc1cccc(C(=O)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)c1,0,0.0,
+COc1cccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)c1,0,0.0,
+COc1cccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1OC,0,0.0,
+COc1cccc(C(=O)N(c2ccc(OC)cc2OC)C2C=CS(=O)(=O)C2)c1,0,0.0,
+COc1cccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)c1,0,0.0,
+COc1cccc(C(=O)N2CCCc3ccccc32)c1,0,0.0,
+COc1cccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1,0,0.0,
+COc1cccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)c1OC,0,0.0,
+COc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1OC,0,0.0,
+COc1cccc(C(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)c1OC,1,100.0,
+COc1cccc(C(=O)N2CCN(CCCc3ccccc3)CC2)c1OC,0,0.0,
+COc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1OC,0,0.0,
+COc1cccc(C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1,0,0.0,
+COc1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1OC,0,0.0,
+COc1cccc(C(=O)N2CCN(Cc3ccco3)CC2)c1OC,0,0.0,
+COc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1,0,0.0,
+COc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1OC,0,0.0,
+COc1cccc(C(=O)N2CCN=C2SCc2cccnc2)c1OC,0,0.0,
+COc1cccc(C(=O)N2CCSC2=S)c1,0,0.0,
+COc1cccc(C(=O)NC(C)C(c2cccs2)N2CCN(C)CC2)c1,0,0.0,
+COc1cccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)c1,0,0.0,
+COc1cccc(C(=O)NC2=NCCS2)c1,0,0.0,
+COc1cccc(C(=O)NC2=NCCS2)c1OC,0,0.0,
+COc1cccc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccc(N(C)C)cc2)c1,0,0.0,
+COc1cccc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2)c1,0,0.0,
+COc1cccc(C(=O)NC2CCN(C(=O)N3CCCCC3)CC2)c1,0,0.0,
+COc1cccc(C(=O)NC2CCN(CC(=O)NCc3ccccc3OC)CC2)c1,0,0.0,
+COc1cccc(C(=O)NC2CCSC2=O)c1,0,0.0,
+COc1cccc(C(=O)NCC(=O)N2CCC(C)CC2)c1,0,0.0,
+COc1cccc(C(=O)NCC(=O)n2nc(C)cc2C)c1,0,0.0,
+COc1cccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3OC)CC2)c1,0,0.0,
+COc1cccc(C(=O)NCC2CCCO2)c1,0,0.0,
+COc1cccc(C(=O)NCC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1,0,0.0,
+COc1cccc(C(=O)NCCC2=CCCCC2)c1OC,0,0.0,
+COc1cccc(C(=O)NCCn2ccc3ccccc32)c1,0,0.0,
+COc1cccc(C(=O)NCc2ccccc2OC)c1,0,0.0,
+COc1cccc(C(=O)NCc2cccnc2)c1,0,0.0,
+COc1cccc(C(=O)NCc2cn3ccsc3n2)c1,0,0.0,
+COc1cccc(C(=O)NCc2n[nH]c(=S)n2-c2cccc(C)c2)c1,0,0.0,
+COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cccc(C)c2)c1,0,0.0,
+COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)c1,0,0.0,
+COc1cccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1,0,0.0,
+COc1cccc(C(=O)Nc2c(C)n[nH]c2C)c1,0,0.0,
+COc1cccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1,0,0.0,
+COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)(=O)C3)c1OC,0,0.0,
+COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S+]([O-])C3)c1OC,0,0.0,
+COc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S+]([O-])C3)c1OC,0,0.0,
+COc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1,0,0.0,
+COc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1OC,1,100.0,0.0
+COc1cccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1,0,0.0,
+COc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccc(C)cc2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1OC,0,0.0,
+COc1cccc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cn2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)nc2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cn2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)nc2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccc(NC(C)=O)cn2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)c1OC,0,0.0,
+COc1cccc(C(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c1,0,0.0,
+COc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1,0,0.0,
+COc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1,0,0.0,
+COc1cccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1,0,0.0,
+COc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1,0,0.0,
+COc1cccc(C(=O)Nc2cccc(OC(C)=O)c2)c1,0,0.0,
+COc1cccc(C(=O)Nc2cccc(SC)c2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1,0,0.0,
+COc1cccc(C(=O)Nc2cnc(NC(=O)c3ccco3)cc2C)c1,0,0.0,
+COc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1,0,0.0,
+COc1cccc(C(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)c1,0,0.0,
+COc1cccc(C(=O)Nc2ncc3c(n2)CC(C)CC3=O)c1,0,0.0,
+COc1cccc(C(=O)Nc2ncc3c(n2)CC(c2ccc(OC)cc2OC)CC3=O)c1,0,0.0,
+COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)c1,0,0.0,
+COc1cccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)c1,0,0.0,
+COc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1,0,0.0,
+COc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1,0,0.0,
+COc1cccc(C(=O)OC(C)CN2CCCC2)c1,0,0.0,
+COc1cccc(C(=O)OC2CCCN(C)C2)c1,0,0.0,
+COc1cccc(C(=O)OCC(=O)Nc2ccccc2N2CCOCC2)c1,0,0.0,
+COc1cccc(C(=O)OCCN(C)C(C)(C)C)c1,0,0.0,
+COc1cccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1OC,0,0.0,
+COc1cccc(C(=O)OCc2ccccc2C#N)c1O,0,0.0,
+COc1cccc(C(=O)OCn2nnc3ccccc3c2=O)c1,0,0.0,
+COc1cccc(C(=O)OCn2nnc3ccccc3c2=O)c1OC,0,0.0,
+COc1cccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)c1OC,0,0.0,
+COc1cccc(C(=O)SC2=NCCS2)c1,0,0.0,
+COc1cccc(C(=O)c2cc3ccc(O)cc3oc2=O)c1,0,0.0,
+COc1cccc(C(=O)c2sc(NC(C)C)nc2N)c1,0,0.0,
+COc1cccc(C(=O)n2cnnc2N)c1OC,0,0.0,
+COc1cccc(C(C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)C(C)C)c1OC,0,0.0,
+COc1cccc(C(C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)C2CC2)c1OC,0,0.0,
+COc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)c1OC,0,0.0,
+COc1cccc(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C2CC2)c1OC,0,0.0,
+COc1cccc(C(CC(=O)NCC2CCCO2)NS(=O)(=O)c2ccc(C)cc2)c1OC,0,0.0,
+COc1cccc(C(CC(=O)NCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)c1OC,0,0.0,
+COc1cccc(C(CC(=O)NCc2ccco2)NS(=O)(=O)c2ccc(C)cc2)c1OC,0,0.0,
+COc1cccc(C(N)CC(=O)O)c1,0,0.0,
+COc1cccc(C(O)CC(N)=O)c1,0,0.0,
+COc1cccc(C(O)c2cnc(C(C)C)n2C)c1OC,0,0.0,
+COc1cccc(C(c2nnnn2C(C)(C)C)N2CCN(C3CCCCC3)CC2)c1OC,0,0.0,
+COc1cccc(C(c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)c1OC,0,0.0,
+COc1cccc(C(c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCN(C)CC2)c1OC,0,0.0,
+COc1cccc(C(c2nnnn2Cc2ccc(F)cc2)N2CCC(C(N)=O)CC2)c1OC,0,0.0,
+COc1cccc(C(c2nnnn2Cc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)c1OC,1,100.0,0.0
+COc1cccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)c1OC,1,100.0,
+COc1cccc(C(c2nnnn2Cc2ccco2)N2CCN(c3cccc(C)c3C)CC2)c1OC,1,100.0,0.0
+COc1cccc(C(c2sc3nc(C)nn3c2O)N2CCN(C(=O)c3ccco3)CC2)c1,0,0.0,
+COc1cccc(C(c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3F)CC2)c1,0,0.0,
+COc1cccc(C(c2sc3nc(C)nn3c2O)N2CCc3ccccc3C2)c1,0,0.0,
+COc1cccc(C(c2sc3ncnn3c2O)N2CC(C)OC(C)C2)c1,0,0.0,
+COc1cccc(C(c2sc3ncnn3c2O)N2CCN(C(=O)c3ccco3)CC2)c1,0,0.0,
+COc1cccc(C(c2sc3ncnn3c2O)N2CCc3ccccc3C2)c1,0,0.0,
+COc1cccc(C2(O)CCN(C(=O)C3CC3)CC2)c1,0,0.0,
+COc1cccc(C2(O)CCN(C(=O)C3CCC3)CC2)c1,0,0.0,
+COc1cccc(C2(O)CCN(C(=O)c3cccs3)CC2)c1,0,0.0,
+COc1cccc(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1,0,0.0,
+COc1cccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1,0,0.0,
+COc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)O)c1,0,0.0,
+COc1cccc(C2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1,0,0.0,
+COc1cccc(C2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN2CCOCC2)c1OC,0,0.0,
+COc1cccc(C2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)c1,0,0.0,
+COc1cccc(C2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)c1OC,0,0.0,
+COc1cccc(C2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCCN(C)C)c1,0,0.0,
+COc1cccc(C2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCCN(C)C)c1OC,0,0.0,
+COc1cccc(C2/C(=C(\O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)c1,0,0.0,
+COc1cccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c1OC,0,0.0,
+COc1cccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1,0,0.0,
+COc1cccc(C2/C(=C(\O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2CCN(C)C)c1OC,0,0.0,
+COc1cccc(C2=CC(c3cc(OC)ccc3OC)n3nnnc3N2)c1,0,0.0,
+COc1cccc(C2=CC(c3ccc(C)cc3)n3ncnc3N2)c1,0,0.0,
+COc1cccc(C2=CC(c3ccc(N(C)C)cc3)n3ncnc3N2)c1,0,0.0,
+COc1cccc(C2=CC(c3ccc(N(C)C)cc3)n3nnnc3N2)c1,0,0.0,
+COc1cccc(C2=CC(c3ccc(OC)c(OC)c3OC)n3nnnc3N2)c1,0,0.0,
+COc1cccc(C2=CC(c3cccc(OC)c3OC(F)F)n3nnnc3N2)c1,0,0.0,
+COc1cccc(C2=CC(c3cccc(OC)c3OC)n3nnnc3N2)c1,0,0.0,
+COc1cccc(C2=CC(c3ccccc3)n3ncnc3N2)c1,0,0.0,
+COc1cccc(C2=CC(c3ccccc3)n3nnnc3N2)c1,0,0.0,
+COc1cccc(C2=N/C(=C\N(C)C)C(=O)O2)c1,0,0.0,
+COc1cccc(C2=NC(C)(C)NC(c3ccccc3O)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)N3CCC4(CC3)OCCO4)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)N3CCN(Cc4ccccc4)CC3)C2)c1OC,0,0.0,
+COc1cccc(C2=NOC(C(=O)N3CCN(c4ccccc4)CC3)C2)c1OC,0,0.0,
+COc1cccc(C2=NOC(C(=O)N3CCOCC3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)N3CCc4ccccc4C3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)NC(C)(C)C)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)NC(C)C)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)NC3CCCCC3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)NCC3CCCO3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)NCCN3CCOCC3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)NCc3ccccc3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)NCc3ccccn3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)NCc3ccco3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1OC,0,0.0,
+COc1cccc(C2=NOC(C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)Nc3ccc(C(C)=O)cc3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)Nc3ccc(OC)c(OC)c3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1,0,0.0,
+COc1cccc(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1OC,0,0.0,
+COc1cccc(C2=NOC(C(=O)Nc3cccnc3)C2)c1,0,0.0,
+COc1cccc(C2=NO[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1OC,0,0.0,
+COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]23)c1OC,0,0.0,
+COc1cccc(C2=Nn3c(nnc3-c3ccccc3O)SC2)c1,0,0.0,
+COc1cccc(C2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)c1,0,0.0,
+COc1cccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(c2ccco2)C3)c1OCc1ccc(F)cc1,0,0.0,
+COc1cccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1OC(=O)c1ccco1,0,0.0,
+COc1cccc(C2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1OC,0,0.0,
+COc1cccc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1OC,0,0.0,
+COc1cccc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OC,0,0.0,
+COc1cccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c1OC,0,0.0,
+COc1cccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c1,0,0.0,
+COc1cccc(C2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1OC,0,0.0,
+COc1cccc(C2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)c1,0,0.0,
+COc1cccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)c1OC,0,0.0,
+COc1cccc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nnnn32)c1OC,0,0.0,
+COc1cccc(C2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)c1,0,0.0,
+COc1cccc(C2C(C(=O)OCc3ccccc3)=C(C)Nc3ncnn32)c1OC,0,0.0,
+COc1cccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2c2cc(C)on2)c1OC,0,0.0,
+COc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)c1OC,0,0.0,
+COc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1OC,0,0.0,
+COc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1,0,0.0,
+COc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC,0,0.0,
+COc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCn2ccnc2)c1OC,0,0.0,
+COc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1OC,0,0.0,
+COc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1,0,0.0,
+COc1cccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1OC,0,0.0,
+COc1cccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)c1,0,0.0,
+COc1cccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)c1OC,0,0.0,
+COc1cccc(C2C(C(N)=O)=C(C)Nc3nc(-c4cccc(Cl)c4)nn32)c1,0,0.0,
+COc1cccc(C2C(C(N)=O)=C(C)Nc3nc(-c4ccccc4Cl)nn32)c1,0,0.0,
+COc1cccc(C2C(C(N)=O)=C(C)Nc3nc(CCCO)nn32)c1OC,0,0.0,
+COc1cccc(C2C3=C(CCCC3=O)Nc3nc(-c4cc(OC)c(OC)c(OC)c4)nn32)c1,0,0.0,
+COc1cccc(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)c1OC,0,0.0,
+COc1cccc(C2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)c1OC,0,0.0,
+COc1cccc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC,0,0.0,
+COc1cccc(C2C=C(c3ccc(Br)s3)Nc3ncnn32)c1OC,0,0.0,
+COc1cccc(C2C=C(c3ccc(OC)cc3OC)Nc3nnnn32)c1,0,0.0,
+COc1cccc(C2C=C(c3cccs3)Nc3ncnn32)c1OC,0,0.0,
+COc1cccc(C2CC(=O)C=C(NCCCN(C)C)C2)c1,0,0.0,
+COc1cccc(C2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1OC,0,0.0,
+COc1cccc(C2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1,0,0.0,
+COc1cccc(C2CC(=O)NC(SC)=C2C#N)c1,0,0.0,
+COc1cccc(C2CC(=O)NC3=C2C(=O)CCC3)c1,0,0.0,
+COc1cccc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1OC,0,0.0,
+COc1cccc(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1OC,0,0.0,
+COc1cccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1OC(C)C,0,0.0,
+COc1cccc(C2CC(C(F)(F)F)n3nc(C(=O)NCc4cccnc4)cc3N2)c1,0,0.0,
+COc1cccc(C2CC(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3N2)c1,0,0.0,
+COc1cccc(C2CC(C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3N2)c1,0,0.0,
+COc1cccc(C2CC(C(F)(F)F)n3ncc(C(=O)O)c3N2)c1,0,0.0,
+COc1cccc(C2CC(c3c(Cl)cccc3Cl)n3nc(N)nc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3c(F)cccc3Cl)n3nc(N)nc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccc(C(C)C)cc3)n3nc(N)nc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccc(C)cc3)Nc3nc(N)nn32)c1,0,0.0,
+COc1cccc(C2CC(c3ccc(C)cc3)n3nc(N)nc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccc(C)cc3)n3ncnc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccc(Cl)cc3)Nc3nc(N)nn32)c1,0,0.0,
+COc1cccc(C2CC(c3ccc(Cl)cc3)n3nc(N)nc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccc(Cl)cc3Cl)Nc3nc(N)nn32)c1,0,0.0,
+COc1cccc(C2CC(c3ccc(Cl)cc3Cl)n3nc(N)nc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)c1,0,0.0,
+COc1cccc(C2CC(c3cccc(Br)c3)n3nc(N)nc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3cccc(Br)c3)n3ncnc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3cccc(C)c3)n3ncnc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3cccc(OC)c3)n3nc(N)nc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccccc3)Nc3nc(N)nn32)c1,0,0.0,
+COc1cccc(C2CC(c3ccccc3)Nc3ncnn32)c1,0,0.0,
+COc1cccc(C2CC(c3ccccc3)n3ncnc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccccc3C)n3nc(N)nc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccccc3Cl)Nc3nc(N)nn32)c1,0,0.0,
+COc1cccc(C2CC(c3ccccc3Cl)Nc3ncnn32)c1,0,0.0,
+COc1cccc(C2CC(c3ccccc3Cl)n3nc(N)nc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccccc3Cl)n3ncnc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccccc3Cl)n3nnnc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccccc3OC)n3nc(N)nc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3ccccc3OC)n3ncnc3N2)c1,0,0.0,
+COc1cccc(C2CC(c3cccs3)Nc3ncnn32)c1,0,0.0,
+COc1cccc(C2N(c3ccc(Cl)c(Cl)c3)C(=O)C3CCCN32)c1OC,0,0.0,
+COc1cccc(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)c1,0,0.0,
+COc1cccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)c1,0,0.0,
+COc1cccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)c1OC,0,0.0,
+COc1cccc(C2N(c3ccccn3)C(=O)C3CCCN32)c1OC,0,0.0,
+COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)c1,0,0.0,
+COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1,0,0.0,
+COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1OC,0,0.0,
+COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1,0,0.0,
+COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c1,0,0.0,
+COc1cccc(C2NC(=O)NC(C)=C2C(=O)OCCSC)c1OC,0,0.0,
+COc1cccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2cccnc2)c1OC,0,0.0,
+COc1cccc(C2NC(=O)c3ccccc3O2)c1OC,0,0.0,
+COc1cccc(C2NC(C)(C(=O)O)C3C(=O)N(C(C)C)C(=O)C23)c1O,0,0.0,
+COc1cccc(C2NC(CC(C)C)(C(=O)O)C3C(=O)N(Cc4ccccc4)C(=O)C23)c1O,0,0.0,
+COc1cccc(C2NC(CCSC)(C(=O)O)C3C(=O)N(C(C)C)C(=O)C23)c1O,0,0.0,
+COc1cccc(C2Nc3ccccc3C(=O)N2O)c1O,0,0.0,
+COc1cccc(C2OC(=O)c3ccccc3N2C(C)=O)c1OC(C)=O,0,0.0,
+COc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)c1,0,0.0,
+COc1cccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1OC,0,0.0,
+COc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1,0,0.0,
+COc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1OC,0,0.0,
+COc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1,0,0.0,
+COc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1OC,0,0.0,
+COc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1,0,0.0,
+COc1cccc(C=NCCNC(=O)c2nonc2N)c1O,0,0.0,
+COc1cccc(C=Nc2cc(C)on2)c1O,0,0.0,
+COc1cccc(C=Nc2ccc3c(c2)OCCO3)c1O,0,0.0,
+COc1cccc(C=Nc2cccnc2)c1O,0,0.0,
+COc1cccc(CC(=O)NCC2COc3ccccc3O2)c1OC,1,100.0,0.0
+COc1cccc(CC(=O)Nc2nccs2)c1,0,0.0,
+COc1cccc(CC(=O)Nn2c(C)nc3ccccc3c2=O)c1,0,0.0,
+COc1cccc(CC(C(=O)Nc2cc(C)ccc2C)c2nn[nH]n2)c1OC,0,0.0,
+COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)c1,0,0.0,
+COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)c1,0,0.0,
+COc1cccc(CCC(=O)O)c1OC,0,0.0,
+COc1cccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CC2)c1,0,0.0,
+COc1cccc(CN(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1,0,0.0,
+COc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1OC,0,0.0,
+COc1cccc(CN(C)CC(=O)NC(=O)NCc2ccco2)c1,0,0.0,
+COc1cccc(CN(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1,0,0.0,
+COc1cccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1,0,0.0,
+COc1cccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1OC,0,0.0,
+COc1cccc(CN(Cc2ccco2)C(c2ccc(F)cc2)c2nnnn2C(C)(C)C)c1,0,0.0,
+COc1cccc(CN2C(=O)C3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3ccccc32)c1,0,0.0,
+COc1cccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCC2)c1,1,100.0,0.0
+COc1cccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCCC2)c1,0,0.0,
+COc1cccc(CN2C(=O)CN(C3CCCCC3)C(=O)C2c2ccc(F)cc2)c1,0,0.0,
+COc1cccc(CN2CCCC(C(=O)N3CCCCC3)C2)c1OC,0,0.0,
+COc1cccc(CN2CCCCC2c2cccnc2)c1,0,0.0,
+COc1cccc(CN2CCCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1,1,100.0,1.0
+COc1cccc(CN2CCN(C(=O)CC(C)C)CC2)c1,0,0.0,
+COc1cccc(CN2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1,0,0.0,
+COc1cccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1,0,0.0,
+COc1cccc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)c1OC,0,0.0,
+COc1cccc(CN2CCN(C(=O)c3ccco3)CC2)c1OC,0,0.0,
+COc1cccc(CN2CCN(C(=O)c3cccs3)CC2)c1OC,0,0.0,
+COc1cccc(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1,0,0.0,
+COc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1OC,0,0.0,
+COc1cccc(CN2CCN(c3ncccn3)CC2)c1,0,0.0,
+COc1cccc(CN2CCNC(=O)C2CC(=O)O)c1OC,0,0.0,
+COc1cccc(CN=CC2=C(O)CC(C)(C)CC2=O)c1OC,0,0.0,
+COc1cccc(CNC(=O)C(CCSC)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)c1,1,100.0,0.0
+COc1cccc(CNC(=O)C2CCCN(c3nn4c(=O)cc(C)nc4s3)C2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCN(S(=O)(=O)N3CC(C)CC(C)C3)CC2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1,0,0.0,
+COc1cccc(CNC(=O)C2CCN(c3cnccn3)CC2)c1,0,0.0,
+COc1cccc(CNC(=O)CCCNS(=O)(=O)c2cccs2)c1,0,0.0,
+COc1cccc(CNC(=O)CCNS(=O)(=O)c2cccs2)c1,0,0.0,
+COc1cccc(CNC(=O)CCS(=O)(=O)c2cccc3nonc23)c1,0,0.0,
+COc1cccc(CNC(=O)CCS(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+COc1cccc(CNC(=O)CCn2c(=O)oc3ccccc32)c1,1,100.0,0.0
+COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,0,0.0,
+COc1cccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+COc1cccc(CNC(=O)Cn2c(=O)oc3ccccc32)c1OC,0,0.0,
+COc1cccc(CNC(=O)Cn2cc3c(n2)CCCC3)c1,0,0.0,
+COc1cccc(CNC(=O)Cn2cc3c(n2)CCCCC3)c1,0,0.0,
+COc1cccc(CNC(=O)Cn2cccc2)c1,0,0.0,
+COc1cccc(CNC(=O)c2cc3ccccn3n2)c1,0,0.0,
+COc1cccc(CNC(=O)c2cc3oc4ccccc4c3n2C)c1OC,0,0.0,
+COc1cccc(CNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)c1,0,0.0,
+COc1cccc(CNC(=O)c2ccc3nc[nH]c3c2)c1,0,0.0,
+COc1cccc(CNC(=O)c2ccccc2N)c1,0,0.0,
+COc1cccc(CNC(=O)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c2N)c1,0,0.0,
+COc1cccc(CNC2CCCC2)c1,0,0.0,
+COc1cccc(CNC2CN3CCC2CC3)c1OC,1,100.0,1.0
+COc1cccc(CNCC(=O)N2C(C)CCCC2C)c1,0,0.0,
+COc1cccc(CNCCOCCO)c1OC,0,0.0,
+COc1cccc(CNCCSc2nnnn2C)c1,0,0.0,
+COc1cccc(CNCc2ccccn2)c1OC,0,0.0,
+COc1cccc(CNS(=O)(=O)c2cn(C)cn2)c1,0,0.0,
+COc1cccc(CNc2ccc(Br)cn2)c1O,0,0.0,
+COc1cccc(CNc2ccc(F)c(Cl)c2)c1O,0,0.0,
+COc1cccc(CNc2ccc(N3CCCCC3)cc2)c1OC,0,0.0,
+COc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O,0,0.0,
+COc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1OC,0,0.0,
+COc1cccc(CNc2ccc3c(c2)ncn3C(C)C)c1OC,0,0.0,
+COc1cccc(CNc2cccc3cccnc23)c1O,0,0.0,
+COc1cccc(CNc2nc3ccccc3n2CCN2CCCCC2)c1,1,100.0,0.0
+COc1cccc(CNc2nc3ccccc3n2CCN2CCCCC2)c1OC,0,0.0,
+COc1cccc(CNc2nc3nc(C)c(Cl)c(C)n3n2)c1,0,0.0,
+COc1cccc(CNc2nc3nc(C)cc(C)n3n2)c1,0,0.0,
+COc1cccc(CNc2ncc(Br)cc2Br)c1O,0,0.0,
+COc1cccc(CNc2nn[nH]n2)c1OC,0,0.0,
+COc1cccc(CNn2c(-c3cccc(C)c3)nc3ccccc3c2=O)c1O,0,0.0,
+COc1cccc(CNn2cnnc2)c1OCc1ccc(F)cc1,0,0.0,
+COc1cccc(CNn2cnnc2)c1OCc1ccccc1F,0,0.0,
+COc1cccc(COc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,0,0.0,
+COc1cccc(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)c1,0,0.0,
+COc1cccc(CSc2nnc(-c3ccc(F)cc3)o2)c1,0,0.0,
+COc1cccc(CSc2nnc(-c3ccccc3F)o2)c1,0,0.0,
+COc1cccc(CSc2nnc(-c3ccco3)n2C)c1,0,0.0,
+COc1cccc(Cn2c(-c3cccs3)noc2=O)c1,0,0.0,
+COc1cccc(Cn2c(-c3nonc3N)nc3ccccc32)c1,0,0.0,
+COc1cccc(Cn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)c1,0,0.0,
+COc1cccc(Cn2c(C3CC3)nc3ccc(NC(=O)c4ccco4)cc3c2=O)c1,0,0.0,
+COc1cccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)c1OC,0,0.0,
+COc1cccc(Cn2c(NCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1cccc(Cn2c(NCc3ccccn3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1cccc(Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1cccc(Cn2c(OCC3CCCO3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1cccc(Cn2c(Oc3cccc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1cccc(Cn2c(Oc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+COc1cccc(Cn2cccc(NC(=O)NC3CCCCC3)c2=O)c1,0,0.0,
+COc1cccc(Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)c1,0,0.0,
+COc1cccc(Cn2nnc(C(=O)NCc3ccccc3Cl)c2N)c1,0,0.0,
+COc1cccc(Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)c1,0,0.0,
+COc1cccc(Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)c1,0,0.0,
+COc1cccc(Cn2nnc(C(=O)Nc3ccc(C)cc3)c2N)c1,0,0.0,
+COc1cccc(Cn2nnc3c(=O)[nH]c(C4CCCN(C(=O)c5ccccc5Cl)C4)nc32)c1,0,0.0,
+COc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccncc2)c1,0,0.0,
+COc1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2cccnc2)c1,0,0.0,
+COc1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1,0,0.0,
+COc1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1,0,0.0,
+COc1cccc(N(C(=O)c2cccs2)c2nc3ccccc3s2)c1,0,0.0,
+COc1cccc(N(C(=O)c2ccn[nH]2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)c1,0,0.0,
+COc1cccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)c1,0,0.0,
+COc1cccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)c1,0,0.0,
+COc1cccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1,0,0.0,
+COc1cccc(N(CC(=O)NC(C)(C)C)C(=O)C2CSC(=O)C2)c1,0,0.0,
+COc1cccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)c1,0,0.0,
+COc1cccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1,0,0.0,
+COc1cccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1,0,0.0,
+COc1cccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1,0,0.0,
+COc1cccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)c1,0,0.0,
+COc1cccc(N(CC(=O)Nc2cccc(F)c2)S(C)(=O)=O)c1,0,0.0,
+COc1cccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1,0,0.0,
+COc1cccc(N(CC(=O)Nc2ccccc2C)S(C)(=O)=O)c1,0,0.0,
+COc1cccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1,0,0.0,
+COc1cccc(N2C(=O)C(CC(=O)Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)c1,0,0.0,
+COc1cccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(C3CCCCC3)C2=O)c1,0,0.0,
+COc1cccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccc(OC)c(OC)c2)c1,1,100.0,
+COc1cccc(N2C(=O)C3C(C2=O)C2C=CC3C23CC3)c1,1,100.0,0.0
+COc1cccc(N2C(=O)C3CC=C(Cl)CC3C2=O)c1,0,0.0,
+COc1cccc(N2C(=O)C3CCCN3C2c2ccc(Cl)cc2)c1,0,0.0,
+COc1cccc(N2C(=O)C3CCCN3C2c2ccc(F)cc2)c1,0,0.0,
+COc1cccc(N2C(=O)C3CCCN3C2c2ccc(N(C)C)cc2)c1,0,0.0,
+COc1cccc(N2C(=O)C3ON(c4ccccc4)C(c4cccs4)C3C2=O)c1,0,0.0,
+COc1cccc(N2C(=O)CC(=O)NC2=O)c1,0,0.0,
+COc1cccc(N2C(=O)CC(N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)c1,0,0.0,
+COc1cccc(N2C(=O)CC(N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1,0,0.0,
+COc1cccc(N2C(=O)CC(N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)c1,0,0.0,
+COc1cccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)c1,0,0.0,
+COc1cccc(N2C(=O)CC(c3c[nH]c4ccccc34)C2=O)c1,0,0.0,
+COc1cccc(N2C(=O)N(c3ccccc3)C3CS(=O)(=O)CC32)c1,0,0.0,
+COc1cccc(N2C(=O)N(c3ccccc3Cl)C3CS(=O)(=O)CC32)c1,0,0.0,
+COc1cccc(N2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)c1,0,0.0,
+COc1cccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NCc2ccc3c(c2)OCO3)c1,0,0.0,
+COc1cccc(N2C(=O)c3ccncc3C2=O)c1,0,0.0,
+COc1cccc(N2C(N)=NC(N)=NC2(C)C)c1,0,0.0,
+COc1cccc(N2CC(C(=O)NC3CCCCC3)CC2=O)c1,0,0.0,
+COc1cccc(N2CC(C(=O)Nc3c(C)cccc3C)CC2=O)c1,0,0.0,
+COc1cccc(N2CC(C(=O)OC(C)C(=O)c3ccccc3)CC2=O)c1,0,0.0,
+COc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1,0,0.0,
+COc1cccc(N2CC(O)=C(c3nc4ccccc4c(=O)[nH]3)C2=N)c1,0,0.0,
+COc1cccc(N2CC(O)Cn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c1,0,0.0,
+COc1cccc(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)c1,0,0.0,
+COc1cccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1,0,0.0,
+COc1cccc(N2CCN(C(=O)C3C4C=CC5(CN(Cc6ccccc6Cl)C(=O)C35)O4)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C(=O)CCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C(=O)c3ccc(=O)oc3)CC2C)c1,0,0.0,
+COc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)NC5CC4(C)Oc4ccccc45)cc3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C3CCCC(C)C3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(C3OC(=O)c4ccccc43)CC2)c1,0,0.0,
+COc1cccc(N2CCN(CC(=O)NCc3cccs3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(CC(=O)Nc3nc4c(s3)CC(C)CC4)CC2)c1,0,0.0,
+COc1cccc(N2CCN(CC(=O)Nc3nnc(-c4ccccc4)s3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(CC(=O)c3c[nH]c4ccc(OC)cc34)CC2C)c1,0,0.0,
+COc1cccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(Cc3cccc(Cl)c3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(Cc3cccnc3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)c1,0,0.0,
+COc1cccc(N2CCN(Cc3nc(N)nc(N4CCCc5ccccc54)n3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4)n3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4OC)n3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(S(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(c3c4c(nc5ncnn35)CCC4)CC2)c1,0,0.0,
+COc1cccc(N2CCN(c3ncccn3)CC2)c1,0,0.0,
+COc1cccc(N2CCN(c3ncnc4c3[nH]c3ccc(F)cc34)CC2C)c1,1,100.0,
+COc1cccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2C)c1,1,100.0,
+COc1cccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)cc3C)CC2)c1,0,0.0,
+COc1cccc(N=C2SC(C(=O)Nc3ccc(F)cc3)CC(=O)N2C)c1,0,0.0,
+COc1cccc(N=C2SC(C(=O)Nc3ccccc3F)CC(=O)N2C)c1,0,0.0,
+COc1cccc(N=Cc2ccc(O)cc2O)c1,0,0.0,
+COc1cccc(NC(=O)C(C#N)Cc2ccncc2)c1,0,0.0,
+COc1cccc(NC(=O)C(C)Oc2ccccc2)c1,0,0.0,
+COc1cccc(NC(=O)C2C3C=CC4(O3)C2C(=O)N(C(C)C)C4C(=O)NC2CCCCC2C)c1,0,0.0,
+COc1cccc(NC(=O)C2C3C=CC4(O3)C2C(=O)N(C2CC2)C4C(=O)NC2CCCCC2C)c1,0,0.0,
+COc1cccc(NC(=O)C2C3CC4OC(=O)C2C4C3)c1,0,0.0,
+COc1cccc(NC(=O)C2CC(=O)N(C)C(=Nc3cccc(F)c3)S2)c1,0,0.0,
+COc1cccc(NC(=O)C2CC(=O)N=C(N)S2)c1,0,0.0,
+COc1cccc(NC(=O)C2CC(=O)OC23CCOC(C)(C)C3)c1,0,0.0,
+COc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1,0,0.0,
+COc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1,0,0.0,
+COc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1,0,0.0,
+COc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1,0,0.0,
+COc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(F)c2)c1,0,0.0,
+COc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2F)c1,0,0.0,
+COc1cccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)c1,0,0.0,
+COc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1,0,0.0,
+COc1cccc(NC(=O)C2CCN(c3ncccn3)CC2)c1,0,0.0,
+COc1cccc(NC(=O)CC2(CC(=O)O)CCCC2)c1,0,0.0,
+COc1cccc(NC(=O)CC2SC(=Nc3ccccc3)NC2=O)c1,0,0.0,
+COc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)c1,0,0.0,
+COc1cccc(NC(=O)CCP(C)(=O)O)c1,0,0.0,
+COc1cccc(NC(=O)CCS(=O)(=O)c2cccs2)c1,0,0.0,
+COc1cccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)c1,0,0.0,
+COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1,0,0.0,
+COc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)c1,0,0.0,
+COc1cccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1,0,0.0,
+COc1cccc(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)c1,0,0.0,
+COc1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1,0,0.0,
+COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1,0,0.0,
+COc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1,0,0.0,
+COc1cccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c1,0,0.0,
+COc1cccc(NC(=O)CNC(=O)c2ccc(F)cc2)c1,0,0.0,
+COc1cccc(NC(=O)CNC(=O)c2ccccc2)c1,0,0.0,
+COc1cccc(NC(=O)CNC(C)CCC(C)C)c1,0,0.0,
+COc1cccc(NC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)c1,0,0.0,
+COc1cccc(NC(=O)COC(=O)c2cccnc2)c1,0,0.0,
+COc1cccc(NC(=O)COC(=O)c2ccco2)c1,0,0.0,
+COc1cccc(NC(=O)COc2ccc(N3CC(C(=O)NCC(C)C)CC3=O)cc2)c1,0,0.0,
+COc1cccc(NC(=O)COc2ccccc2C(N)=O)c1,0,0.0,
+COc1cccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)c1,0,0.0,
+COc1cccc(NC(=O)CSCc2n[nH]c(=O)[nH]2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2ccccn2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=N)n2-c2cccc(OC)c2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nccn2-c2cccc(OC)c2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccccn4)nc4ccccc34)o2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1,1,100.0,0.0
+COc1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2C)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nnc(C)s2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nncn2-c2ccccn2)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nncn2N)c1,0,0.0,
+COc1cccc(NC(=O)CSc2nnnn2C(C)C)c1,0,0.0,
+COc1cccc(NC(=O)Cc2c(O)c3ccccc3[nH]c2=O)c1,0,0.0,
+COc1cccc(NC(=O)Cc2ccccc2)c1,0,0.0,
+COc1cccc(NC(=O)Cc2cccs2)c1,0,0.0,
+COc1cccc(NC(=O)Cc2cn(C)c3ccccc23)c1,0,0.0,
+COc1cccc(NC(=O)Cc2nnc(SCC(=O)c3ccccc3)n2C)c1,0,0.0,
+COc1cccc(NC(=O)Cc2nnc(SCCOc3ccccc3)n2C)c1,0,0.0,
+COc1cccc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)c1,0,0.0,
+COc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1,0,0.0,
+COc1cccc(NC(=O)Cn2c(SCC(=O)N3CCOCC3)nc3ccccc32)c1,0,0.0,
+COc1cccc(NC(=O)Cn2cc3c(n2)CCCCC3)c1,0,0.0,
+COc1cccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(C)CC4)c3c2=O)c1,0,0.0,
+COc1cccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1,0,0.0,
+COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3)c2N)c1,0,0.0,
+COc1cccc(NC(=O)N(CCCN2CCOCC2)C(C)c2cc3cccc(OC)c3o2)c1,0,0.0,
+COc1cccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)CC2COCCO2)c1,0,0.0,
+COc1cccc(NC(=O)N(Cc2ccco2)C(C)c2cccs2)c1,0,0.0,
+COc1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)c1,0,0.0,
+COc1cccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1,0,0.0,
+COc1cccc(NC(=O)N2CCC(N3CCCCC3)CC2)c1,0,0.0,
+COc1cccc(NC(=O)N2CCCC(C(=O)Nc3ccccc3OC)C2)c1,0,0.0,
+COc1cccc(NC(=O)N2CCCC2C(=O)NC(C)C)c1,0,0.0,
+COc1cccc(NC(=O)N2CCCC2C(=O)NC2CC2)c1,0,0.0,
+COc1cccc(NC(=O)N2CCCC2C(=O)NCC(C)C)c1,0,0.0,
+COc1cccc(NC(=O)N2CCCC2C(=O)Nc2ccc3c(c2)OCO3)c1,0,0.0,
+COc1cccc(NC(=O)N2CCN(C(=O)C(Cc3ccc(OC)c(OC)c3)NC(C)=O)CC2)c1,0,0.0,
+COc1cccc(NC(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1,0,0.0,
+COc1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1,0,0.0,
+COc1cccc(NC(=O)N2CCN(c3cccc(C)c3)C(C)C2)c1,0,0.0,
+COc1cccc(NC(=O)N2CCN(c3cccc(C)c3C)CC2)c1,0,0.0,
+COc1cccc(NC(=O)N2CCOCC2)c1,0,0.0,
+COc1cccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c1,0,0.0,
+COc1cccc(NC(=O)NC2CCN(Cc3nnnn3Cc3ccc(F)cc3)CC2)c1,0,0.0,
+COc1cccc(NC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c1,0,0.0,
+COc1cccc(NC(=O)NCc2cccn2C)c1,0,0.0,
+COc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1,0,0.0,
+COc1cccc(NC(=O)Nc2cc(C)ccc2F)c1,0,0.0,
+COc1cccc(NC(=O)Nc2cccs2)c1,0,0.0,
+COc1cccc(NC(=O)Nc2nnc(N3CCCCC3C)s2)c1,0,0.0,
+COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1,0,0.0,
+COc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(OC)c3)n(C)n2)c1,0,0.0,
+COc1cccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1,0,0.0,
+COc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1,0,0.0,
+COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1,0,0.0,
+COc1cccc(NC(=O)c2ccc3c(c2)N(CC(=O)N2CCCCC2)C(=O)C(C)(C)O3)c1,0,0.0,
+COc1cccc(NC(=O)c2cccc(OC)c2OC)c1,0,0.0,
+COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)c1,0,0.0,
+COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1,0,0.0,
+COc1cccc(NC(=O)c2ccccc2-c2nc(-c3cccc(C)c3)no2)c1,0,0.0,
+COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)c1,0,0.0,
+COc1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1,0,0.0,
+COc1cccc(NC(=O)c2ccccc2SC)c1,0,0.0,
+COc1cccc(NC(=O)c2cccnc2)c1,0,0.0,
+COc1cccc(NC(=O)c2ccco2)c1,0,0.0,
+COc1cccc(NC(=O)c2cccs2)c1,0,0.0,
+COc1cccc(NC(=O)c2ccncc2)c1,0,0.0,
+COc1cccc(NC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)c1,0,0.0,
+COc1cccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1,0,0.0,
+COc1cccc(NC(=O)c2nc3ncccn3n2)c1,0,0.0,
+COc1cccc(NC(=O)c2ncn[nH]2)c1,0,0.0,
+COc1cccc(NC(=O)c2nnn(CCc3ccccc3)c2N)c1,0,0.0,
+COc1cccc(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1,0,0.0,
+COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)c1,1,100.0,0.0
+COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)c1,0,0.0,
+COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)c1,0,0.0,
+COc1cccc(NC(=O)c2oc3ccccc3c2NC(C)=O)c1,0,0.0,
+COc1cccc(NC(=O)c2ocnc2C)c1,0,0.0,
+COc1cccc(NC(=O)n2nc(N)cc2-c2ccc(Cl)cc2)c1,0,0.0,
+COc1cccc(NC(C)C(=O)N2CC(C)OC(C)C2)c1,0,0.0,
+COc1cccc(NC2=CC(=O)CC(C)(C)C2)c1,0,0.0,
+COc1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,0,0.0,
+COc1cccc(NC2=NCC(=O)N2Cc2cccs2)c1,0,0.0,
+COc1cccc(NC2CC(=O)N(CCc3ccccc3)C2=O)c1,0,0.0,
+COc1cccc(NC2SC(=O)N(c3ccccc3)C2=O)c1,0,0.0,
+COc1cccc(NC2c3ccccc3C(=O)N2Cc2ccco2)c1,0,0.0,
+COc1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1,0,0.0,
+COc1cccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2cc(C)ccc2OC)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2cc(C)sc2C)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CC4)c(=O)c3c2)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC(C)C)c(=O)c3c2)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCOC(C)C)c(=O)c3c2)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCN4CCOCC4)c(=O)c3c2)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1,0,0.0,
+COc1cccc(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1,0,0.0,
+COc1cccc(Nc2c(F)c(F)c(F)c(F)c2C(=O)O)c1,0,0.0,
+COc1cccc(Nc2c(F)c(OC)c(F)c(F)c2C(=O)O)c1,0,0.0,
+COc1cccc(Nc2cc(C)nc3ccccc23)c1,0,0.0,
+COc1cccc(Nc2cc(C)nc3nc(C)nn23)c1,0,0.0,
+COc1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1,0,0.0,
+COc1cccc(Nc2nc(=O)[nH]nc2C)c1,0,0.0,
+COc1cccc(Nc2nc(N)nc(C(F)(F)F)n2)c1,0,0.0,
+COc1cccc(Nc2ncc(C(=O)O)c3ccccc23)c1,0,0.0,
+COc1cccc(Nc2ncccc2C(=O)NCc2ccccc2)c1,0,0.0,
+COc1cccc(Nc2ncccc2C(=O)O)c1,0,0.0,
+COc1cccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1,0,0.0,
+COc1cccc(Nc2ncnc3c2cnn3C)c1,0,0.0,
+COc1cccc(Nc2nnc(SCC(=O)N3CC(C)OC(C)C3)s2)c1,0,0.0,
+COc1cccc(Nc2nnc(SCC(=O)N3CCOCC3)s2)c1,0,0.0,
+COc1cccc(Nc2nnc(SCn3nnc4ccccc4c3=O)s2)c1,0,0.0,
+COc1cccc(OC(=O)CSc2nnc(-c3ccccc3Br)o2)c1,0,0.0,
+COc1cccc(OC)c1-c1nn2c(-c3cc(-c4ccccc4)n[nH]3)nnc2s1,0,0.0,
+COc1cccc(OC)c1-c1nn2c(-c3ccccc3Cl)nnc2s1,0,0.0,
+COc1cccc(OC)c1-c1nn2c(-c3ccco3)nnc2s1,0,0.0,
+COc1cccc(OC)c1-c1nnc(-c2cn(C)c3ccccc23)o1,0,0.0,
+COc1cccc(OC)c1/C(O)=C(\C#N)c1nc2ccccc2[nH]1,0,0.0,
+COc1cccc(OC)c1C(=O)N1CC(C)OC(C)C1,0,0.0,
+COc1cccc(OC)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+COc1cccc(OC)c1C(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1,1,100.0,0.0
+COc1cccc(OC)c1C(=O)N1CCN(Cc2ccccc2C)CC1,0,0.0,
+COc1cccc(OC)c1C(=O)N1CCN(Cc2ccncc2)CC1,0,0.0,
+COc1cccc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1,0,0.0,
+COc1cccc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+COc1cccc(OC)c1C(=O)N1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn23)CC1,0,0.0,
+COc1cccc(OC)c1C(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+COc1cccc(OC)c1C(=O)N1CCN=C1SCc1cccnc1,0,0.0,
+COc1cccc(OC)c1C(=O)N1CCOCC1,0,0.0,
+COc1cccc(OC)c1C(=O)NCCN1CCN(C(=O)c2c(OC)cccc2OC)CC1,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1cc(Cl)ccc1N1CCOCC1,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1ccc(CN2CCCCC2)cc1,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1ccc(CN2CCOCC2)cc1,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1cccc(C(C)=O)c1,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)N1CCOCC1,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCCC1,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,0,0.0,
+COc1cccc(OC)c1C(=O)Nc1nnc(C(C)C)s1,0,0.0,
+COc1cccc(OC)c1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O,0,0.0,
+COc1cccc(OC)c1C(=O)n1nc(C)cc1C,0,0.0,
+COc1cccc(OC)c1C1=NCC(=O)Nc2c1oc1ccc(Br)cc21,0,0.0,
+COc1cccc(OC)c1NC(=O)C1CCCN1C(=O)NCc1ccccc1,0,0.0,
+COc1cccc(OC)c1NC(=O)Cc1nn(C)c(=O)c2ccccc12,0,0.0,
+COc1cccc(OC)c1OCC(C)CNCC1CCCO1,0,0.0,
+COc1cccc(OC)c1OCC(O)CN1CCN(c2ccccc2)CC1,0,0.0,
+COc1cccc(OC)c1OCCCCCc1c(C)n[nH]c1C,0,0.0,
+COc1cccc(OC)c1OCCCCN1CCCC1,0,0.0,
+COc1cccc(OC)c1OCCCN1CCOCC1,0,0.0,
+COc1cccc(OC)c1OCCCOc1c(OC)cccc1OC,0,0.0,
+COc1cccc(OC)c1OCCCSc1nc(C)cc(=O)[nH]1,0,0.0,
+COc1cccc(OC)c1OCCCc1c(C)n[nH]c1C,0,0.0,
+COc1cccc(OC)c1OCCN1CCN(C(=O)c2ccco2)CC1,0,0.0,
+COc1cccc(OC)c1OCCNCCO,0,0.0,
+COc1cccc(OC)c1OCCOCCn1cnc2ccccc2c1=O,0,0.0,
+COc1cccc(OC)c1Oc1ccc(C(F)(F)F)cn1,0,0.0,
+COc1cccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1,0,0.0,
+COc1cccc(OCC(=O)N2CCN(C)CC2)c1,0,0.0,
+COc1cccc(OCC(=O)NC2CCCCC2)c1,0,0.0,
+COc1cccc(OCC(=O)Nc2c(C(=O)Nc3ccc(OC)cc3OC)oc3ccccc23)c1,0,0.0,
+COc1cccc(OCC(=O)Nc2ccc(OC)c(OC)c2)c1,0,0.0,
+COc1cccc(OCC(=O)Nc2ccccc2C(N)=O)c1,0,0.0,
+COc1cccc(OCC(=O)Nc2ccccc2NC(C)=O)c1,0,0.0,
+COc1cccc(OCC(O)CN(CCO)Cc2ccccc2)c1,0,0.0,
+COc1cccc(OCC(O)CN2C(C)CCCC2C)c1,0,0.0,
+COc1cccc(OCC(O)CN2CC(C)CC(C)C2)c1,0,0.0,
+COc1cccc(OCC(O)CN2CCC(C)CC2)c1,0,0.0,
+COc1cccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)c1,1,100.0,1.0
+COc1cccc(OCC(O)CN2CCN(CCO)CC2)c1,0,0.0,
+COc1cccc(OCC(O)CN2CCOCC2)c1,0,0.0,
+COc1cccc(OCC(O)CO)c1,0,0.0,
+COc1cccc(OCCCCCN2CCOCC2)c1,0,0.0,
+COc1cccc(OCCCCN2CCCCC2)c1,1,100.0,1.0
+COc1cccc(OCCCCSc2ncccn2)c1,0,0.0,
+COc1cccc(OCCCN2CCCCC2)c1,0,0.0,
+COc1cccc(OCCN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1,0,0.0,
+COc1cccc(OCCNC(=O)c2cccc(OC)c2)c1,0,0.0,
+COc1cccc(OCCOCCN(C)CCO)c1,0,0.0,
+COc1cccc(OCCOCCNCCO)c1,0,0.0,
+COc1cccc(OCCOc2c(OC)cccc2OC)c1,0,0.0,
+COc1cccc(OCCOc2cccc(/C=N/n3cnnc3)c2)c1,1,100.0,0.0
+COc1cccc(OCCSc2nnc3sc4ccccc4n23)c1,0,0.0,
+COc1cccc(OCCn2c(C)c(/C=N/n3cnnc3)c3ccccc32)c1,0,0.0,
+COc1cccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)c1,0,0.0,
+COc1cccc(OCCn2ccnc2)c1,0,0.0,
+COc1cccc(OCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)c1,0,0.0,
+COc1cccc(OCc2nc3ccccc3[nH]2)c1,0,0.0,
+COc1cccc(OCc2nc3ccccc3c(=O)n2N)c1,0,0.0,
+COc1cccc(OCc2nc3ncc(Br)cc3[nH]2)c1,0,0.0,
+COc1cccc(OCc2nnc(SC)n2C)c1,0,0.0,
+COc1cccc(OCc2nnc(SCC(=O)NCc3ccco3)n2CCc2ccccc2)c1,0,0.0,
+COc1cccc(OCc2nnc(SCC(=O)OC3CCCCC3)n2C)c1,0,0.0,
+COc1cccc(OCc2nnc(SCC(=O)OCc3ccccc3)o2)c1,0,0.0,
+COc1cccc(Oc2c(C)oc3c(CN4CCOCC4)c(O)ccc3c2=O)c1,0,0.0,
+COc1cccc(Oc2c(C)oc3cc(OC(=O)N(C)C)ccc3c2=O)c1,0,0.0,
+COc1cccc(Oc2ccc(N)cc2)c1,0,0.0,
+COc1cccc(Oc2ccc(N)cn2)c1,0,0.0,
+COc1cccc(Oc2cn[nH]c2-c2ccc(O)cc2O)c1,0,0.0,
+COc1cccc(Oc2cn[nH]c2-c2ccc(OC)cc2O)c1,0,0.0,
+COc1cccc(Oc2cnc(N)nc2-c2ccc(OC)cc2O)c1,0,0.0,
+COc1cccc(Oc2coc3c(CN4CCOCC4)c(O)ccc3c2=O)c1,0,0.0,
+COc1cccc(Oc2nc3ncn(Cc4ccccc4)c3c(=O)n2C)c1,0,0.0,
+COc1cccc(Oc2nnnn2-c2ccccc2)c1,0,0.0,
+COc1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1,0,0.0,
+COc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCC3CCCO3)cc2)c1,0,0.0,
+COc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)c1,0,0.0,
+COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)c1,0,0.0,
+COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1,0,0.0,
+COc1cccc(S(=O)(=O)Nc2ccc3sc(C)nc3c2)c1,0,0.0,
+COc1cccc(S(=O)(=O)Nc2cccnc2)c1,0,0.0,
+COc1cccc2[nH]c3c(=O)n(CCN(C)C)cnc3c12,0,0.0,
+COc1cccc2[nH]c3c(N4CCC(C(N)=O)CC4)ncnc3c12,0,0.0,
+COc1cccc2[nH]c3c(N4CCC(C)CC4)ncnc3c12,0,0.0,
+COc1cccc2[nH]c3c(N4CCCC(C)C4)ncnc3c12,0,0.0,
+COc1cccc2[nH]c3c(N4CCCCC4)ncnc3c12,0,0.0,
+COc1cccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c12,0,0.0,
+COc1cccc2c(=O)c(C(=O)NCc3cccs3)c[nH]c12,0,0.0,
+COc1cccc2c(=O)c(C/C=C(/C)Cl)c(C)[nH]c12,0,0.0,
+COc1cccc2c(=O)c(SC(F)(F)C(F)C(F)(F)F)c(C)[nH]c12,0,0.0,
+COc1cccc2c(=O)c3c(cnn3C)n(C)c12,0,0.0,
+COc1cccc2c(=O)cc(C)n(CC(=O)Nc3ccc(C)c(C)c3)c12,0,0.0,
+COc1cccc2c(=O)n(CC(=O)N3CCCCCC3)ccc12,0,0.0,
+COc1cccc2c(=O)n(CC(=O)N3CCCc4ccccc43)ccc12,0,0.0,
+COc1cccc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)ccc12,0,0.0,
+COc1cccc2c(=O)n(CC(=O)NC3CCCC3)ccc12,0,0.0,
+COc1cccc2c(=O)n(CC(=O)NC3CCCCC3)ccc12,0,0.0,
+COc1cccc2c(=O)n(CC(=O)Nc3cccc(F)c3)ccc12,0,0.0,
+COc1cccc2c(C)c(C(=O)O)[nH]c12,0,0.0,
+COc1cccc2c(C)nc(Nc3nc(CSc4nnc(C)s4)cc(=O)[nH]3)nc12,0,0.0,
+COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,1,100.0,
+COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,0,0.0,
+COc1cccc2c1N1C(=O)c3c(C(=O)O)cccc3C1CC2(C)C,0,0.0,
+COc1cccc2c1NC(C(=O)O)C1CC=CC21,0,0.0,
+COc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1,0,0.0,
+COc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1,0,0.0,
+COc1cccc2c1nc(C)c1cc(C)oc12,0,0.0,
+COc1cccc2c3c(c(C)nc12)CC(C)O3,0,0.0,
+COc1cccc2cc(-c3cn4cccc(C)c4n3)c(=O)oc12,0,0.0,
+COc1cccc2cc(-c3csc(CCn4nc(C)cc4C)n3)c(=O)oc12,0,0.0,
+COc1cccc2cc(-c3nc(-c4cccs4)cs3)c(=O)oc12,0,0.0,
+COc1cccc2cc(-c3nnc(SCC(=O)NCc4ccccc4)n3C)oc12,0,0.0,
+COc1cccc2cc(-c3nnc(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)n3N)oc12,0,0.0,
+COc1cccc2cc(-c3nnc(SCC(=O)Nc4nc(C)cs4)n3C)oc12,0,0.0,
+COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)C3c3ccncc3)oc12,0,0.0,
+COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)C3c3ccncc3)oc12,0,0.0,
+COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)C3c3ccc(F)cc3)oc12,0,0.0,
+COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)C3c3cccs3)oc12,0,0.0,
+COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)C3c3cccnc3)oc12,0,0.0,
+COc1cccc2cc(C(=O)N(C)C)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)N(C)C3CCN(C)CC3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c(=O)oc12,1,100.0,1.0
+COc1cccc2cc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)N3CCN(c4ccccc4F)CC3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)N3CCN(c4ncccn4)CC3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)N3CCc4ccccc43)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)N3CCc4ccccc4C3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)NC(C)C3CCCO3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)NCC3CCCO3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)Nc3cccc(C)n3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)OC3CCN(C)CC3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(=O)n3ccc(C)n3)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(C)=O)c(=O)oc12,0,0.0,
+COc1cccc2cc(C(C)N(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)oc12,0,0.0,
+COc1cccc2cc(C(C)N(CCCN3CCOCC3)C(=O)Nc3ccccc3)oc12,0,0.0,
+COc1cccc2cc3c(=O)n(-c4ccccc4)nc-3oc12,0,0.0,
+COc1cccc2sc(=NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n(C)c12,0,0.0,
+COc1cccc2sc(N(C)c3ccccc3)nc12,0,0.0,
+COc1cccc2sc(N3CCN(c4nc5ccccc5s4)CC3)nc12,0,0.0,
+COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12,0,0.0,
+COc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc12,0,0.0,
+COc1cccc2sc(Nc3nc(C)c(C(C)=O)s3)nc12,1,100.0,0.0
+COc1cccc2sc(Nc3nnc(-c4ccccc4Cl)o3)nc12,0,0.0,
+COc1cccc2sc(Nc3nnc(-c4cccs4)o3)nc12,0,0.0,
+COc1ccccc1-c1c(C#N)c(SCC(=O)N2CCCC2)nc(C)c1C(N)=O,0,0.0,
+COc1ccccc1-c1c(C)c(C)nc(N)c1C#N,0,0.0,
+COc1ccccc1-c1c(C)nn2c(C)c(C(C)=O)cnc12,0,0.0,
+COc1ccccc1-c1c(C)nn2c(C)cc(C)nc12,0,0.0,
+COc1ccccc1-c1c(C)nn2c(N3CCC4(CC3)OCCO4)cc(C)nc12,0,0.0,
+COc1ccccc1-c1c(C)nn2c(N3CCCCCC3)cc(C)nc12,1,100.0,0.0
+COc1ccccc1-c1c(C)nn2c(N3CCN(c4ccccc4OC)CC3)cc(C)nc12,0,0.0,
+COc1ccccc1-c1c(C)nn2c(NCCN3CCCC3)cc(C)nc12,1,100.0,0.0
+COc1ccccc1-c1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O,0,0.0,
+COc1ccccc1-c1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O,0,0.0,
+COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O,0,0.0,
+COc1ccccc1-c1c(NC(=O)c2ccco2)n(-c2ccccc2)nc(C)c1=O,0,0.0,
+COc1ccccc1-c1cc(-c2cc(Cl)ccc2O)n[nH]1,0,0.0,
+COc1ccccc1-c1cc(C(=O)N2CCCCC2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3OC)CC2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)NC(C)C)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)NC(C)c2ccccc2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)NCCCn2ccnc2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)NCCN2CCOCC2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)NCc2ccc(Cl)cc2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)NCc2ccc(F)cc2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)NCc2ccccc2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)NCc2ccco2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)NCc2cccs2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)Nc2cc(C)on2)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)Nc2ccc(F)cc2F)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)Nc2ccccc2SC)no1,0,0.0,
+COc1ccccc1-c1cc(C(=O)Nc2cccnc2)no1,0,0.0,
+COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCN(c3ccc(F)cc3)CC2)n1,0,0.0,
+COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCN(c3ccccc3)CC2)n1,0,0.0,
+COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCOCC2)n1,0,0.0,
+COc1ccccc1-c1cc(C(F)(F)F)nc(NCc2ccco2)n1,0,0.0,
+COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)N2CCCCC2C)n1,0,0.0,
+COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)N2CCOCC2)n1,0,0.0,
+COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)NC(C)C)n1,0,0.0,
+COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc2cc(C)on2)n1,0,0.0,
+COc1ccccc1-c1cc(C2CC2)nc(N)c1C#N,0,0.0,
+COc1ccccc1-c1cc(N)n(S(=O)(=O)c2ccc(F)c(C)c2)n1,0,0.0,
+COc1ccccc1-c1cc(N)n[nH]1,0,0.0,
+COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCc3ccco3)c(C)n2n1,0,0.0,
+COc1ccccc1-c1ccc(=O)n(CC(=O)NC(C)(C)C)n1,0,0.0,
+COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)n1,0,0.0,
+COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)n1,0,0.0,
+COc1ccccc1-c1ccc(C(=O)O)o1,0,0.0,
+COc1ccccc1-c1ccc(NC2CCCCC2)nn1,0,0.0,
+COc1ccccc1-c1ccc(Nc2cccc(C(C)=O)c2)nn1,0,0.0,
+COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)nc1N,0,0.0,
+COc1ccccc1-c1cn(S(=O)(=O)c2ccc(F)cc2)nc1N,0,0.0,
+COc1ccccc1-c1cn[nH]c(=S)n1,0,0.0,
+COc1ccccc1-c1coc2c(CN3CCN(C)CC3)c(O)ccc2c1=O,0,0.0,
+COc1ccccc1-c1coc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O,0,0.0,
+COc1ccccc1-c1coc2cc(O)cc(O)c2c1=O,0,0.0,
+COc1ccccc1-c1n[nH]c(=S)n1-c1ccccc1,0,0.0,
+COc1ccccc1-c1nc(-c2ccc(Br)cc2)no1,0,0.0,
+COc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1,0,0.0,
+COc1ccccc1-c1nc(-c2cccc(C)c2)no1,0,0.0,
+COc1ccccc1-c1nc(-c2ccccn2)no1,0,0.0,
+COc1ccccc1-c1nc(-c2ccncc2)no1,0,0.0,
+COc1ccccc1-c1nc(C#N)c(N2CCC(Cc3ccccc3)CC2)o1,0,0.0,
+COc1ccccc1-c1nc(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1,0,0.0,
+COc1ccccc1-c1nc(C#N)c(N2CCN(Cc3ccccc3)CC2)o1,0,0.0,
+COc1ccccc1-c1nc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)o1,0,0.0,
+COc1ccccc1-c1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1,0,0.0,
+COc1ccccc1-c1nc(C#N)c(N2CCc3ccccc3C2)o1,0,0.0,
+COc1ccccc1-c1nc(C#N)c(NCc2ccc(F)cc2)o1,0,0.0,
+COc1ccccc1-c1nc(C(F)(F)F)c(OC)o1,0,0.0,
+COc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1,0,0.0,
+COc1ccccc1-c1nc(NC(C)=O)n[nH]1,0,0.0,
+COc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N(C)C)o1,0,0.0,
+COc1ccccc1-c1nc(SCC(=O)O)n[nH]1,0,0.0,
+COc1ccccc1-c1nc(SCc2ccccn2)n[nH]1,0,0.0,
+COc1ccccc1-c1nc2n(n1)C(c1ccc(Cl)cc1)C(C(N)=O)=C(C)N2,0,0.0,
+COc1ccccc1-c1nc2n(n1)C(c1ccccc1Cl)C(C(N)=O)=C(C)N2,0,0.0,
+COc1ccccc1-c1nc2n(n1)C(c1cccs1)C(C(=O)Nc1cccnc1)=C(C)N2,0,0.0,
+COc1ccccc1-c1nc2s/c(=C\c3cccs3)c(=O)n2n1,0,0.0,
+COc1ccccc1-c1nn2c(-c3ccc(C(C)(C)C)cc3)nnc2s1,0,0.0,
+COc1ccccc1-c1nn2c(-c3ccccc3Cl)nnc2s1,0,0.0,
+COc1ccccc1-c1nn2c(-c3ccco3)nnc2s1,0,0.0,
+COc1ccccc1-c1nn2c(C(F)(F)F)nnc2s1,0,0.0,
+COc1ccccc1-c1nn2c(C3COc4ccccc4O3)nnc2s1,0,0.0,
+COc1ccccc1-c1nnc(N(C)C(=O)C2CCCO2)s1,0,0.0,
+COc1ccccc1-c1nnc(NC(=O)C(C)C)s1,0,0.0,
+COc1ccccc1-c1nnc(NC(=O)C(C)SC2=NCCS2)s1,0,0.0,
+COc1ccccc1-c1nnc(NC(=O)OCC(C)C)s1,0,0.0,
+COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1,0,0.0,
+COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1,0,0.0,
+COc1ccccc1-c1nnc(NC(=O)c2ccccc2F)o1,0,0.0,
+COc1ccccc1-c1nnc(NC(C)=O)s1,0,0.0,
+COc1ccccc1-c1nnc(Nc2nc3c(OC)cccc3s2)o1,0,0.0,
+COc1ccccc1-c1nnc(SC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)n1C1CCCCC1,0,0.0,
+COc1ccccc1-c1nnc(SCC(=O)N2CC(C)CC(C)C2)o1,0,0.0,
+COc1ccccc1-c1nnc(SCC(=O)N2CCOCC2)o1,0,0.0,
+COc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)o1,0,0.0,
+COc1ccccc1-c1nnc(SCC(=O)NCc2c(C)c(Cl)cc(C(C)C)c2O)o1,0,0.0,
+COc1ccccc1-c1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)o1,0,0.0,
+COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)on2)o1,0,0.0,
+COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1,0,0.0,
+COc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N,0,0.0,
+COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1,0,0.0,
+COc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C,0,0.0,
+COc1ccccc1-c1nnc(SCC(=O)O)n1C,0,0.0,
+COc1ccccc1-c1nnc(SCC(=O)OC(C)C)o1,0,0.0,
+COc1ccccc1-c1nnc(SCCN2CCOCC2)n1-c1ccc(C)cc1,0,0.0,
+COc1ccccc1-c1nnc(SCc2ccccn2)n1C,0,0.0,
+COc1ccccc1-c1nnc(SCc2nc3ccccc3[nH]2)n1C,0,0.0,
+COc1ccccc1-c1nnc2n1N=C(C(C)(C)C)CS2,0,0.0,
+COc1ccccc1-c1nnc2n1N=C(C)CS2,0,0.0,
+COc1ccccc1-c1nnc2n1N=C(c1ccc(O)c(O)c1)CS2,0,0.0,
+COc1ccccc1-c1nnc2sc(-c3cc4ccccc4o3)nn12,0,0.0,
+COc1ccccc1-c1nnc2sc(-c3ccc(N(C)C)cc3)nn12,0,0.0,
+COc1ccccc1-c1nnc2sc(-c3cnccn3)nn12,0,0.0,
+COc1ccccc1-c1nnc2sc(C3CCCCC3)nn12,0,0.0,
+COc1ccccc1-c1nnc2sc(COc3ccc(Cl)cc3)nn12,0,0.0,
+COc1ccccc1-c1nnc2sc(COc3ccc(Cl)cc3Cl)nn12,0,0.0,
+COc1ccccc1-c1nnc2sc(COc3ccc(F)cc3)nn12,0,0.0,
+COc1ccccc1-c1nnc2sc(COc3ccccc3)nn12,0,0.0,
+COc1ccccc1-c1nnn(CC#N)n1,0,0.0,
+COc1ccccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1,0,0.0,
+COc1ccccc1-c1noc(-c2ccccc2)n1,1,100.0,1.0
+COc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2ccccc2)n1,0,0.0,
+COc1ccccc1-c1noc(-c2cccnc2)n1,0,0.0,
+COc1ccccc1-c1noc(-c2ccco2)n1,0,0.0,
+COc1ccccc1-c1noc(-c2ccncc2)n1,0,0.0,
+COc1ccccc1-c1noc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1,0,0.0,
+COc1ccccc1-c1noc(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1,0,0.0,
+COc1ccccc1-c1noc(CCC(=O)Nc2cccc(C)c2)n1,0,0.0,
+COc1ccccc1-c1noc(CCC(=O)Nc2ccccc2Cl)n1,0,0.0,
+COc1ccccc1-n1c(-c2cccnc2)n[nH]c1=S,0,0.0,
+COc1ccccc1-n1c(-c2ccoc2)nc2ccccc2c1=O,0,0.0,
+COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccnc3)nc21,0,0.0,
+COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(C3CCCCC3)nc21,0,0.0,
+COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(CC(C)C)nc21,0,0.0,
+COc1ccccc1-n1c(=O)c2c3c(sc2n2c(SC(C)C)nnc12)CCC3,0,0.0,
+COc1ccccc1-n1c(=O)c2c3c(sc2n2c(SC)nnc12)CCC3,0,0.0,
+COc1ccccc1-n1c(=O)oc2ccc(Cl)cc2c1=O,0,0.0,
+COc1ccccc1-n1c(=S)sc2c(=O)n(Cc3ccco3)c(SC)nc21,0,0.0,
+COc1ccccc1-n1c(C)nc(=O)c(-c2ccccc2)c1C,0,0.0,
+COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cccc(C(C)=O)c1,1,100.0,0.0
+COc1ccccc1-n1c(C)nnc1SCC(N)=O,1,100.0,0.0
+COc1ccccc1-n1c(CNC(=O)COc2ccccc2)n[nH]c1=S,0,0.0,
+COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]c1=S,0,0.0,
+COc1ccccc1-n1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1nnc(C)s1,0,0.0,
+COc1ccccc1-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(C)ccc1C,0,0.0,
+COc1ccccc1-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(F)cc1,0,0.0,
+COc1ccccc1-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1nccs1,0,0.0,
+COc1ccccc1-n1c(CNc2c(C)cccc2C)nnc1SCC(=O)N1CCOCC1,0,0.0,
+COc1ccccc1-n1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21,0,0.0,
+COc1ccccc1-n1c(N)c(C(N)=O)sc1=S,0,0.0,
+COc1ccccc1-n1c(O)c(C=NCCCn2ccnc2)c(=O)[nH]c1=O,0,0.0,
+COc1ccccc1-n1c(O)c(C=NCc2ccc3c(c2)OCO3)c(=O)[nH]c1=O,0,0.0,
+COc1ccccc1-n1c(O)c(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)[nH]c1=O,0,0.0,
+COc1ccccc1-n1c(SC)nc(O)cc1=O,0,0.0,
+COc1ccccc1-n1c(SCC(=O)N(C)C2CCS(=O)(=O)C2)nc2ccccc2c1=O,0,0.0,
+COc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2cccnc21,0,0.0,
+COc1ccccc1-n1c(SCC(=O)N2CCCCC2)nc2cccnc21,0,0.0,
+COc1ccccc1-n1c(SCC(=O)N2CCCCC2)nnc1-c1ccccc1O,0,0.0,
+COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(O)c(Cc2ccccc2)c1=O,0,0.0,
+COc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O,0,0.0,
+COc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1ccco1,0,0.0,
+COc1ccccc1-n1c(SCC(=O)NC2CCCC2)nc2cccnc21,0,0.0,
+COc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc2c(c1=O)SCC2,0,0.0,
+COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nc2c(c1=O)SCC2,0,0.0,
+COc1ccccc1-n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)SCC2,0,0.0,
+COc1ccccc1-n1c(SCC(=O)Nc2cccc(C)c2)nc2c(c1=O)SCC2,0,0.0,
+COc1ccccc1-n1c(SCC(=O)Nc2ccccc2C)nc(O)cc1=O,0,0.0,
+COc1ccccc1-n1c(SCC(=O)Nc2ccccc2F)nc2[nH]ncc2c1=O,0,0.0,
+COc1ccccc1-n1c(SCC(=O)Nc2nnc(C)s2)nc2c(c1=O)SCC2,0,0.0,
+COc1ccccc1-n1c(SCC(=O)O)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+COc1ccccc1-n1c(SCC(N)=O)nc2c(c1=O)SCC2,0,0.0,
+COc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+COc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccc1,0,0.0,
+COc1ccccc1-n1c2c(cc(C(=O)N3CCC(C)CC3)c1=O)C(=O)CC(C)(C)C2,0,0.0,
+COc1ccccc1-n1cc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O,0,0.0,
+COc1ccccc1-n1cc(C(=O)NCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O,0,0.0,
+COc1ccccc1-n1cnc(N)c1C(=O)c1ccccc1,0,0.0,
+COc1ccccc1-n1cnc(N)c1C(C)=O,0,0.0,
+COc1ccccc1-n1cnc2cc(C(=O)NCC3CCCO3)ccc21,0,0.0,
+COc1ccccc1-n1cnc2cc(C(=O)NCCCN3CCOCC3)ccc21,0,0.0,
+COc1ccccc1-n1cnc2cc(C(=O)NCc3ccco3)ccc21,0,0.0,
+COc1ccccc1-n1cnc2cc(NC(C)=O)ccc21,0,0.0,
+COc1ccccc1-n1cnc2cc(NCc3ccco3)ccc21,0,0.0,
+COc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21,0,0.0,
+COc1ccccc1-n1cnnc1SC1CCOC1=O,1,100.0,
+COc1ccccc1-n1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+COc1ccccc1-n1cnnc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,0,0.0,
+COc1ccccc1-n1cnnc1SCC(=O)Nc1ncc(Cl)cc1Cl,0,0.0,
+COc1ccccc1-n1cnnc1SCC(=O)c1cc(C)n(Cc2cccs2)c1C,0,0.0,
+COc1ccccc1-n1cnnc1SCC(=O)c1ccc[nH]1,0,0.0,
+COc1ccccc1-n1nc(C(=O)NCc2ccco2)c2ccccc2c1=O,0,0.0,
+COc1ccccc1-n1nc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2c1=O,0,0.0,
+COc1ccccc1-n1nc(C(=O)O)c2ccccc2c1=O,0,0.0,
+COc1ccccc1-n1nnnc1S(=O)(=O)Cc1ccc(Cl)cc1,0,0.0,
+COc1ccccc1-n1nnnc1SCC(=O)NC1CCCC1,0,0.0,
+COc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)on1,0,0.0,
+COc1ccccc1-n1nnnc1SCc1cc2c(cc1Br)OCO2,0,0.0,
+COc1ccccc1-n1nnnc1SCc1ccccc1,0,0.0,
+COc1ccccc1/C=C/CN1CC(C)OC(C)C1,0,0.0,
+COc1ccccc1/C=C/CN1CCOCC1,0,0.0,
+COc1ccccc1/C=C1C(=N/O)/C2CCN/1CC2,0,0.0,
+COc1ccccc1/C=N/n1cnnc1,0,0.0,
+COc1ccccc1/C=c1\sc2nc(-c3ccco3)nn2c1=O,0,0.0,
+COc1ccccc1/C=c1\sc2nc(-c3cccs3)nn2c1=O,0,0.0,
+COc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O,0,0.0,
+COc1ccccc1C(=O)C(O)c1ccccc1OC,0,0.0,
+COc1ccccc1C(=O)C1Nc2ccccc2-c2nnc(SC)nc2O1,0,0.0,
+COc1ccccc1C(=O)N(CN1CCCC1=O)c1cccc(Cl)c1,0,0.0,
+COc1ccccc1C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,0.0,
+COc1ccccc1C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1,0,0.0,
+COc1ccccc1C(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C,0,0.0,
+COc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCCC(c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C1,0,0.0,
+COc1ccccc1C(=O)N1CCCC1(C#N)c1ccccc1,0,0.0,
+COc1ccccc1C(=O)N1CCCN(C(=O)c2ccccc2OC)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCN(C(=O)COc2cccc(C)c2)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCN(C(=O)c2ccncc2)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCN(c2nc3cc(C)c(C)cc3cc2C#N)CC1,0,0.0,
+COc1ccccc1C(=O)N1CCN=C1SC,0,0.0,
+COc1ccccc1C(=O)N1CCN=C1SCc1cccnc1,0,0.0,
+COc1ccccc1C(=O)N1CCN=C1c1ccccc1,0,0.0,
+COc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)Nc1ccc(Cl)cc1,0,0.0,
+COc1ccccc1C(=O)N1CCc2ccccc21,0,0.0,
+COc1ccccc1C(=O)NC(=Nc1nc2ccccc2o1)NC(=O)c1ccccc1OC,0,0.0,
+COc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+COc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1,1,100.0,0.0
+COc1ccccc1C(=O)NC(C)c1nc2ccccc2[nH]1,0,0.0,
+COc1ccccc1C(=O)NC(CCSC)C(=O)NCC(c1ccco1)N(C)C,0,0.0,
+COc1ccccc1C(=O)NC(CCSC)C(=O)OCC(=O)NC(=O)NCc1ccco1,0,0.0,
+COc1ccccc1C(=O)NCC(=O)Nc1ccccc1,0,0.0,
+COc1ccccc1C(=O)NCC(=O)n1nc(C)cc1C,0,0.0,
+COc1ccccc1C(=O)NCC(c1cccnc1)N(C)C,0,0.0,
+COc1ccccc1C(=O)NCCC(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+COc1ccccc1C(=O)NCCCN1CCCC1=O,0,0.0,
+COc1ccccc1C(=O)NCCCn1cc(Br)c(C)n1,0,0.0,
+COc1ccccc1C(=O)NCCN1CCN(C(=O)c2ccccc2OC)CC1,0,0.0,
+COc1ccccc1C(=O)NCCNC(=O)c1ccco1,0,0.0,
+COc1ccccc1C(=O)NCCc1nc2ccccc2[nH]1,0,0.0,
+COc1ccccc1C(=O)NCCc1nc2ccccc2n1C,0,0.0,
+COc1ccccc1C(=O)NCCn1cc(SCC(=O)NCc2ccco2)c2ccccc21,0,0.0,
+COc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21,0,0.0,
+COc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2nnc(C)s2)c2ccccc21,0,0.0,
+COc1ccccc1C(=O)NCCn1ccc2ccccc21,0,0.0,
+COc1ccccc1C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+COc1ccccc1C(=O)NCc1ccncc1,0,0.0,
+COc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+COc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)CS(=O)(=O)C2,0,0.0,
+COc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)C[S+]([O-])C2,0,0.0,
+COc1ccccc1C(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C,0,0.0,
+COc1ccccc1C(=O)Nc1cc(Cl)ccc1O,0,0.0,
+COc1ccccc1C(=O)Nc1ccc(-c2nnc(SCC(=O)O)n2C)cc1,0,0.0,
+COc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1,0,0.0,
+COc1ccccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+COc1ccccc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1,0,0.0,
+COc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+COc1ccccc1C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CCNC(C)=O)n2C,0,0.0,
+COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCN(C(C)=O)CC1)n2C,0,0.0,
+COc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCSC1,0,0.0,
+COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1,0,0.0,
+COc1ccccc1C(=O)Nc1cccc(-c2cn3ccsc3n2)c1,0,0.0,
+COc1ccccc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1,0,0.0,
+COc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1,0,0.0,
+COc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1,0,0.0,
+COc1ccccc1C(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1,0,0.0,
+COc1ccccc1C(=O)Nc1ccccc1SC,0,0.0,
+COc1ccccc1C(=O)Nc1ccccn1,0,0.0,
+COc1ccccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,0,0.0,
+COc1ccccc1C(=O)Nc1ncc2c(n1)CC(c1ccco1)CC2=O,0,0.0,
+COc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1,0,0.0,
+COc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)o1,0,0.0,
+COc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1,0,0.0,
+COc1ccccc1C(=O)Nc1nnn(C)n1,0,0.0,
+COc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O,1,100.0,0.0
+COc1ccccc1C(=O)Nn1cnc2ccccc2c1=O,0,0.0,
+COc1ccccc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1,0,0.0,
+COc1ccccc1C(=O)OCn1nnc2ccccc2c1=O,0,0.0,
+COc1ccccc1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(C)cc2)n1,0,0.0,
+COc1ccccc1C(=O)Oc1ccc(N2C(=O)CCC2=O)cc1,0,0.0,
+COc1ccccc1C(=O)n1nc(-c2ccc(Cl)cc2)nc1N,0,0.0,
+COc1ccccc1C(=O)n1nc(-c2ccccc2)nc1N,0,0.0,
+COc1ccccc1C(=O)n1nc(-c2ccccc2)nc1NCc1ccco1,0,0.0,
+COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N,0,0.0,
+COc1ccccc1C(=O)n1nc(-c2ccco2)nc1N,0,0.0,
+COc1ccccc1C(=O)n1nc(C)cc1C,0,0.0,
+COc1ccccc1C(CC(=O)Nc1nccs1)c1ccco1,0,0.0,
+COc1ccccc1C(CCN(Cc1cccs1)C(C)=O)c1ccco1,0,0.0,
+COc1ccccc1C(O)P(=O)(OC(C)C)c1ccc(N(C)C)cc1,0,0.0,
+COc1ccccc1C(OC(=O)c1ccco1)C(=O)NC(C)(C)C,0,0.0,
+COc1ccccc1C(OC(=O)c1cccs1)C(=O)NCc1ccco1,0,0.0,
+COc1ccccc1C(c1nnnn1C(C)(C)C)N1CCCCCC1,0,0.0,
+COc1ccccc1C(c1nnnn1C(C)(C)C)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+COc1ccccc1C(c1nnnn1C(C)(C)C)N1CCN(Cc2ccncc2)CC1,0,0.0,
+COc1ccccc1C(c1nnnn1C1CCCC1)N1CCN2CCCC2C1,1,100.0,1.0
+COc1ccccc1C(c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2)CC1,0,0.0,
+COc1ccccc1C(c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCSCC1,0,0.0,
+COc1ccccc1C(c1nnnn1Cc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+COc1ccccc1C1(CC(=O)N2CCOCC2)CCOC(C(C)C)C1,0,0.0,
+COc1ccccc1C1(CC(=O)O)CCOC(C(C)C)C1,0,0.0,
+COc1ccccc1C1(CC(=O)O)CCOC(C)(C)C1,0,0.0,
+COc1ccccc1C1(O)CC2CCC(C1)N2S(=O)(=O)c1ccc(C(C)=O)cc1,0,0.0,
+COc1ccccc1C1(O)CCN(CC(=O)Nc2c(C)nn(C)c2C)CC1,0,0.0,
+COc1ccccc1C1/C(=C(/O)c2ccc(C)cc2)C(=O)C(=O)N1CCN1CCOCC1,0,0.0,
+COc1ccccc1C1/C(=C(/O)c2ccc(C)cc2)C(=O)C(=O)N1Cc1ccco1,0,0.0,
+COc1ccccc1C1/C(=C(/O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCN1CCOCC1,0,0.0,
+COc1ccccc1C1/C(=C(/O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1c1cc(C)on1,0,0.0,
+COc1ccccc1C1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CC(C)C,0,0.0,
+COc1ccccc1C1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CC(C)O,0,0.0,
+COc1ccccc1C1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCO,0,0.0,
+COc1ccccc1C1/C(=C(/O)c2cnn(-c3ccccc3)c2C)C(=O)C(=O)N1CCN(C)C,0,0.0,
+COc1ccccc1C1/C(=C(\O)c2c(C)nc3c(C)cccn23)C(=O)C(=O)N1CCCN(C)C,0,0.0,
+COc1ccccc1C1/C(=C(\O)c2ccc3c(c2)OCCO3)C(=O)C(=O)N1CCCN(C)C,0,0.0,
+COc1ccccc1C1=NOC(Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1,0,0.0,
+COc1ccccc1C1=Nn2c(nnc2C2CCCCC2)SC1,0,0.0,
+COc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c21,1,100.0,1.0
+COc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c21,0,0.0,
+COc1ccccc1C1C(C(=O)NCc2ccccc2)=C(C)Nc2ncnn21,0,0.0,
+COc1ccccc1C1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCN(C)C,0,0.0,
+COc1ccccc1C1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCN1CCOCC1,0,0.0,
+COc1ccccc1C1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCN1CCOCC1,0,0.0,
+COc1ccccc1C1C(C(C)=O)=C(O)C(=O)N1CCc1ccccc1,0,0.0,
+COc1ccccc1C1C(C(N)=O)=C(C)Nc2nc(-c3ccc(Cl)cc3)nn21,0,0.0,
+COc1ccccc1C1C(C(N)=O)=C(C)Nc2nc(-c3ccccc3Cl)nn21,0,0.0,
+COc1ccccc1C1C(C(N)=O)=C(C)Nc2ncnn21,0,0.0,
+COc1ccccc1C1C2=C(N=C3SCC(=O)N31)c1ccccc1CC2,0,0.0,
+COc1ccccc1C1C2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1,0,0.0,
+COc1ccccc1C1C2CCCCC2(O)CCN1CC(=O)Nc1ccccc1,0,0.0,
+COc1ccccc1C1C=C(c2ccc(Br)cc2)Nc2nc(NS(C)(=O)=O)nn21,0,0.0,
+COc1ccccc1C1C=C(c2ccc(C)cc2)Nc2nnnn21,0,0.0,
+COc1ccccc1C1C=C(c2ccc(Cl)cc2)Nc2nc(N3C(=O)CCC3=O)nn21,0,0.0,
+COc1ccccc1C1C=C(c2ccc(Cl)cc2)Nc2nc(NS(C)(=O)=O)nn21,0,0.0,
+COc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C,0,0.0,
+COc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC1CCCO1,0,0.0,
+COc1ccccc1C1CC(=O)NC(SCC(=O)Nc2ccccc2)=C1C#N,0,0.0,
+COc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,0,0.0,
+COc1ccccc1C1CC(c2ccc(C)cc2)Nc2ncnn21,0,0.0,
+COc1ccccc1C1CC(c2ccc(Cl)cc2)Nc2nc(N)nn21,0,0.0,
+COc1ccccc1C1CC(c2ccc(Cl)cc2)Nc2ncnn21,0,0.0,
+COc1ccccc1C1CC(c2ccc(Cl)cc2Cl)Nc2nc(N)nn21,0,0.0,
+COc1ccccc1C1CC(c2ccc(F)cc2)Nc2ncnn21,0,0.0,
+COc1ccccc1C1CC(c2ccccc2)Nc2ncnn21,0,0.0,
+COc1ccccc1C1N(c2cc(Cl)ccc2OC)C(=O)C2CCCN21,0,0.0,
+COc1ccccc1C1N(c2ccc(Cl)cc2)C(=O)C2CCCN21,0,0.0,
+COc1ccccc1C1N(c2ccc(F)cc2)C(=O)C2CCCN21,0,0.0,
+COc1ccccc1C1NC(=O)CS1,0,0.0,
+COc1ccccc1C1NC(=O)NC(C)=C1C(=O)Nc1cccc(C)c1C,0,0.0,
+COc1ccccc1C1NC(=O)NC(C)=C1C(=O)OC1CCCCC1,0,0.0,
+COc1ccccc1C1NC(=O)NC(C)=C1C(C)=O,0,0.0,
+COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1,0,0.0,
+COc1ccccc1C1SCCN1S(C)(=O)=O,0,0.0,
+COc1ccccc1C1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1cc(C)on1,0,0.0,
+COc1ccccc1CC(=O)N(CCC#N)CCC#N,0,0.0,
+COc1ccccc1CC(=O)N1CCCC1,0,0.0,
+COc1ccccc1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+COc1ccccc1CC(=O)NC1CC(C)(C)NC(C)(C)C1,0,0.0,
+COc1ccccc1CC(=O)NCC1CCCO1,0,0.0,
+COc1ccccc1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+COc1ccccc1CC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+COc1ccccc1CC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+COc1ccccc1CC(=O)Nc1ccc(O)cc1C(=O)O,0,0.0,
+COc1ccccc1CC(=O)Nc1ccc(OC)c(OC)c1,0,0.0,
+COc1ccccc1CC(NC(C)=O)C(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1,0,0.0,
+COc1ccccc1CC(NC(C)=O)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1,0,0.0,
+COc1ccccc1CC1(C)NC(=O)N(CC(=O)N2CC(C)OC(C)C2)C1=O,0,0.0,
+COc1ccccc1CC1(C)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O,0,0.0,
+COc1ccccc1CC1(C)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O,0,0.0,
+COc1ccccc1CC1/C(=N/O)C2CCN1CC2,1,100.0,0.0
+COc1ccccc1CCC(=O)Nc1nc2ccccc2[nH]1,0,0.0,
+COc1ccccc1CCNC(=O)C1CCCO1,0,0.0,
+COc1ccccc1CCNC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1,0,0.0,
+COc1ccccc1CCNC(=O)c1ccc(C)o1,0,0.0,
+COc1ccccc1CCNC(=O)c1ccoc1C,0,0.0,
+COc1ccccc1CCNC(=O)c1cnn2c(C(F)F)cc(C)nc12,0,0.0,
+COc1ccccc1CCNS(=O)(=O)c1c(C)n(C)c(=O)n(C)c1=O,0,0.0,
+COc1ccccc1CCn1cnc2c3cc(C)ccc3n(C)c2c1=O,0,0.0,
+COc1ccccc1CN(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccncc1,0,0.0,
+COc1ccccc1CN(C)C(=O)C1COc2ccccc2O1,0,0.0,
+COc1ccccc1CN(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1,0,0.0,
+COc1ccccc1CN(CC(=O)NCc1ccco1)C(=O)CNS(=O)(=O)c1ccc(C)cc1,0,0.0,
+COc1ccccc1CN(CC(=O)NCc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1,0,0.0,
+COc1ccccc1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)Cc1nnnn1CC1CCCO1,0,0.0,
+COc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)Cc1nnnn1CC1CCCO1,0,0.0,
+COc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)Cc1nnnn1Cc1ccco1,0,0.0,
+COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1,0,0.0,
+COc1ccccc1CN1C(=O)C2CC=CCC2C1=O,0,0.0,
+COc1ccccc1CN1C(=O)CCC1(C)C(=O)NC1CCCCCC1,0,0.0,
+COc1ccccc1CN1C(=O)CCC1(C)C(=O)NCc1cccnc1,0,0.0,
+COc1ccccc1CN1C(=O)CN(C2CCCC2)C(=O)C1c1ccc(F)cc1,0,0.0,
+COc1ccccc1CN1C(=O)[C@@H]2C(CC(N)=O)NC3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O,0,0.0,
+COc1ccccc1CN1C(=O)[C@@H]2C(CCC(N)=O)NC3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O,0,0.0,
+COc1ccccc1CN1C(=O)c2ccncc2C1=O,0,0.0,
+COc1ccccc1CN1C(=S)SC(C)(C)C1NO,0,0.0,
+COc1ccccc1CN1CC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O,0,0.0,
+COc1ccccc1CN1CC(C(=O)NC2CCCCC2)CC1=O,0,0.0,
+COc1ccccc1CN1CC(C(=O)NCC2CCCO2)CC1=O,0,0.0,
+COc1ccccc1CN1CC(C(=O)NCc2cccnc2)CC1=O,0,0.0,
+COc1ccccc1CN1CCCC(C(=O)N(C)Cc2ccccc2)C1,1,100.0,1.0
+COc1ccccc1CN1CCCCC1c1cccnc1,0,0.0,
+COc1ccccc1CN1CCN(C(=O)COc2cccc(C)c2)CC1,0,0.0,
+COc1ccccc1CN1CCN(C(=O)COc2ccccc2)CC1,0,0.0,
+COc1ccccc1CN1CCN(C(=O)Cc2ccccc2)CC1,0,0.0,
+COc1ccccc1CN1CCN(C(CC(C)C)c2nnnn2Cc2cccs2)CC1,1,100.0,1.0
+COc1ccccc1CNC(=O)C(C)NS(=O)(=O)c1ccccc1,0,0.0,
+COc1ccccc1CNC(=O)C(CCSC)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+COc1ccccc1CNC(=O)C(NC(=O)C1CCCCC1)C(C)C,0,0.0,
+COc1ccccc1CNC(=O)C1CC(=O)N(C2CCCC2)C1,0,0.0,
+COc1ccccc1CNC(=O)C1CC(=O)N(c2ccc(C)c(C)c2)C1,0,0.0,
+COc1ccccc1CNC(=O)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1,0,0.0,
+COc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1,0,0.0,
+COc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+COc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+COc1ccccc1CNC(=O)C1CCCN(S(C)(=O)=O)C1,0,0.0,
+COc1ccccc1CNC(=O)C1CCCN1S(=O)(=O)c1cccc2cccnc12,0,0.0,
+COc1ccccc1CNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1,0,0.0,
+COc1ccccc1CNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1,0,0.0,
+COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)N2CC(C)CC(C)C2)CC1,0,0.0,
+COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1,0,0.0,
+COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+COc1ccccc1CNC(=O)C1CCN(S(C)(=O)=O)CC1,0,0.0,
+COc1ccccc1CNC(=O)C1CCN(c2nc3ccccc3o2)CC1,0,0.0,
+COc1ccccc1CNC(=O)C1COc2ccccc2O1,0,0.0,
+COc1ccccc1CNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1,0,0.0,
+COc1ccccc1CNC(=O)CCC(=O)Nc1nnc(C)s1,0,0.0,
+COc1ccccc1CNC(=O)CCCN1C(=O)COc2ccc(C)cc21,0,0.0,
+COc1ccccc1CNC(=O)CCCNS(=O)(=O)c1cccc2nsnc12,0,0.0,
+COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O,0,0.0,
+COc1ccccc1CNC(=O)CCN1C(=O)COc2ccc(C)cc21,0,0.0,
+COc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc21,0,0.0,
+COc1ccccc1CNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O,0,0.0,
+COc1ccccc1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O,0,0.0,
+COc1ccccc1CNC(=O)CCS(=O)(=O)c1cccs1,0,0.0,
+COc1ccccc1CNC(=O)CCn1c(=O)[nH]c2ccsc2c1=O,0,0.0,
+COc1ccccc1CNC(=O)CCn1c(=O)oc2ccccc21,0,0.0,
+COc1ccccc1CNC(=O)CCn1c(=O)sc2ccccc21,0,0.0,
+COc1ccccc1CNC(=O)CN(C)CC(=O)Nc1cccc(F)c1,0,0.0,
+COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)n[nH]c1C,0,0.0,
+COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)nn(C)c1C,0,0.0,
+COc1ccccc1CNC(=O)CN1C(=O)C(C)N(c2ccc(C)cc2)C1=O,0,0.0,
+COc1ccccc1CNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O,0,0.0,
+COc1ccccc1CNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+COc1ccccc1CNC(=O)CNCC1CCCO1,0,0.0,
+COc1ccccc1CNC(=O)COC(=O)C1=COCCO1,0,0.0,
+COc1ccccc1CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+COc1ccccc1CNC(=O)COC(=O)c1cnccn1,0,0.0,
+COc1ccccc1CNC(=O)COc1ccccc1OC,0,0.0,
+COc1ccccc1CNC(=O)C[S+]([O-])Cc1nc(-c2ccccc2C)oc1C,1,100.0,0.0
+COc1ccccc1CNC(=O)CSc1nc(-c2ccccc2)cn1N,0,0.0,
+COc1ccccc1CNC(=O)CSc1nc2nc(C)cc(C)n2n1,0,0.0,
+COc1ccccc1CNC(=O)Cn1cc2c(n1)CCCC2,0,0.0,
+COc1ccccc1CNC(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+COc1ccccc1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)O,0,0.0,
+COc1ccccc1CNC(=O)Nc1cccs1,0,0.0,
+COc1ccccc1CNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O,0,0.0,
+COc1ccccc1CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,0,0.0,
+COc1ccccc1CNC(=O)c1cc2c(s1)CS(=O)(=O)C2,0,0.0,
+COc1ccccc1CNC(=O)c1cc2sccc2n1C,0,0.0,
+COc1ccccc1CNC(=O)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1,0,0.0,
+COc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2OC)o1,0,0.0,
+COc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+COc1ccccc1CNC(=O)c1cnc2ccccn2c1=O,0,0.0,
+COc1ccccc1CNC(=O)c1cnc2sccn2c1=O,0,0.0,
+COc1ccccc1CNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1,0,0.0,
+COc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3CCCC3)cc2c1C,0,0.0,
+COc1ccccc1CNCc1cc(OC)c(OC)cc1OC,0,0.0,
+COc1ccccc1CNCc1cccs1,0,0.0,
+COc1ccccc1CNS(=O)(=O)c1c(C)noc1C,0,0.0,
+COc1ccccc1CNS(=O)(=O)c1cc(C)ccc1OC,0,0.0,
+COc1ccccc1CNS(=O)(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+COc1ccccc1CNS(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1,0,0.0,
+COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0.0,
+COc1ccccc1CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1,1,100.0,0.0
+COc1ccccc1CNc1ccc(N2CCCCC2)cc1,1,100.0,1.0
+COc1ccccc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1,0,0.0,
+COc1ccccc1CNc1n[nH]c(NCc2ccccc2OC)n1,0,0.0,
+COc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1,0,0.0,
+COc1ccccc1CNc1nc2nc(C)c(Cl)c(=O)n2[nH]1,0,0.0,
+COc1ccccc1CNc1nc2nc3c(c(=O)n2[nH]1)CCC3,0,0.0,
+COc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+COc1ccccc1CNc1ncnc2c1nnn2Cc1ccccc1,0,0.0,
+COc1ccccc1CNc1ncnc2nc[nH]c12,0,0.0,
+COc1ccccc1COCC(O)CNCC1(N2CCCCC2)CCCCC1,0,0.0,
+COc1ccccc1Cc1nc(-c2ccc(Br)o2)no1,0,0.0,
+COc1ccccc1Cc1nc(-c2ccc(C)cc2)no1,0,0.0,
+COc1ccccc1Cc1noc(-c2cc(Cl)ccc2OC)n1,0,0.0,
+COc1ccccc1Cc1noc(C(C)(C)NC(=O)c2ccccc2)n1,0,0.0,
+COc1ccccc1Cc1noc(COc2cccc(C)c2C)n1,1,100.0,0.0
+COc1ccccc1Cn1c(-c2ccco2)nc2nc3ccccc3nc21,0,0.0,
+COc1ccccc1Cn1c(=O)[nH]c2cccnc21,0,0.0,
+COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCCC3)nnc12,0,0.0,
+COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCc3csc(C)n3)nnc12,0,0.0,
+COc1ccccc1Cn1c(=O)c2ccccc2n2c(Sc3ncnc4sccc34)nnc12,0,0.0,
+COc1ccccc1Cn1c(=S)[nH]c2cc(C(=O)N3CCN(C)CC3)ccc2c1=O,0,0.0,
+COc1ccccc1Cn1c(=S)[nH]c2cc(C(=O)NCCN3CCOCC3)ccc2c1=O,0,0.0,
+COc1ccccc1Cn1c(CCCO)nc2ccccc21,0,0.0,
+COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21,0,0.0,
+COc1ccccc1Cn1cnc2cccnc21,0,0.0,
+COc1ccccc1Cn1nnc2c(=O)[nH]c(C3CCN(C(=O)c4ccc(C)cc4)CC3)nc21,0,0.0,
+COc1ccccc1Cn1nnc2c(=O)[nH]c(C3CCN(C(=O)c4ccc(F)cc4)CC3)nc21,0,0.0,
+COc1ccccc1Cn1nnc2c(=O)[nH]c(C3CCN(C(=O)c4ccccc4Cl)CC3)nc21,0,0.0,
+COc1ccccc1N(C(=O)CNS(=O)(=O)c1ccccc1)C(C(=O)NCc1ccco1)C(C)C,0,0.0,
+COc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccc(C)o1,0,0.0,
+COc1ccccc1N(C(=O)NCc1ccccc1)C1=NCC(C)S1,0,0.0,
+COc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1,0,0.0,
+COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NC1CCCC1)c1ccco1,0,0.0,
+COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NCCC(C)C)c1ccco1,0,0.0,
+COc1ccccc1N(C(C)=O)C1SC(=O)N(c2ccccc2)C1=O,0,0.0,
+COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC2=NCCS2)cc1,0,0.0,
+COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1,0,0.0,
+COc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1,0,0.0,
+COc1ccccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(C)o2)n1,0,0.0,
+COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1,0,0.0,
+COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1csnn1,0,0.0,
+COc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCC(=O)Nc1ccccn1,0,0.0,
+COc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1cnn(C(C)C)c1,0,0.0,
+COc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(=O)NCCc1ccccc1)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(=O)NCc1ccccn1)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(=O)NCc1cccnc1)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(=O)Nc1c(C)cccc1C)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1cccs1,0,0.0,
+COc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1,0,0.0,
+COc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O,0,0.0,
+COc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+COc1ccccc1N(CC(O)CN(c1ccccc1)S(C)(=O)=O)S(=O)(=O)c1ccccc1,0,0.0,
+COc1ccccc1N(CC(O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccc(C)cc1,0,0.0,
+COc1ccccc1N(CCC#N)C(=O)CSc1ccc2c(c1)OCCO2,0,0.0,
+COc1ccccc1N(CCC#N)C(=O)CSc1nc(-c2ccccc2)cn1N,0,0.0,
+COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1cccnc1,0,0.0,
+COc1ccccc1N(CN1CCCC1=O)C(=O)COc1ccccc1,0,0.0,
+COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1Cl,0,0.0,
+COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1F,0,0.0,
+COc1ccccc1N(CN1CCCC1=O)C(=O)c1ccccc1F,0,0.0,
+COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)C,0,0.0,
+COc1ccccc1N(O)C1CC(=O)N(c2ccc(Br)cc2)C1=O,0,0.0,
+COc1ccccc1N(O)C1CC(=O)N(c2ccc(F)cc2)C1=O,0,0.0,
+COc1ccccc1N/C(=N/c1nc(C)cc(C)n1)NC(C)=O,0,0.0,
+COc1ccccc1N1C(=O)C2C3C=CC(C3)C2(C)C1=O,0,0.0,
+COc1ccccc1N1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+COc1ccccc1N1C(=O)C2CC(C)=C(C)CC2C1=O,0,0.0,
+COc1ccccc1N1C(=O)C2CC=CC(C)C2C1=O,0,0.0,
+COc1ccccc1N1C(=O)C2ON(c3ccccc3)C(c3ccc(N(C)C)cc3)C2C1=O,0,0.0,
+COc1ccccc1N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O,0,0.0,
+COc1ccccc1N1C(=O)CC(Sc2nc(C)cc(C)n2)C1=O,0,0.0,
+COc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O,0,0.0,
+COc1ccccc1N1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,0,0.0,
+COc1ccccc1N1C(=O)CCC1(C#N)c1ccccc1,0,0.0,
+COc1ccccc1N1C(=O)N(C(C)=O)C2C1Nc1ccccc1N2C,0,0.0,
+COc1ccccc1N1C(=O)NC(=O)C2(Cc3cc(C)ccc3N(C)C2)C1=O,0,0.0,
+COc1ccccc1N1C(=O)c2ccccc2NC1c1ccncc1,0,0.0,
+COc1ccccc1N1C(N)=NC(N)=NC1(C)C,0,0.0,
+COc1ccccc1N1CC(C(=O)Nc2cccc(C(=O)O)c2)CC1=O,0,0.0,
+COc1ccccc1N1CC(C(=O)OC(C)C(=O)N2CCCc3ccccc32)CC1=O,0,0.0,
+COc1ccccc1N1CC(C(=O)OCC(=O)c2ccc(F)cc2)CC1=O,0,0.0,
+COc1ccccc1N1CC(O)=C(c2nc3ccccc3c(=O)[nH]2)C1=N,0,0.0,
+COc1ccccc1N1CC(O)=C(c2nc3ccccc3s2)C1=N,0,0.0,
+COc1ccccc1N1CCN(C(=O)C(C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C(Cc2ccccc2)NC(=O)C2CCCCC2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C(F)F)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C(NS(=O)(=O)c2cccs2)c2ccccc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C2C3C=CC4(CN(Cc5ccccc5Cl)C(=O)C24)O3)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C2CC=CCC2C(=O)O)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C2CCC(Cn3c(=S)[nH]c4ccccc4c3=O)CC2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C2CCCO2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1,1,100.0,0.0
+COc1ccccc1N1CCN(C(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CCCCn2c(=O)[nH]c3ccsc3c2=O)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)CC1,1,100.0,0.0
+COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CCn2c(=O)[nH]c3ccsc3c2=O)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)COc2ccc(C)cc2Br)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CSc2ccc3c(C)cc(C)nc3n2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CC2CCCO2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CSc2nc3ncnc(N)c3[nH]2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccoc3C)o2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)C3CC3)s2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)C3CCC3)s2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)c3ccco3)s2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)Cc2cccs2)CC1,1,100.0,0.0
+COc1ccccc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)Cn2nnc(-c3ccncc3)n2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)N2CCOCC2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)Nc2cccc(C)c2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2c(C)cc(=O)oc2C)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)on2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)on2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc(-c3ccco3)on2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc(-c3cccs3)on2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc(C3CC3)on2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccc(Br)s2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cccc(N3C(=O)NC4CC3(C)Oc3ccccc34)c2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccncc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2ccoc2C)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1,1,100.0,
+COc1ccccc1N1CCN(C(=O)c2cnn3cccnc23)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2nn(-c3ccccc3OC)c(=O)c3ccccc23)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2oc3cc(C)c(C)cc3c2C)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2C)CC1,1,100.0,
+COc1ccccc1N1CCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)CC1,0,0.0,
+COc1ccccc1N1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1,1,100.0,0.0
+COc1ccccc1N1CCN(C(CNC(=O)C2CCCCC2)c2cccnc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(CNC(=O)Oc2ccccc2)c2cccnc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(CNC(=O)c2ccc3c(c2)OCO3)c2cccnc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(CNC(=O)c2ccco2)c2cccnc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(CNS(=O)(=O)c2cc(F)ccc2F)c2cccnc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(CNS(=O)(=O)c2ccc(C)cc2)c2cccnc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(CNS(=O)(=O)c2ccccc2)c2cccnc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(CNS(=O)(=O)c2cccs2)c2cccnc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(c2cc3cc(C)ccc3[nH]c2=O)c2nnnn2C2CCCC2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C2CCCC2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(c2ccc(C)cc2)c2nnnn2C(C)C)CC1,0,0.0,
+COc1ccccc1N1CCN(C(c2ccc(F)cc2)c2nnnn2C(C)C)CC1,0,0.0,
+COc1ccccc1N1CCN(C(c2ccccc2Cl)c2nnnn2C(C)(C)C)CC1,0,0.0,
+COc1ccccc1N1CCN(C(c2cccs2)C(C)NC(=O)c2cccs2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccccc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C(c2cccs2)c2nnnn2C2CCCC2)CC1,0,0.0,
+COc1ccccc1N1CCN(C/C(C)=C/c2ccccc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)CC1,0,0.0,
+COc1ccccc1N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(C2=CC(=O)CCC2)CC1,0,0.0,
+COc1ccccc1N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,0,0.0,
+COc1ccccc1N1CCN(C2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)CC1,0,0.0,
+COc1ccccc1N1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(=O)Nc2c(C)n[nH]c2C)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(=O)Nc2cc(F)ccc2C)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(=O)Nc2ccc(C)c(F)c2)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(=O)Nc2ccc(CN3CCCCC3)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(=O)Nc2cccc(F)c2)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(=O)c2c(C)[nH]c3cc(C)ccc23)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(=O)c2c(C)[nH]c3ccccc23)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(=O)c2c(C)n(C)c3ccccc23)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(=O)c2ccc3ccn(C(C)=O)c3c2)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(O)COc2c(OC)cccc2OC)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(O)COc2ccc3c(C)cc(=O)oc3c2)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,0,0.0,
+COc1ccccc1N1CCN(CC(O)c2ccc3cc[nH]c3c2)CC1,0,0.0,
+COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1,1,100.0,1.0
+COc1ccccc1N1CCN(CCCCOc2ccc(F)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2)CC1,0,0.0,
+COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2C)CC1,0,0.0,
+COc1ccccc1N1CCN(CCNC(=O)Nc2cccc(C)c2C)CC1,0,0.0,
+COc1ccccc1N1CCN(CCOc2c(OC)cccc2OC)CC1,1,100.0,
+COc1ccccc1N1CCN(CCc2n[nH]c(=S)n2-c2ccccc2)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2c(F)cccc2F)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2cc(Br)c(O)c3ncccc23)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1,1,100.0,0.0
+COc1ccccc1N1CCN(Cc2ccc(OC)c3ccccc23)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2cccc(OC)c2O)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2ccccc2Cl)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2ccccc2F)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2ccco2)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2ccsc2)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccccc3)n2)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2nc3ccccc3c(=O)n2CC(C)=O)CC1,0,0.0,
+COc1ccccc1N1CCN(Cc2nnnn2CCc2ccccc2)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)CC23CCC(CC2=O)C3(C)C)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)c2c(C)ccc3nsnc23)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)c2cccc(F)c2)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)c2ccccc2F)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1,0,0.0,
+COc1ccccc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1,0,0.0,
+COc1ccccc1N1CCN(c2cc(=O)n(-c3ccc(Br)cc3)c(=O)[nH]2)CC1,0,0.0,
+COc1ccccc1N1CCN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC1,0,0.0,
+COc1ccccc1N1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1,0,0.0,
+COc1ccccc1N1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1,0,0.0,
+COc1ccccc1N1CCN(c2cc(C)nc3nc(C)nn23)CC1,0,0.0,
+COc1ccccc1N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1,0,0.0,
+COc1ccccc1N1CCN(c2ccc(-c3ccccc3)nn2)CC1,0,0.0,
+COc1ccccc1N1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1,0,0.0,
+COc1ccccc1N1CCN(c2nc(C)nc3c2oc2ccccc23)CC1,0,0.0,
+COc1ccccc1N1CCN(c2nc(N)c(C#N)c(CC#N)c2C#N)CC1,0,0.0,
+COc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1,0,0.0,
+COc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)C)CC1,0,0.0,
+COc1ccccc1N1CCN(c2ncnc3c2oc2ccccc23)CC1,0,0.0,
+COc1ccccc1N1CCN(c2ncnc3nc[nH]c23)CC1,0,0.0,
+COc1ccccc1N1CCSC1C(N)=O,0,0.0,
+COc1ccccc1N1CSC2=C(C#N)C(c3ccc(SC)cc3)CC(=O)N2C1,0,0.0,
+COc1ccccc1N=C(C)C1=C(O)CSC1=O,0,0.0,
+COc1ccccc1N=C1SC(C)CN1C(=O)C1CCC1,0,0.0,
+COc1ccccc1N=C1SCCCN1C,0,0.0,
+COc1ccccc1N=Cc1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+COc1ccccc1N=Cc1nc(-c2ccccc2)oc1OC(C)=O,0,0.0,
+COc1ccccc1N=c1oc2c(OC)cccc2cc1C(=O)NCc1ccco1,0,0.0,
+COc1ccccc1N=c1oc2cc(O)ccc2cc1C(=O)NCC1CCCO1,0,0.0,
+COc1ccccc1N=c1oc2cc(O)ccc2cc1C(N)=O,0,0.0,
+COc1ccccc1N=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1CC1CCCO1,0,0.0,
+COc1ccccc1NC(=O)C(C)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+COc1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+COc1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccc(F)cc1,0,0.0,
+COc1ccccc1NC(=O)C(C)Sc1nnnn1C,0,0.0,
+COc1ccccc1NC(=O)C(C/C=C(\C)Cl)C(C)=O,0,0.0,
+COc1ccccc1NC(=O)C(CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O,0,0.0,
+COc1ccccc1NC(=O)C(O)C(O)C(=O)Nc1ccccc1OC,0,0.0,
+COc1ccccc1NC(=O)C1(C)Cc2ccccc2C(=O)O1,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1ccc(C)cc1,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OC,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1ccccc1F,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)C1c1ccco1,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(C)o1,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc2c(c1)OCO2,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(N(C)C)cc3)nn2C1c1ccncc1,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccs3)nn2C1c1cccc(O)c1,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccs3)nn2C1c1cccnc1,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2C1c1ccc2c(c1)OCO2,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2C1c1cccnc1,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2C1c1ccc(C)o1,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1C,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2C1c1cccs1,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1cc(Br)ccc1OC,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1cccc(Br)c1,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1cccc(C)c1,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1ccccc1OC,0,0.0,
+COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1ccncc1,0,0.0,
+COc1ccccc1NC(=O)C1C2C=CC(O2)C1C(=O)O,0,0.0,
+COc1ccccc1NC(=O)C1C2C=CC3(CN(Cc4cccnc4)C(=O)C13)O2,0,0.0,
+COc1ccccc1NC(=O)C1C2CCCCC21,0,0.0,
+COc1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1,0,0.0,
+COc1ccccc1NC(=O)C1CC(=O)OC1c1ccccc1,0,0.0,
+COc1ccccc1NC(=O)C1CCCCC1,0,0.0,
+COc1ccccc1NC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+COc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,0,0.0,
+COc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+COc1ccccc1NC(=O)C1CCCN1C(=O)NCc1ccccc1,0,0.0,
+COc1ccccc1NC(=O)C1CCN(c2ncccn2)CC1,0,0.0,
+COc1ccccc1NC(=O)CC(=O)CSc1nnc(-c2ccc(C)cc2)n1C,0,0.0,
+COc1ccccc1NC(=O)CC(NCc1ccccc1)C(=O)O,0,0.0,
+COc1ccccc1NC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+COc1ccccc1NC(=O)CC1C(=O)Nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O,0,0.0,
+COc1ccccc1NC(=O)CCC(=O)Nc1ccccc1OC,0,0.0,
+COc1ccccc1NC(=O)CCC(=O)Nc1nnc(C(F)(F)F)s1,0,0.0,
+COc1ccccc1NC(=O)CCC(=O)O,0,0.0,
+COc1ccccc1NC(=O)CCN1C(=O)C2CC=C(Cl)CC2C1=O,0,0.0,
+COc1ccccc1NC(=O)CCN1CCCCCC1,0,0.0,
+COc1ccccc1NC(=O)CCN1CCN(CCC(=O)Nc2ccccc2OC)CC1,0,0.0,
+COc1ccccc1NC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O,0,0.0,
+COc1ccccc1NC(=O)CCSc1nnnn1C,0,0.0,
+COc1ccccc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C,0,0.0,
+COc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1,0,0.0,
+COc1ccccc1NC(=O)CCn1c(=O)sc2ccccc21,0,0.0,
+COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-n2nc(C)cc2C)cc1,0,0.0,
+COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cccs1,0,0.0,
+COc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)n[nH]c1C,0,0.0,
+COc1ccccc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O,0,0.0,
+COc1ccccc1NC(=O)CN1C(=O)C(C)Oc2ccccc21,0,0.0,
+COc1ccccc1NC(=O)CN1C(=O)C2(OCCCO2)c2ccccc21,0,0.0,
+COc1ccccc1NC(=O)CN1C(=O)CCS(=O)(=O)c2ccccc21,0,0.0,
+COc1ccccc1NC(=O)CN1C(=O)NC(C)(C)C1=O,0,0.0,
+COc1ccccc1NC(=O)CN1C(=O)NC(CC(C)C)C1=O,0,0.0,
+COc1ccccc1NC(=O)CN1CCC(n2c(C)nc3cc(F)ccc32)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCCCC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2cc(NC(C)=O)ccc2OC)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2F)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+COc1ccccc1NC(=O)CN1CCN(c2ccccc2F)CC1,0,0.0,
+COc1ccccc1NC(=O)CNC(=O)c1ccc(F)cc1,0,0.0,
+COc1ccccc1NC(=O)CNC(=O)c1ccccc1,0,0.0,
+COc1ccccc1NC(=O)CNS(=O)(=O)c1ccccc1,0,0.0,
+COc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(OC)c(OC)c1,0,0.0,
+COc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0.0,
+COc1ccccc1NC(=O)COc1ccc(/C=N/n2cnnc2)cc1OC,0,0.0,
+COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1OC,0,0.0,
+COc1ccccc1NC(=O)COc1ccc(CO)cc1Cl,0,0.0,
+COc1ccccc1NC(=O)COc1cccc(-n2cnnn2)c1,0,0.0,
+COc1ccccc1NC(=O)CS(=O)(=O)c1cccc2nsnc12,0,0.0,
+COc1ccccc1NC(=O)CSC(=NC(C)C)NC#N,0,0.0,
+COc1ccccc1NC(=O)CSC1=NC(=O)C(NC(C)=O)C(=O)N1,0,0.0,
+COc1ccccc1NC(=O)CSC1CC(=O)N(c2ccc3c(c2)OCO3)C1=O,0,0.0,
+COc1ccccc1NC(=O)CSCC(N)=O,0,0.0,
+COc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccccn3)n2n1,0,0.0,
+COc1ccccc1NC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1,0,0.0,
+COc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1,0,0.0,
+COc1ccccc1NC(=O)CSc1nc(N)cc(N)n1,0,0.0,
+COc1ccccc1NC(=O)CSc1nc(O)cc(=O)[nH]1,0,0.0,
+COc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1OC,0,0.0,
+COc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1C,0,0.0,
+COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCNC(C)=O,0,0.0,
+COc1ccccc1NC(=O)CSc1nc2ccccc2n1C(C)=O,0,0.0,
+COc1ccccc1NC(=O)CSc1nc2nc(C)cc(C)c2c(=O)[nH]1,0,0.0,
+COc1ccccc1NC(=O)CSc1nc2ncccc2[nH]1,0,0.0,
+COc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccco1,0,0.0,
+COc1ccccc1NC(=O)CSc1nccc(=O)[nH]1,0,0.0,
+COc1ccccc1NC(=O)CSc1ncn[nH]1,0,0.0,
+COc1ccccc1NC(=O)CSc1ncnc2c1oc1ccccc12,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)n1C,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CC1CCCO1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)o1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(C)n1CCc1ccccc1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(C)n1Cc1ccccc1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(C)o1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(C2CCCCC2)n1C,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(C2CCCCC2)o1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2)n1C,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1,1,100.0,0.0
+COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)o1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1CCc1ccccc1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C,0,0.0,
+COc1ccccc1NC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1,0,0.0,
+COc1ccccc1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2,0,0.0,
+COc1ccccc1NC(=O)CSc1nnnn1C,0,0.0,
+COc1ccccc1NC(=O)CSc1nnnn1Cc1ccccc1,0,0.0,
+COc1ccccc1NC(=O)Cc1cccs1,0,0.0,
+COc1ccccc1NC(=O)Cc1csc(N)n1,0,0.0,
+COc1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12,0,0.0,
+COc1ccccc1NC(=O)Cc1noc(CN(C)Cc2cccs2)n1,0,0.0,
+COc1ccccc1NC(=O)Cc1noc(CSc2cc(C)c3ccccc3n2)n1,0,0.0,
+COc1ccccc1NC(=O)Cc1noc(CSc2nnc(C)s2)n1,0,0.0,
+COc1ccccc1NC(=O)Cc1noc(CSc2nnnn2-c2cccc(C)c2)n1,0,0.0,
+COc1ccccc1NC(=O)Cn1c(=O)n2nc(C)nc2c2ccccc21,0,0.0,
+COc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21,0,0.0,
+COc1ccccc1NC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc21,0,0.0,
+COc1ccccc1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O,0,0.0,
+COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O,0,0.0,
+COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O,0,0.0,
+COc1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O,0,0.0,
+COc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)NCc3ccco3)c(C)c2c1=O,0,0.0,
+COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1,0,0.0,
+COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1,0,0.0,
+COc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2)c1N,0,0.0,
+COc1ccccc1NC(=O)N(C1CCCC1)C1CCN(C(C)=O)CC1,0,0.0,
+COc1ccccc1NC(=O)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0.0,
+COc1ccccc1NC(=O)N(CCN(C)C)Cc1cc2cc(C)ccc2[nH]c1=O,0,0.0,
+COc1ccccc1NC(=O)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)CC1CCCO1,0,0.0,
+COc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+COc1ccccc1NC(=O)N(Cc1ccccc1)C1=NCC(C)S1,0,0.0,
+COc1ccccc1NC(=O)N(Cc1ccccc1)c1ccccn1,0,0.0,
+COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,0,0.0,
+COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O,0,0.0,
+COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O,0,0.0,
+COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O,0,0.0,
+COc1ccccc1NC(=O)N(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C1CCCC1,0,0.0,
+COc1ccccc1NC(=O)N1CCCC(C(=O)Nc2cccc(C)c2C)C1,0,0.0,
+COc1ccccc1NC(=O)N1CCCC(c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)C1,0,0.0,
+COc1ccccc1NC(=O)N1CCCC1C(=O)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+COc1ccccc1NC(=O)N1CCCC1C(=O)NC1CCCCC1,0,0.0,
+COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccc(F)cc1,0,0.0,
+COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccccc1,0,0.0,
+COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccccc1F,0,0.0,
+COc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc(NC(C)=O)cc1,0,0.0,
+COc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+COc1ccccc1NC(=O)N1CCCC1C(=O)Nc1nnc(C(C)C)s1,0,0.0,
+COc1ccccc1NC(=O)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1,0,0.0,
+COc1ccccc1NC(=O)N1CCN(c2ccc3nncn3n2)CC1,0,0.0,
+COc1ccccc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+COc1ccccc1NC(=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+COc1ccccc1NC(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+COc1ccccc1NC(=O)N1CCN(c2ncccn2)CC1,0,0.0,
+COc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1,0,0.0,
+COc1ccccc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1,0,0.0,
+COc1ccccc1NC(=O)N1CCn2c(nc3ccccc32)C1,0,0.0,
+COc1ccccc1NC(=O)N1c2ccc(F)cc2CCC1C,0,0.0,
+COc1ccccc1NC(=O)NC(N)=O,0,0.0,
+COc1ccccc1NC(=O)NC1(C(=O)N2CCC(O)CC2)CCCCC1,0,0.0,
+COc1ccccc1NC(=O)NCC(=O)Nc1ccc(F)c(F)c1,0,0.0,
+COc1ccccc1NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+COc1ccccc1NC(=O)NCCN1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+COc1ccccc1NC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+COc1ccccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+COc1ccccc1NC(=O)Nc1ccc(Br)cn1,0,0.0,
+COc1ccccc1NC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+COc1ccccc1NC(=O)Nc1ccnn1C1CCCCC1,0,0.0,
+COc1ccccc1NC(=O)Nc1ccnn1Cc1cccs1,0,0.0,
+COc1ccccc1NC(=O)Nc1ncccc1C,0,0.0,
+COc1ccccc1NC(=O)Nc1nnc(C(C)C)s1,0,0.0,
+COc1ccccc1NC(=O)Nn1cnnc1,0,0.0,
+COc1ccccc1NC(=O)Oc1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+COc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C,0,0.0,
+COc1ccccc1NC(=O)c1c(C)cc(=O)oc1C,0,0.0,
+COc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2,0,0.0,
+COc1ccccc1NC(=O)c1cc(C(=O)O)ccc1C(=O)O,0,0.0,
+COc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1,0,0.0,
+COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F,0,0.0,
+COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,0,0.0,
+COc1ccccc1NC(=O)c1cc(Sc2nncn2C)nc2ccccc12,0,0.0,
+COc1ccccc1NC(=O)c1cc2ccc(O)cc2o/c1=N\O,0,0.0,
+COc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\O,0,0.0,
+COc1ccccc1NC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc3c(c1)OCO3)N2,1,100.0,
+COc1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1,0,0.0,
+COc1ccccc1NC(=O)c1ccc(Br)o1,0,0.0,
+COc1ccccc1NC(=O)c1ccc(C)s1,0,0.0,
+COc1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1,0,0.0,
+COc1ccccc1NC(=O)c1ccc(COc2ccccc2OC)o1,0,0.0,
+COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+COc1ccccc1NC(=O)c1ccc(N)cc1,0,0.0,
+COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1,0,0.0,
+COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+COc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+COc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+COc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1,0,0.0,
+COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)N1CCCC1,0,0.0,
+COc1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O,0,0.0,
+COc1ccccc1NC(=O)c1ccccc1SC,0,0.0,
+COc1ccccc1NC(=O)c1cccs1,0,0.0,
+COc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+COc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1OC,0,0.0,
+COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(SC)c2)c1N,0,0.0,
+COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2)c1N,0,0.0,
+COc1ccccc1NC(=O)c1nnn(Cc2ccccc2)c1NC(C)=O,0,0.0,
+COc1ccccc1NC(=O)c1oc2ccc(C)cc2c1C,0,0.0,
+COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1,0,0.0,
+COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccco1,0,0.0,
+COc1ccccc1NC(=O)c1sc2nc(-c3ccco3)ccc2c1N,0,0.0,
+COc1ccccc1NC(C)=O,0,0.0,
+COc1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccccc1,0,0.0,
+COc1ccccc1NC1=C(C)C(=O)CC1,0,0.0,
+COc1ccccc1NC1=NC(c2ccc(Cl)cc2)N=C(N)N1,0,0.0,
+COc1ccccc1NC1=NC2(CCCC2)N=C(N)N1,0,0.0,
+COc1ccccc1NC1=NCC(=O)N1Cc1ccccc1,0,0.0,
+COc1ccccc1NC1C=CS(=O)(=O)C1,0,0.0,
+COc1ccccc1NC1SC(=O)N(c2ccccc2)C1=O,0,0.0,
+COc1ccccc1NC=C1C(=O)OC(C)(C)OC1=O,0,0.0,
+COc1ccccc1NC=C1C(=O)OC2(CCCCC2)OC1=O,0,0.0,
+COc1ccccc1NCCC(=O)OCC(=O)NCc1ccco1,0,0.0,
+COc1ccccc1NCCC(=O)OCC(=O)Nc1ccc(Cl)cn1,0,0.0,
+COc1ccccc1NCN1C(=O)CCC1=O,0,0.0,
+COc1ccccc1NS(=O)(=O)CC12CCC(CC1=O)C2(C)C,0,0.0,
+COc1ccccc1NS(=O)(=O)c1[nH]c(=O)[nH]c(=O)c1C,0,0.0,
+COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCN2CCOCC2)ccc1Cl,0,0.0,
+COc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC,0,0.0,
+COc1ccccc1NS(=O)(=O)c1ccc(Br)s1,0,0.0,
+COc1ccccc1NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1,0,0.0,
+COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC2CCCO2)c1,0,0.0,
+COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1,0,0.0,
+COc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1,0,0.0,
+COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2nc3ncccn3n2)cc1,0,0.0,
+COc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1,0,0.0,
+COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(N)=O)c1,0,0.0,
+COc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1,0,0.0,
+COc1ccccc1NS(=O)(=O)c1ccc2oc(SC3CCOC3=O)nc2c1,0,0.0,
+COc1ccccc1NS(=O)(=O)c1cccc2cccnc12,0,0.0,
+COc1ccccc1NS(=O)(=O)c1ccccc1C#N,0,0.0,
+COc1ccccc1Nc1cc(C(=O)NCCCN2CCOCC2)c2ccccc2n1,0,0.0,
+COc1ccccc1Nc1ccc(C(=O)NC2CCCCC2)cn1,0,0.0,
+COc1ccccc1Nc1nc(-c2cccs2)cs1,0,0.0,
+COc1ccccc1Nc1nc(C)cc(=O)[nH]1,0,0.0,
+COc1ccccc1Nc1nc(C)cc(C)c1C(N)=O,0,0.0,
+COc1ccccc1Nc1nc(C)cs1,0,0.0,
+COc1ccccc1Nc1nc(C2(C)CCC(=O)O2)cs1,0,0.0,
+COc1ccccc1Nc1nc(N)nc(-c2cc3ccccc3o2)n1,0,0.0,
+COc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1,0,0.0,
+COc1ccccc1Nc1nc(N)nc(CN2CCC(Cc3ccccc3)CC2)n1,1,100.0,1.0
+COc1ccccc1Nc1nc(N)nc(CN2CCCCCC2)n1,0,0.0,
+COc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccc3F)CC2)n1,0,0.0,
+COc1ccccc1Nc1nc(N)nc(CN2CCOCC2)n1,0,0.0,
+COc1ccccc1Nc1nc(N)nc(CN2CCc3ccccc3C2)n1,0,0.0,
+COc1ccccc1Nc1nc(N)nc(CSCCO)n1,0,0.0,
+COc1ccccc1Nc1nc(N)nc(CSc2nc(C)cc(C)n2)n1,0,0.0,
+COc1ccccc1Nc1nc(N)nc(CSc2nccc(C)n2)n1,0,0.0,
+COc1ccccc1Nc1nc(N)nc(CSc2ncccn2)n1,0,0.0,
+COc1ccccc1Nc1nc(N)nc(CSc2nnc(C)s2)n1,0,0.0,
+COc1ccccc1Nc1nc(N)nc(CSc2nncn2C)n1,0,0.0,
+COc1ccccc1Nc1nc(NCCO)c2ccccc2n1,0,0.0,
+COc1ccccc1Nc1nc2c(s1)CCC2,0,0.0,
+COc1ccccc1Nc1nc2ccccc2[nH]1,0,0.0,
+COc1ccccc1Nc1nc2ccccc2n1C,1,100.0,0.0
+COc1ccccc1Nc1ncc(-c2cccs2)s1,0,0.0,
+COc1ccccc1Nc1ncc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc12,0,0.0,
+COc1ccccc1Nc1ncc(C(C)=O)c(C)n1,0,0.0,
+COc1ccccc1Nc1ncccc1C(=O)O,0,0.0,
+COc1ccccc1Nc1ncnc2c1cnn2-c1cccc(C)c1,0,0.0,
+COc1ccccc1Nc1ncnc2c1oc1ccccc12,0,0.0,
+COc1ccccc1Nc1ncnc2ccccc12,0,0.0,
+COc1ccccc1Nc1nnc(SCC(=O)N2CCCC2)s1,0,0.0,
+COc1ccccc1Nc1nnc(SCC(=O)N2CCCC2=O)s1,0,0.0,
+COc1ccccc1OC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1,0,0.0,
+COc1ccccc1OC(=O)c1ccc(SC)cc1OC,0,0.0,
+COc1ccccc1OC(=O)c1ccc2nsnc2c1,0,0.0,
+COc1ccccc1OC1=NS(=O)(=O)c2ccccc21,0,0.0,
+COc1ccccc1OCC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C,0,0.0,
+COc1ccccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1,0,0.0,
+COc1ccccc1OCC(=O)N1CCN(c2ccccc2OC)CC1,0,0.0,
+COc1ccccc1OCC(=O)N1CCNC1=O,0,0.0,
+COc1ccccc1OCC(=O)NC1CCCCCC1,0,0.0,
+COc1ccccc1OCC(=O)NCC1CCCCC1,0,0.0,
+COc1ccccc1OCC(=O)NCCNC(=O)COc1ccccc1OC,0,0.0,
+COc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1,0,0.0,
+COc1ccccc1OCC(=O)NCc1ccco1,0,0.0,
+COc1ccccc1OCC(=O)NCc1cccs1,0,0.0,
+COc1ccccc1OCC(=O)Nc1ccc(O)cc1C(=O)O,0,0.0,
+COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1,0,0.0,
+COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1,0,0.0,
+COc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1,0,0.0,
+COc1ccccc1OCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1,0,0.0,
+COc1ccccc1OCC(=O)Nc1nnc(-c2ccco2)s1,0,0.0,
+COc1ccccc1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N,0,0.0,
+COc1ccccc1OCC(=O)O,0,0.0,
+COc1ccccc1OCC(=O)OCC(=O)NCCN1C(=O)CSC1=O,0,0.0,
+COc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl,0,0.0,
+COc1ccccc1OCC(=O)Sc1ccc(C)cc1,0,0.0,
+COc1ccccc1OCC(=O)c1[nH]c(C)c(C(C)=O)c1C,0,0.0,
+COc1ccccc1OCC(O)CN1C(=O)NC(C)(C)C1=O,0,0.0,
+COc1ccccc1OCC(O)COC(N)=O,0,0.0,
+COc1ccccc1OCC(O)Cn1c(=N)n(CCN2CCCCC2)c2ccccc21,1,100.0,0.0
+COc1ccccc1OCC(O)Cn1c(=N)n(Cc2ccccc2)c2ccccc21,0,0.0,
+COc1ccccc1OCC(O)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+COc1ccccc1OCC(O)Cn1nc(C)cc1C,0,0.0,
+COc1ccccc1OCCC(=O)OCC(=O)NC(=O)NC(C)(C)C,0,0.0,
+COc1ccccc1OCCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl,0,0.0,
+COc1ccccc1OCCC(=O)OCCN1C(=O)c2ccccc2C1=O,0,0.0,
+COc1ccccc1OCCCCCNCCO,0,0.0,
+COc1ccccc1OCCCCCc1c(C)n[nH]c1C,0,0.0,
+COc1ccccc1OCCCCNC(C)(C)C,0,0.0,
+COc1ccccc1OCCCCNCCO,0,0.0,
+COc1ccccc1OCCCc1c(C)n[nH]c1C,0,0.0,
+COc1ccccc1OCCCn1c(=O)oc2ccc(C)cc21,0,0.0,
+COc1ccccc1OCCCn1c(=O)oc2ccccc21,0,0.0,
+COc1ccccc1OCCCn1c(=O)sc2ccccc21,0,0.0,
+COc1ccccc1OCCCn1c(C)c(C#N)c2ccccc21,0,0.0,
+COc1ccccc1OCCCn1cc(C#N)c2ccccc21,0,0.0,
+COc1ccccc1OCCCn1cc(C(=O)c2ccco2)c2ccccc21,0,0.0,
+COc1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+COc1ccccc1OCCNC(=O)c1ccccc1C,0,0.0,
+COc1ccccc1OCCNC(=O)c1cccs1,0,0.0,
+COc1ccccc1OCCNC1=NCCC1,0,0.0,
+COc1ccccc1OCCOCCn1cnc2ccccc2c1=O,0,0.0,
+COc1ccccc1OCCOc1ccc(/C=N/n2cnnc2)cc1,1,100.0,0.0
+COc1ccccc1OCCOc1ccccc1/C=N/n1cnnc1,0,0.0,
+COc1ccccc1OCCSc1nc2ccccc2c(=O)[nH]1,0,0.0,
+COc1ccccc1OCCSc1ncnc2nc[nH]c12,0,0.0,
+COc1ccccc1OCCSc1nnc(C)n1-c1ccccc1,0,0.0,
+COc1ccccc1OCCSc1nnnn1-c1ccc(C)cc1,0,0.0,
+COc1ccccc1OCCn1c(=O)sc2ccccc21,0,0.0,
+COc1ccccc1OCCn1c(C(C)O)nc2ccccc21,0,0.0,
+COc1ccccc1OCCn1c(CO)nc2ccccc21,0,0.0,
+COc1ccccc1OCCn1cc(C(=O)c2ccco2)c2ccccc21,0,0.0,
+COc1ccccc1OCc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+COc1ccccc1OCc1ccc(C(=O)N2CCN3CCCC3C2)cc1,0,0.0,
+COc1ccccc1OCc1ccc(C(=O)NC(C)(C)C)o1,0,0.0,
+COc1ccccc1OCc1ccc(C(=O)NCCN(C)C)o1,0,0.0,
+COc1ccccc1OCc1ccc(C(=O)NCc2ccco2)o1,0,0.0,
+COc1ccccc1OCc1ccc(C(=O)Nc2ccncc2)o1,0,0.0,
+COc1ccccc1OCc1ccc(C(=O)OCC2CCCO2)o1,0,0.0,
+COc1ccccc1OCc1ccc(C(=O)n2nc(C)c(Cl)c2C)o1,0,0.0,
+COc1ccccc1OCc1csc(NC(=O)c2ccco2)n1,0,0.0,
+COc1ccccc1OCc1nc(C#N)c(N2CC(C)CC(C)C2)o1,0,0.0,
+COc1ccccc1OCc1nc(C#N)c(N2CCC(C(N)=O)CC2)o1,0,0.0,
+COc1ccccc1OCc1nc(C#N)c(NCc2ccco2)o1,0,0.0,
+COc1ccccc1OCc1nc(Cc2ccc(Cl)cc2)no1,0,0.0,
+COc1ccccc1OCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1,0,0.0,
+COc1ccccc1OCc1nc2ccccc2[nH]1,0,0.0,
+COc1ccccc1OCc1nnc(SCC(=O)N2CCCCC2)n1-c1ccccc1,0,0.0,
+COc1ccccc1OCc1nnc(SCC(=O)NCc2ccco2)n1Cc1ccco1,0,0.0,
+COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1C,0,0.0,
+COc1ccccc1OCc1nnc(SCC(=O)c2cc(Cl)ccc2OC)o1,0,0.0,
+COc1ccccc1OCc1nnc(SCCN2CCOCC2)o1,0,0.0,
+COc1ccccc1OP(C)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+COc1ccccc1OP(C)(=O)Nc1ccc(C)c(C)c1,0,0.0,
+COc1ccccc1OP(C)(=O)Nc1ccc(C)cc1,0,0.0,
+COc1ccccc1Oc1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O,0,0.0,
+COc1ccccc1Oc1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O,0,0.0,
+COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O,0,0.0,
+COc1ccccc1Oc1cc(C#N)c(C#N)cc1-n1nnc2ccccc21,0,0.0,
+COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+COc1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+COc1ccccc1Oc1ccc(S(=O)(=O)NCc2ccccn2)cc1,0,0.0,
+COc1ccccc1Oc1ccc(S(=O)(=O)Nc2cccnc2)cc1,0,0.0,
+COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O,0,0.0,
+COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O,0,0.0,
+COc1ccccc1Oc1ccccc1C(=O)O,0,0.0,
+COc1ccccc1Oc1coc2c(CN3CCN(C)CC3)c(O)ccc2c1=O,0,0.0,
+COc1ccccc1Oc1coc2cc(O)ccc2c1=O,0,0.0,
+COc1ccccc1Oc1coc2cc(OC(=O)N3CCOCC3)ccc2c1=O,0,0.0,
+COc1ccccc1Oc1nc2c(c(=O)n(Cc3ccccc3F)c(=O)n2C)n1C,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccc(C)cc3)C(C)C2)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCOCC2)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NC(C)c2ccc3c(c2)OCCO3)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NC2CCCCC2)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN(C)C)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCC2)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCCCC2)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1,0,0.0,
+COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccs2)o1,1,100.0,
+COc1ccccc1S(=O)(=O)n1cc(Cc2ccccc2)c(N)n1,0,0.0,
+COc1ccccc1[S+]([O-])Cc1ccc(C(=O)NC2CCCC2)o1,0,0.0,
+COc1ccccc1[S+]([O-])Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)o1,1,100.0,0.0
+COc1ccccc1[S+]([O-])Cc1ccc(C(=O)NCc2ccccc2Cl)o1,0,0.0,
+COc1ccccc1[S+]([O-])Cc1ccc(C(=O)O)o1,0,0.0,
+COc1n[nH]c2nncnc12,0,0.0,
+COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccnc2)n1,0,0.0,
+COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccco2)n1,0,0.0,
+COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccco2)n1,0,0.0,
+COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccncc2)n1,0,0.0,
+COc1nc(-c2ccccc2)cc(-c2ccc(OC)c(OC)c2)n1,0,0.0,
+COc1nc(-c2ccccc2)cc(-c2ccccc2)n1,0,0.0,
+COc1nc(-c2ccccc2)cc(C(F)(F)F)n1,0,0.0,
+COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(F)cc2)n1,0,0.0,
+COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2)n1,0,0.0,
+COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2F)n1,0,0.0,
+COc1nc(-c2ccccc2)ccc1-c1noc(-c2cccnc2)n1,0,0.0,
+COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1,0,0.0,
+COc1nc(-c2ccccc2)ccc1-c1noc(-c2cccs2)n1,0,0.0,
+COc1nc(-c2ccccc2)ccc1-c1noc(C)n1,0,0.0,
+COc1nc(-c2ccccc2)ccc1-c1noc(COc2ccccc2)n1,0,0.0,
+COc1nc(/C(N)=N/O)nc(N2CCCCC2)n1,0,0.0,
+COc1nc(C#N)c(N2CCOCC2)o1,0,0.0,
+COc1nc(C)ccc1-c1noc(-c2ccccn2)n1,0,0.0,
+COc1nc(C)ccc1-c1noc(-c2ccncc2)n1,0,0.0,
+COc1nc(C)nc2c1sc(=S)n2C,0,0.0,
+COc1nc(N(C#N)CC(N)=O)nc(N2CCCC2)n1,0,0.0,
+COc1nc(N(C)C)nc(-n2nnc(C(C)=O)c2C)n1,0,0.0,
+COc1nc(N(C)C)nc(N(OC)S(=O)(=O)c2ccccc2Cl)n1,0,0.0,
+COc1nc(N(C)S(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl,0,0.0,
+COc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1,0,0.0,
+COc1nc(N)nc(CC(=O)C2CC2)n1,0,0.0,
+COc1nc(N)nc(N2CCOCC2)n1,0,0.0,
+COc1nc(N)nc(NC23CC4CC(CC(C4)C2)C3)n1,0,0.0,
+COc1nc(N2CCCC2)nc(-n2cc(-c3ccccc3)nn2)n1,0,0.0,
+COc1nc(N2CCCCCC2)nc(N2CCCCCC2)n1,0,0.0,
+COc1nc(N2CCOCC2)nc(-n2cccc2)n1,0,0.0,
+COc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1,0,0.0,
+COc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1,0,0.0,
+COc1nc(NC(C)=O)nc(C)c1Br,1,100.0,0.0
+COc1nc(NC23CC4CC(CC(C4)C2)C3)nc(OC)n1,0,0.0,
+COc1nc(NCC(C)C)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1,0,0.0,
+COc1nc(NCC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1,0,0.0,
+COc1nc(NCCC2=CCCCC2)nc(OC)n1,0,0.0,
+COc1nc(NCCN2CCOCC2)nc(Nc2ccccc2)n1,0,0.0,
+COc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1,0,0.0,
+COc1nc(NCCc2ccc(OC)c(OC)c2)nc(OC)n1,0,0.0,
+COc1nc(NCc2ccc(Cl)cc2)nc(OC)n1,0,0.0,
+COc1nc(NCc2cccnc2)nc(OC)n1,0,0.0,
+COc1nc(NCc2ccco2)nc(N2CCC(C)CC2)n1,0,0.0,
+COc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl,0,0.0,
+COc1nc(Nc2ccc(-c3nc4ccccc4o3)cc2)nc(N2CCOCC2)n1,0,0.0,
+COc1nc(Nc2ccc(C(C)=O)cc2)nc(OC)n1,0,0.0,
+COc1nc(Nc2ccc(OC)c(Cl)c2)nc(OC)n1,1,100.0,0.0
+COc1nc(Nc2ccc3c(c2)OCO3)nc(OC)n1,0,0.0,
+COc1nc(Nc2cccc(C(F)(F)F)c2)nc(OC)n1,0,0.0,
+COc1nc(Nc2cccc(C)c2)nc(N2CCCCC2)n1,0,0.0,
+COc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(C)cc12,1,100.0,
+COc1nc(OC)nc(N(C)CCO)n1,0,0.0,
+COc1nc(OC)nc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1,0,0.0,
+COc1nc(OC)nc(N2CCC(C(=O)NCC3CCCCC3)CC2)n1,0,0.0,
+COc1nc(OC)nc(N2CCC(C(=O)NCc3ccco3)CC2)n1,0,0.0,
+COc1nc(OC)nc(N2CCC(C(=O)NCc3cccs3)CC2)n1,0,0.0,
+COc1nc(OC)nc(N2CCC(C(=O)Nc3cccc4c3CCCC4)CC2)n1,0,0.0,
+COc1nc(OC)nc(N2CCC(C(=O)Nc3cccc4ccccc34)CC2)n1,0,0.0,
+COc1nc(OC)nc(N2CCC(NC(=O)C(Cc3ccc(C(C)C)cc3)NC(C)=O)CC2)n1,0,0.0,
+COc1nc(OC/C(N)=N/O)nc(N2CCOCC2)n1,0,0.0,
+COc1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1,0,0.0,
+COc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1,0,0.0,
+COc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1,0,0.0,
+COc1nc(Oc2ccc(C(=O)OCC(N)=O)cc2)nc(N(C)C)n1,0,0.0,
+COc1nc2c(C)cccc2cc1-c1noc(-c2ccncc2)n1,0,0.0,
+COc1nc2c(s1)C(=O)NCCC2,0,0.0,
+COc1nc2cc(C)ccc2cc1-c1noc(-c2cccnc2)n1,0,0.0,
+COc1nc2ccc(C)cc2cc1-c1noc(-c2cccnc2)n1,0,0.0,
+COc1nc2ccccc2c(=O)n1OCC(C)C,0,0.0,
+COc1nc2ccccc2cc1-c1noc(-c2cccnc2)n1,0,0.0,
+COc1nccc(Nc2ccccc2)c1C#N,0,0.0,
+COc1ncccc1C(=O)NCC(CC(=O)O)c1ccccc1,0,0.0,
+COc1ncnc(OC)c1NC(=O)c1ccc(F)cc1,0,0.0,
+COc1ncnc2c1N=C1CC(C)(C)CC(N)=C1S2,1,100.0,
+COc1ncnc2c1NC(=O)CS2,0,0.0,
+COc1ncnc2c1N[C@@](C)(O)c1c(F)c(F)c(F)c(F)c1S2,0,0.0,
+COc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3,0,0.0,
+COc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCCC3,0,0.0,
+COc1ncnc2sc(-c3ccccc3)cc12,0,0.0,
+COc1nnc(-c2ccc(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)c2ccccc12,0,0.0,
+COc1nnc(-c2ccc(C)c(S(=O)(=O)NCCO)c2)c2ccccc12,0,0.0,
+COc1nnc(-c2ccc(N3CCCCC3)c(N)c2)c2ccccc12,0,0.0,
+COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccco3)c2)c2ccccc12,0,0.0,
+COc1nnc(-c2ccc(N3CCOCC3)c(NC(C)=O)c2)c2ccccc12,0,0.0,
+COc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3,0,0.0,
+COc1nonc1NCn1nc(C)cc1C,0,0.0,
+COc1oc(-c2ccccc2)nc1C(F)(F)F,0,0.0,
+COn1c(-n2nc(C)cc2C)nc2ccccc2c1=O,0,0.0,
+COn1c(=O)c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc21,0,0.0,
+COn1c(=S)[nH]c2ccccc2c1=O,0,0.0,
+COn1c(C)c(C(C)=O)c2c3nonc3ccc21,0,0.0,
+COn1c(SC2CCCCC2)nc2ccccc2c1=O,0,0.0,
+COn1c(SCC(=O)N(C)C)nc2ccccc2c1=O,0,0.0,
+COn1c(SCC(N)=O)nc2ccccc2c1=O,0,0.0,
+COn1c(SCc2cccnc2)nc2ccccc2c1=O,0,0.0,
+COn1cnnc1-c1ccccc1,0,0.0,
+CP(=O)(NC(=O)Nc1ccccc1)Oc1ccccc1,0,0.0,
+CP(=O)(Nc1ccc2c(c1)OCCO2)Oc1ccccc1,0,0.0,
+CP(=O)(Nc1ccccc1F)Oc1ccccc1,0,0.0,
+CP(=O)(Nc1ccccn1)Oc1ccccc1,0,0.0,
+CP(=O)(O)CCCN,0,0.0,
+CP(=O)(Oc1ccccc1)N1CCOC1=O,0,0.0,
+CP(=S)(Nn1cnnc1)Oc1ccccc1,0,0.0,
+CP(C)(=O)CCC(=O)O,0,0.0,
+CS(=O)(=O)C1=C(O)C(=O)N(CCCC(=O)O)C1c1ccccc1F,0,0.0,
+CS(=O)(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1,0,0.0,
+CS(=O)(=O)CCC(C(=O)N1CCOCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O,0,0.0,
+CS(=O)(=O)CCC(C(=O)n1nnc2ccccc21)N1C(=O)c2ccccc2C1=O,0,0.0,
+CS(=O)(=O)Cc1nc2ccccc2oc1=O,0,0.0,
+CS(=O)(=O)N(C(=O)NC(=O)NC1CCS(=O)(=O)C1)C1CCCCC1,0,0.0,
+CS(=O)(=O)N(C(=O)NC(=O)OCC1COc2ccccc2O1)C1CCCCC1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)C1CCCCC1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Oc2ccccc2)cc1,1,100.0,0.0
+CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(OCc2ccccc2)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCCC1)c1cccc(Cl)c1Cl,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCCCC1)C1CCCCC1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCCCC1)c1sc2c(c1C#N)CCCC2,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(Br)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc2c(c1)OCCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1cccc(Br)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccccc1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)C1CCCCC1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccccc1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCCCC1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(F)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Br)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1cc(C(F)(F)F)ccc1Cl,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1cccc(C(F)(F)F)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccccc1,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc2c3c(cccc13)CC2,0,0.0,
+CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)NC1CC1)c1cccc(F)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)NC1CC2CCC1C2)c1cccc(C(F)(F)F)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc(F)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1cccc(Cl)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1ccccc1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCC1CCCO1)Cc1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1cc(Cl)cc(Cl)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1cc(Cl)ccc1Cl,0,0.0,
+CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccc(Cl)c(Cl)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccc(F)c(Cl)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)C1CCCCC1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)NCCSCc1c(F)cccc1Cl)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1ccccn1)Cc1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccc2c(c1)OCCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1cccnc1)Cc1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1ccco1)Cc1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1ccco1)c1cc(C(F)(F)F)ccc1Cl,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(Cl)c(C(F)(F)F)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1ccncc1)Cc1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1cc(Cl)cc(Cl)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1,0,0.0,
+CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1,0,0.0,
+CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1,0,0.0,
+CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)Cc1ccccc1,0,0.0,
+CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc2c(c1)OCCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(=O)O)c1cc(Cl)cc(Cl)c1,0,0.0,
+CS(=O)(=O)N(CC(=O)O)c1ccc(Oc2ccccc2)cc1,0,0.0,
+CS(=O)(=O)N(CC(=O)O)c1ccc2c(c1)OCO2,1,100.0,0.0
+CS(=O)(=O)N(CC(=O)O)c1cccc(Cl)c1,0,0.0,
+CS(=O)(=O)N(CC(N)=O)Cc1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)N(CC(N)=O)c1ccc(F)c(Cl)c1,0,0.0,
+CS(=O)(=O)N(CC(N)=O)c1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccccc1,0,0.0,
+CS(=O)(=O)N(CCC(=O)O)Cc1ccccc1,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCCCC1,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCc2ccccc2C1,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCC1CCCO1,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccccn1,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1cccnc1,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccco1,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+CS(=O)(=O)N(CCc1ccccc1)CC(N)=O,0,0.0,
+CS(=O)(=O)N(Cc1ccc(C(=O)NC2CCCCC2O)cc1)c1ccccc1,0,0.0,
+CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccco2)cc1)c1ccccc1,1,100.0,
+CS(=O)(=O)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1,0,0.0,
+CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NC2CCCCC2O)cc1,0,0.0,
+CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)O,0,0.0,
+CS(=O)(=O)N(Cc1ccccc1)c1ccccn1,0,0.0,
+CS(=O)(=O)N(Cc1ccco1)CC(O)Cn1c2ccccc2c2ccccc21,0,0.0,
+CS(=O)(=O)N(Cc1ccco1)Cc1ccccc1Cl,0,0.0,
+CS(=O)(=O)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1,0,0.0,
+CS(=O)(=O)N(Cc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1F,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)NCc2ccncc2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)Nc2c(F)cccc2F)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2F)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Sc2ccccc2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(C(=O)c2cccc(Cl)c2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(NC(=O)Cc2ccccc2)CC1,0,0.0,
+CS(=O)(=O)N1CCC(c2noc(-c3ccc(C(F)(F)F)cc3)n2)CC1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NC2CCCCCCC2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NCCCN2CCC(Cc3ccccc3)CC2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NCCCN2CCOCC2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NCCCN2CCc3ccccc3C2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NCc2ccc(F)cc2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NCc2ccc(F)cc2Cl)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(C(=O)NCc2cccs2)C1,0,0.0,
+CS(=O)(=O)N1CCCC(c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)no2)C1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1,1,100.0,1.0
+CS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)Cc2ccccc2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)Cc2cccs2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc23)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)c2ccccc2)C1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)c2ccncc2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C(=O)c2csc3ccccc23)CC1,0,0.0,
+CS(=O)(=O)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(CC2CC3C=CC2C3)CC1,1,100.0,
+CS(=O)(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2ccccc2NC(=O)CSc2ccc(Cl)cc2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccnc2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccs2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2ncccn2)CC1,0,0.0,
+CS(=O)(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1,0,0.0,
+CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc21,0,0.0,
+CS(=O)(=O)N1CCc2cc(-c3csc(NCC4CCCO4)n3)ccc21,0,0.0,
+CS(=O)(=O)N1CCc2cc(C(=O)N3CCCCC3)ccc21,0,0.0,
+CS(=O)(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc21,0,0.0,
+CS(=O)(=O)N1CCc2cc(C(=O)OCC(=O)c3ccccc3)ccc21,0,0.0,
+CS(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21,0,0.0,
+CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21,0,0.0,
+CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4oc5c(c4c3)CCCC5)ccc21,0,0.0,
+CS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1ccccc1C(N)=O,0,0.0,
+CS(=O)(=O)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+CS(=O)(=O)NC1c2cccc3cccc(c23)C1N1CCOCC1,0,0.0,
+CS(=O)(=O)NC1c2cccc3cccc(c23)C1Sc1nncn1/N=C/c1ccco1,0,0.0,
+CS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+CS(=O)(=O)NCCC1=CCCCC1,0,0.0,
+CS(=O)(=O)NCCCc1ccccc1,0,0.0,
+CS(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,0,0.0,
+CS(=O)(=O)NCCSCc1c(F)cccc1Cl,0,0.0,
+CS(=O)(=O)NCCSCc1ccc(Cl)cc1,0,0.0,
+CS(=O)(=O)NCCSCc1ccccc1,0,0.0,
+CS(=O)(=O)NCCSCc1ccco1,0,0.0,
+CS(=O)(=O)NCCSc1nnnn1-c1ccccc1,0,0.0,
+CS(=O)(=O)NCc1ccc(C(=O)NC2CCCCC2)cc1,0,0.0,
+CS(=O)(=O)NCc1ccc(C(=O)NCCOc2ccccc2)cc1,0,0.0,
+CS(=O)(=O)NCc1ccc(C(=O)NCc2ccccc2)cc1,0,0.0,
+CS(=O)(=O)NCc1csc(-c2ccccc2)n1,0,0.0,
+CS(=O)(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccc(F)cc1,0,0.0,
+CS(=O)(=O)NCc1nnc(SCc2ccccc2C(F)(F)F)o1,0,0.0,
+CS(=O)(=O)Nc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(C(=O)NC2CCCC2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(C(=O)NCCC2=CCCCC2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccco2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(C(=O)NCc2ccco2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(Cc2ccc(NS(C)(=O)=O)cc2)cc1,1,100.0,0.0
+CS(=O)(=O)Nc1ccc(N2CCCCC2)c(Cl)c1,0,0.0,
+CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,0,0.0,
+CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,0,0.0,
+CS(=O)(=O)Nc1ccc2c(c1)C(=O)OC2,0,0.0,
+CS(=O)(=O)Nc1ccc2c(c1)nc1n2CCOC1,0,0.0,
+CS(=O)(=O)Nc1ccc2c3c(cccc13)CC2,0,0.0,
+CS(=O)(=O)Nc1cccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)c1,0,0.0,
+CS(=O)(=O)Nc1cccc(C(=O)CC2(O)C(=O)Nc3ccccc32)c1,0,0.0,
+CS(=O)(=O)Nc1cccc2cccnc12,0,0.0,
+CS(=O)(=O)Nc1ccccc1C(=O)N1CCCC1,0,0.0,
+CS(=O)(=O)Nc1ccccc1C(=O)N1CCOCC1,0,0.0,
+CS(=O)(=O)Nc1ccccc1C(=O)NC1CC2CCC1C2,0,0.0,
+CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccco1,0,0.0,
+CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1,1,100.0,0.0
+CS(=O)(=O)Nc1ccccc1C(=O)O,0,0.0,
+CS(=O)(=O)Nc1ccccc1C(=O)c1ccccc1,0,0.0,
+CS(=O)(=O)Nc1ccccc1Oc1ccccc1,0,0.0,
+CS(=O)(=O)Nc1nnc(Cc2ccccc2)s1,0,0.0,
+CS(=O)(=O)Nn1cnc2ccccc2c1=O,0,0.0,
+CS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1,0,0.0,
+CS(=O)(=O)c1ccc(C(=O)NC2CCOC2=O)cc1,0,0.0,
+CS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1,0,0.0,
+CS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1,0,0.0,
+CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c1,0,0.0,
+CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1,0,0.0,
+CS(=O)(=O)c1ccc(N)cc1,0,0.0,
+CS(=O)(=O)c1ccc(N2CCN(C3CC(=O)NC3=O)CC2)cc1,0,0.0,
+CS(=O)(=O)c1ccc(N2CCOCC2)c(S(C)(=O)=O)c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(N)sc2c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(NC(=O)C3C4C=CC(C4)C3C(=O)O)sc2c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(NC(=O)CC3CCCC3)sc2c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(NC(=O)CN3CCN(Cc4ccccc4)CC3)sc2c1,1,100.0,0.0
+CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(NC(=O)Oc3ccccc3)sc2c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(NC(NC(=O)c3ccco3)(C(F)(F)F)C(F)(F)F)sc2c1,0,0.0,
+CS(=O)(=O)c1ccc2nc(NC3(C(F)(F)F)N=C4SCCN4C3=O)sc2c1,0,0.0,
+CS(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1,0,0.0,
+CS(=O)(=O)c1cccc(C(=O)Oc2ccccc2)c1,0,0.0,
+CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1,0,0.0,
+CS(=O)(=O)c1nc(-c2ccco2)cc(C(F)(F)F)n1,0,0.0,
+CS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1,0,0.0,
+CS(=O)(=O)c1nc2c(c(C(F)(F)F)n1)CCCC2,0,0.0,
+CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)cc2)n1,0,0.0,
+CS(=O)(=O)c1nncn1-c1ccccc1,0,0.0,
+CS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N,0,0.0,
+CS(=O)(=O)n1nc(C(=O)N2CCOCC2)nc1N,0,0.0,
+CS(=O)(=O)n1nc(OC(=O)c2cccc3ccccc23)cc1N,0,0.0,
+C[S+]([O-])CCC(NS(=O)(=O)c1ccccc1)C(=O)O,0,0.0,
+C[S+]([O-])CSc1nc2c(cc1C#N)CCCC2,1,100.0,1.0
+C[S+]([O-])c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N,0,0.0,
+CS(C)(=O)=NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CS/C(=N\S(=O)(=O)c1ccc(N)cc1)NS(=O)(=O)c1cccs1,0,0.0,
+CS/C(=N\S(=O)(=O)c1cccs1)NC(=O)CSc1nc2ccccc2s1,0,0.0,
+CS/C(=N\S(=O)(=O)c1cccs1)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+CSC(=NC1CCCCC1)NS(=O)(=O)c1ccccc1,0,0.0,
+CSC(=NCCCN1CCOCC1)NS(=O)(=O)c1cccs1,0,0.0,
+CSC(=NCc1cccnc1)NS(=O)(=O)c1cccs1,0,0.0,
+CSC(=NS(=O)(=O)c1ccc(C)cc1)SC,0,0.0,
+CSC(=Nc1ccccc1)C1=C(O)COC1=O,0,0.0,
+CSC(=Nc1ccccc1)c1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+CSC(=O)CC(=O)NC(=O)c1ccccc1,0,0.0,
+CSC(=O)NC12CC3CC(CC(C)(C3)C1)C2,0,0.0,
+CSC1=C(C#N)C(C)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CSC1=C(C#N)C(C)CC(=O)N1,0,0.0,
+CSC1=C(C#N)C(CC(C)C)C(C(C)=O)=C(C)N1,0,0.0,
+CSC1=C(C#N)C(CC(C)C)C2=C(CCCC2=O)N1,0,0.0,
+CSC1=C(C#N)C(c2ccc(C(C)C)cc2)CC(=O)N1,0,0.0,
+CSC1=C(C#N)C(c2ccc(C)cc2)C2=C(CCCC2=O)N1,0,0.0,
+CSC1=C(C#N)C(c2ccc(C)s2)CC(=O)N1,0,0.0,
+CSC1=C(C#N)C(c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1,0,0.0,
+CSC1=C(C#N)C(c2cccc(Br)c2)CC(=O)N1,0,0.0,
+CSC1=C(C#N)C(c2ccccc2C)C(C#N)=C(N)N1,0,0.0,
+CSC1=C(C#N)C(c2ccccc2Cl)C2=C(CCCC2=O)N1,0,0.0,
+CSC1=C(C#N)C(c2cccs2)CC(=O)N1C,0,0.0,
+CSC1=C(C#N)C2(CCCC2)C(C#N)=C(N)N1,0,0.0,
+CSC1=N/C(=C\C=C\c2cccs2)C(=O)S1,0,0.0,
+CSC1=N/C(=C\c2ccc(C)o2)C(=O)S1,0,0.0,
+CSC1=N/C(=C\c2ccccc2F)C(=O)S1,0,0.0,
+CSC1=NC(NCCCO)c2c(sc3c2CC(C)(C)OC3)N1,0,0.0,
+CSC1=NC2(CCCCC2)C2=C(CCCC2)N1,0,0.0,
+CSC1=NCCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1,0,0.0,
+CSC1=NCCN1C(=O)C(C)Oc1ccccc1,0,0.0,
+CSC1=NCCN1C(=O)COc1ccc2ccccc2c1,0,0.0,
+CSC1=NCCN1C(=O)COc1ccccc1,0,0.0,
+CSC1=NCCN1C(=O)Cc1ccc(Cl)cc1,0,0.0,
+CSC1=NCCN1C(=O)Cc1ccc(F)cc1,0,0.0,
+CSC1=NCCN1C(=O)Cc1cccs1,0,0.0,
+CSC1=NCCN1C(=O)c1c(-c2ccccc2Cl)noc1C,0,0.0,
+CSC1=NCCN1C(=O)c1c(F)cccc1Cl,0,0.0,
+CSC1=NCCN1C(=O)c1c(F)cccc1F,1,100.0,0.0
+CSC1=NCCN1C(=O)c1ccc(Br)o1,0,0.0,
+CSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+CSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+CSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+CSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CSC1=NCCN1C(=O)c1ccc2c(c1)OCO2,0,0.0,
+CSC1=NCCN1C(=O)c1cccc(Br)c1,0,0.0,
+CSC1=NCCN1C(=O)c1cccc(C(F)(F)F)c1,0,0.0,
+CSC1=NCCN1C(=O)c1ccccc1F,0,0.0,
+CSC1=NCCN1C(=O)c1ccco1,0,0.0,
+CSC1=NCCN1C(=O)c1cccs1,0,0.0,
+CSC1=NP(=S)(SC)N(C)c2nc3n(c21)CCC3,0,0.0,
+CSC1=NP(=S)(SC)N2CCCC2=C1C#N,0,0.0,
+CSC1=Nc2sc3c(c2C2=NCCN12)CC(C)(C)OC3,1,100.0,0.0
+CSC1=Nc2sc3c(c2C2=NCCN12)CCCC3,1,100.0,
+CSC1CCCCC1(O)CSc1nc2c(cc1C#N)CCCC2,0,0.0,
+CSC1CCCCC1(O)CSc1nc2ccccc2o1,0,0.0,
+CSCCC(/C(O)=C(\C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CSCCC(=O)Nc1ccc(C(C)=O)cc1,0,0.0,
+CSCCC(C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O,0,0.0,
+CSCCC(C(=O)O)N1C(=O)c2ccc(C(=O)O)cc2C1=O,0,0.0,
+CSCCC(CO)NC(=O)OCc1ccccc1,0,0.0,
+CSCCC(N=CC1=C(O)CC(C)(C)CC1=O)C(=O)O,0,0.0,
+CSCCC(N=Cc1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O)C(=O)O,0,0.0,
+CSCCC(NC(=O)C1CC1)c1nc2ccccc2[nH]1,0,0.0,
+CSCCC(NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+CSCCC(NC(=O)C1CCC(C)CC1)C(=O)NCCN1CCOCC1,0,0.0,
+CSCCC(NC(=O)C1CCC(C)CC1)C(=O)NCc1ccco1,0,0.0,
+CSCCC(NC(=O)C1CCC(C)CC1)C(=O)O,0,0.0,
+CSCCC(NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)O,0,0.0,
+CSCCC(NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+CSCCC(NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(N)=O,0,0.0,
+CSCCC(NC(=O)c1c(C)oc2c1CCCC2)C(=O)O,0,0.0,
+CSCCC(NC(=O)c1cc(C(C)(C)C)oc1C)C(=O)O,0,0.0,
+CSCCC(NC(=O)c1cc(CC(C)C)oc1C)C(=O)O,0,0.0,
+CSCCC(NC(=O)c1ccc(=O)n(C)n1)c1nc2ccccc2[nH]1,0,0.0,
+CSCCC(NC(=O)c1ccc(C)o1)C(=O)O,0,0.0,
+CSCCC(NC(=O)c1ccccc1)C(=O)NC1CCCC1,0,0.0,
+CSCCC(NC(=O)c1ccccc1)C(=O)NCc1ccco1,0,0.0,
+CSCCC(NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1,0,0.0,
+CSCCC(NC(=O)c1ccco1)C(=O)O,0,0.0,
+CSCCC(NC(=O)c1ccco1)C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1,0,0.0,
+CSCCC(NC(=O)c1ccco1)C(=O)OCC(=O)Nc1sccc1C#N,0,0.0,
+CSCCC(NC(=O)c1cncc(Br)c1)C(=O)O,0,0.0,
+CSCCC(NC(=O)c1occc1C)C(=O)O,0,0.0,
+CSCCC(NC(N)=O)C(=O)N(C)CC(=O)Nc1ccc(C)cc1,0,0.0,
+CSCCC(NC(N)=O)C(=O)NCc1ccccc1Cl,0,0.0,
+CSCCC(NC=C1C(=O)OC(C)(C)OC1=O)C(=O)O,0,0.0,
+CSCCC(NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCC(C)CC1,0,0.0,
+CSCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N1CCOCC1,0,0.0,
+CSCCC(NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCCc1ccccn1,0,0.0,
+CSCCC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCC(C)CC1,0,0.0,
+CSCCC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCCCC1,0,0.0,
+CSCCC(NS(=O)(=O)c1cccs1)C(=O)NCc1cccs1,0,0.0,
+CSCCC(Nc1nc2ccccc2s1)C(=O)O,0,0.0,
+CSCCC(Nc1ncnc2ccc(Br)cc12)C(=O)O,0,0.0,
+CSCCC1(C(=O)O)NC(c2ccccc2O)C2C(=O)N(C(C)C)C(=O)C21,0,0.0,
+CSCCC1C(C#N)=C(N)Oc2n[nH]c(-c3cccs3)c21,0,0.0,
+CSCCC1NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O,0,0.0,
+CSCCC1NC(=O)NC1=O,0,0.0,
+CSCCC1NC2(C(=O)Nc3c(C)cc(Cl)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12,0,0.0,
+CSCCC1NC2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12,0,0.0,
+CSCCC1NC2(C(=O)Nc3c2ccc(Cl)c3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12,0,0.0,
+CSCCC1NC2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12,0,0.0,
+CSCCNC(=O)c1ccc(C(C)(C)C)cc1,0,0.0,
+CSCCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1Cl,0,0.0,
+CSCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,0,0.0,
+CSCC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1Cc2ccccc2C1=O,0,0.0,
+CSCC[C@@H](C(=O)O)N1Cc2ccccc2C1=O,0,0.0,
+CSCC[C@@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O,0,0.0,
+CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)NCC1CCCO1,0,0.0,
+CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)NCc1ccco1,0,0.0,
+CSCC[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O,0,0.0,
+CSCC[C@H](NC(=O)NCCC1=CCCCC1)C(=O)O,0,0.0,
+CSCC[C@H](NC(=O)NCCc1ccc(F)cc1)C(=O)O,0,0.0,
+CSCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)O,0,0.0,
+CSCC[C@H](NC(=O)NCc1ccccc1F)C(=O)O,0,0.0,
+CSCC[C@H](NC(=O)NCc1cccs1)C(=O)O,0,0.0,
+CSCC[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)O,0,0.0,
+CSCC[C@H](NC(=O)Nc1ccc(C)cc1C)C(=O)O,0,0.0,
+CSCC[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O,0,0.0,
+CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)O)CC1,0,0.0,
+CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)C(C)C)CC1,0,0.0,
+CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1,0,0.0,
+CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2c(C)cccc2C)o1,1,100.0,
+CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1,0,0.0,
+CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(N)=O)o1,0,0.0,
+CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC=C(C)C)o1,0,0.0,
+CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(F)cc2)o1,0,0.0,
+CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1,0,0.0,
+CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1,0,0.0,
+CSCCc1nc(SCC(=O)Nc2nnc(C)s2)[nH]c1C,0,0.0,
+CSCSC1=C(C#N)C(c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1,0,0.0,
+CSCSC1=C(C#N)C(c2ccccc2Cl)C(C(C)=O)=C(C)N1,0,0.0,
+CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1,0,0.0,
+CSc1[nH]c(=O)c(C(=O)O)cc1C#N,0,0.0,
+CSc1c(C#N)c(N)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+CSc1c(CC(=O)NCCO)n(C)c2ccccc12,0,0.0,
+CSc1c[n+]2c(n1C)CCC2,0,0.0,
+CSc1cc(/C=N/O)c(SC)s1,0,0.0,
+CSc1cc(C)nc(N(C)C(C)=O)n1,0,0.0,
+CSc1cc(C)nc(NC(C)=O)n1,0,0.0,
+CSc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1,0,0.0,
+CSc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)cc1,0,0.0,
+CSc1ccc(-c2cc(=O)c3ccccc3o2)cc1,0,0.0,
+CSc1ccc(-c2nc(CSCC(=O)N3CCOCC3)c(C)o2)cc1,0,0.0,
+CSc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1,0,0.0,
+CSc1ccc(-c2nnn(Cc3ccc(C)cc3)n2)cc1,1,100.0,0.0
+CSc1ccc(-c2nnn(Cc3ccccn3)n2)cc1,0,0.0,
+CSc1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1,0,0.0,
+CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1,0,0.0,
+CSc1ccc(C(=S)N2CCN(CCO)CC2)cc1,0,0.0,
+CSc1ccc(C(C(C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1,1,100.0,0.0
+CSc1ccc(C2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1,0,0.0,
+CSc1ccc(C2C(C#N)=C(N)Oc3c2ccc(=O)c2c(C)oc(C)c32)cc1,0,0.0,
+CSc1ccc(C2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1,0,0.0,
+CSc1ccc(C2C3(C#N)C(N)=NC4(OCCO4)C23C#N)cc1,0,0.0,
+CSc1ccc(C2NC(=O)c3c(sc4c3CCN(C)C4)N2)cc1,0,0.0,
+CSc1ccc(C2Nc3ccccc3-c3cc(C)nn32)cc1,0,0.0,
+CSc1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1,0,0.0,
+CSc1ccc(CN2CCC(O)CC2)cc1,0,0.0,
+CSc1ccc(CNC2CN3CCC2CC3)cc1,0,0.0,
+CSc1ccc(CNc2ccccn2)cc1,0,0.0,
+CSc1ccc(Cl)c(C(=O)NCC(C)C)c1,0,0.0,
+CSc1ccc(Cl)c(C(=O)NCc2ccco2)c1,0,0.0,
+CSc1ccc(Cl)c(C(=O)OCC(=O)N2CC(C)OC(C)C2)c1,0,0.0,
+CSc1ccc(Cl)c(C(=O)OCC(=O)N2CCOCC2)c1,0,0.0,
+CSc1ccc(Cl)c(C(=O)OCC(=O)NCc2ccco2)c1,0,0.0,
+CSc1ccc(Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1,0,0.0,
+CSc1ccc(N2C(=O)NC3(CCCCC3)C2=O)cc1,0,0.0,
+CSc1ccc(NC(=O)CC(C)=O)cc1,0,0.0,
+CSc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1,0,0.0,
+CSc1ccc(NC(=O)NCCCN2CCN(c3ccccc3F)CC2)cc1,0,0.0,
+CSc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+CSc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,1,100.0,0.0
+CSc1ccc(S(=O)(=O)NC2CCCCCC2)cc1,0,0.0,
+CSc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1,0,0.0,
+CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1,0,0.0,
+CSc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1,0,0.0,
+CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1,0,0.0,
+CSc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1,0,0.0,
+CSc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1,0,0.0,
+CSc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1,0,0.0,
+CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+CSc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1,0,0.0,
+CSc1ccc2[nH]c(=O)cc(C)c2c1,0,0.0,
+CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,1,100.0,
+CSc1ccc2nnc(-c3cccc(F)c3)n2n1,0,0.0,
+CSc1cccc(-n2c(C)cc(C(N)=O)c2C)c1,0,0.0,
+CSc1cccc(-n2cc(-c3ccc4c(c3)OCO4)[nH]c2=O)c1,0,0.0,
+CSc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1,0,0.0,
+CSc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,0,0.0,
+CSc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1,0,0.0,
+CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1,0,0.0,
+CSc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1,0,0.0,
+CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1,0,0.0,
+CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1,0,0.0,
+CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1,0,0.0,
+CSc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1,0,0.0,
+CSc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1,1,100.0,
+CSc1cccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1,0,0.0,
+CSc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1,0,0.0,
+CSc1cccc(NC(=O)COc2ccccc2)c1,0,0.0,
+CSc1cccc(NC(=O)CSc2ccccc2)c1,0,0.0,
+CSc1cccc(NC(=O)CSc2nc3ccccc3o2)c1,1,100.0,0.0
+CSc1cccc(NC(=O)CSc2nnc(C)s2)c1,0,0.0,
+CSc1cccc(NC(=O)Cn2cccc2)c1,0,0.0,
+CSc1cccc(NC(=O)Nc2ccccc2)c1,0,0.0,
+CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1,0,0.0,
+CSc1cccc(NC(=O)c2ccco2)c1,0,0.0,
+CSc1cccc(NC(=O)c2nnn(Cc3ccccc3)c2N)c1,0,0.0,
+CSc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1,0,0.0,
+CSc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1,0,0.0,
+CSc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+CSc1cccc(NS(=O)(=O)c2ccccc2)c1,0,0.0,
+CSc1cccc(NS(=O)(=O)c2cccs2)c1,0,0.0,
+CSc1ccccc1-n1nnnc1SCC(=O)NCc1cccs1,0,0.0,
+CSc1ccccc1-n1nnnc1SCc1ccccc1,0,0.0,
+CSc1ccccc1C(=O)N1CCOCC1,0,0.0,
+CSc1ccccc1C(=O)NC1CC2CCC1C2,0,0.0,
+CSc1ccccc1C(=O)NCCSC(C)(C)C,0,0.0,
+CSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+CSc1ccccc1C(=O)Nc1cccc(C(C)O)c1,0,0.0,
+CSc1ccccc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1,0,0.0,
+CSc1ccccc1N=CC1=C(O)CC(C)(C)CC1=O,0,0.0,
+CSc1ccccc1N=Cc1nc(-c2ccccc2)oc1O,0,0.0,
+CSc1ccccc1NC(=O)C1CC(c2ccccc2O)=NO1,0,0.0,
+CSc1ccccc1NC(=O)C1CCCO1,0,0.0,
+CSc1ccccc1NC(=O)CCn1c(=O)sc2ccccc21,0,0.0,
+CSc1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O,0,0.0,
+CSc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O,0,0.0,
+CSc1ccccc1NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O,0,0.0,
+CSc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C,0,0.0,
+CSc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1SC,0,0.0,
+CSc1ccccc1NC(=O)Cn1c(-c2cscn2)nc2ccccc21,0,0.0,
+CSc1ccccc1NC(=O)c1c(Br)cnn1C,0,0.0,
+CSc1ccccc1NC(=O)c1c(C)noc1C,0,0.0,
+CSc1ccccc1NC(=O)c1cc(-c2cccs2)on1,0,0.0,
+CSc1ccccc1NC(=O)c1cc(CC(C)C)on1,0,0.0,
+CSc1ccccc1NC(=O)c1ccc(C)o1,0,0.0,
+CSc1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,0,0.0,
+CSc1ccccc1NC(=O)c1cccnc1,0,0.0,
+CSc1ccccc1NC(=O)c1ccco1,0,0.0,
+CSc1ccccc1NC(=O)c1cccs1,0,0.0,
+CSc1ccccc1NC(=O)c1ccncc1,0,0.0,
+CSc1ccccc1NC(=O)c1ccoc1C,0,0.0,
+CSc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2,0,0.0,
+CSc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O,0,0.0,
+CSc1ccccc1NC(=O)c1cnccn1,0,0.0,
+CSc1ccccc1NC(=O)c1noc2c1CCC2,0,0.0,
+CSc1ccccc1NC(=O)c1onc(C)c1Cl,0,0.0,
+CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,0,0.0,
+CSc1ccccc1NS(=O)(=O)c1ccccc1,0,0.0,
+CSc1ccn(CCC(=O)O)c(=O)n1,0,0.0,
+CSc1ccn(Cc2ccc(Cl)cc2)c(=O)n1,0,0.0,
+CSc1cnn(-c2ccccc2)c(=O)c1SC,0,0.0,
+CSc1n[nH]c(NC2=CC(=O)CCC2)n1,0,0.0,
+CSc1n[nH]c(NCc2ccccc2)n1,0,0.0,
+CSc1n[nH]c(NCc2cccs2)n1,0,0.0,
+CSc1nc(-c2ccccc2)ccc1C(N)=O,0,0.0,
+CSc1nc(-c2ccccc2)nc(N2CCCC2)c1C(C)=O,0,0.0,
+CSc1nc(-c2ccccc2)nc(N2CCN(C)CC2)c1C(C)=O,0,0.0,
+CSc1nc(-c2ccccc2)nc(SC)c1C(C)=O,0,0.0,
+CSc1nc(-c2ccccc2)nc2[nH]ccc(=O)c12,0,0.0,
+CSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2,0,0.0,
+CSc1nc(-c2ccccc2O)nc(-c2ccccc2O)n1,0,0.0,
+CSc1nc(-c2ccco2)cc(-c2ccccc2)c1C#N,0,0.0,
+CSc1nc(-c2ccco2)nn1C(=O)Cc1ccccc1,0,0.0,
+CSc1nc(-c2ccco2)nn1C(=O)c1ccc(C)cc1,0,0.0,
+CSc1nc(-c2ccco2)nn1C(=O)c1ccco1,0,0.0,
+CSc1nc(-c2ccco2)nn1C(=O)c1cccs1,0,0.0,
+CSc1nc(-c2ccco2)nn1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CSc1nc(-c2ccco2)nn1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+CSc1nc(-c2ccco2)nn1S(=O)(=O)c1ccccc1,0,0.0,
+CSc1nc(-c2ccco2)nn1S(C)(=O)=O,0,0.0,
+CSc1nc(=NC(C)=O)ss1,0,0.0,
+CSc1nc(=O)n(-c2ccccc2)c(C)c1C(C)=O,0,0.0,
+CSc1nc(C)c(C(=O)Nc2ccccc2)c(C)c1C#N,0,0.0,
+CSc1nc(C)c(Cl)c(C)c1C#N,0,0.0,
+CSc1nc(C)c(Oc2ccccc2)c(=O)n1C,0,0.0,
+CSc1nc(C)c2c(c1C#N)CCCC2,0,0.0,
+CSc1nc(C)c2c(n1)OC(CN1C(=O)c3ccccc3C1=O)C2,0,0.0,
+CSc1nc(C)c2cc(C)oc2n1,0,0.0,
+CSc1nc(C)cc(-n2cc(F)c(=O)[nH]c2=O)n1,0,0.0,
+CSc1nc(C)cc(-n2ccc(=O)[nH]c2=O)n1,1,100.0,
+CSc1nc(C)cc(NC(N)=O)n1,0,0.0,
+CSc1nc(C)cc(OCC#N)n1,0,0.0,
+CSc1nc(C)cc(OCC(=O)N2CCOCC2)n1,0,0.0,
+CSc1nc(C)cc(OCC(=O)n2nc(C)cc2C)n1,0,0.0,
+CSc1nc(C)cc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1,0,0.0,
+CSc1nc(C)cc(OCNC(=O)c2cccs2)n1,0,0.0,
+CSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1,0,0.0,
+CSc1nc(C)cc(SCCO)n1,0,0.0,
+CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+CSc1nc(C2CC2)cc(-c2cccs2)c1C#N,0,0.0,
+CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4,1,100.0,0.0
+CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N,0,0.0,
+CSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N,0,0.0,
+CSc1nc(N)nc(SC2C=CCCC2)c1C#N,0,0.0,
+CSc1nc(N)nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c1C#N,0,0.0,
+CSc1nc(N)nc(SCC(=O)CC(=O)OC(C)C)c1C#N,0,0.0,
+CSc1nc(N)nc(SCC(=O)OC(C)C)c1C#N,0,0.0,
+CSc1nc(N)nc(SCC(=O)c2ccc(C)cc2)c1C#N,0,0.0,
+CSc1nc(N)nc(SCC(=O)c2ccccc2)c1C#N,0,0.0,
+CSc1nc(N)nc(SCCS(=O)(=O)c2ccc(Cl)cc2)c1C#N,0,0.0,
+CSc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2,0,0.0,
+CSc1nc(N2CCN(CCO)CC2)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4,0,0.0,
+CSc1nc(N2CCOCC2)c2c(c1C#N)CCCCC2,0,0.0,
+CSc1nc(N2CCOCC2)c2c3c(sc2n1)CCC3,0,0.0,
+CSc1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3,0,0.0,
+CSc1nc(N2CCOCC2)c2ccccc2n1,0,0.0,
+CSc1nc(NC(C)(C)C)nc(N2CCOCC2)n1,0,0.0,
+CSc1nc(NC(C)(C)C)nc(Oc2ccc(=O)[nH]n2)n1,0,0.0,
+CSc1nc(NC(C)=O)nc(C)c1Cl,0,0.0,
+CSc1nc(NC(C)C)nc(N2CCOCC2)n1,0,0.0,
+CSc1nc(NCC(C)C)nc(N2CCOCC2)n1,0,0.0,
+CSc1nc(NCCOCCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4,0,0.0,
+CSc1nc(NCc2ccco2)c2c3c(sc2n1)CN(C)CC3,1,100.0,0.0
+CSc1nc(O)c(C2OC(=O)c3ccccc32)c(=O)[nH]1,0,0.0,
+CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1,0,0.0,
+CSc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1,0,0.0,
+CSc1nc(SC)c2c3c(oc2n1)COC(C)(C)C3,0,0.0,
+CSc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)CN(C)CC3,0,0.0,
+CSc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3,0,0.0,
+CSc1nc(SCC(N)=O)c2c3c(sc2n1)CN(C)CC3,1,100.0,1.0
+CSc1nc2[nH]c3c(c2c2ncnn12)CCCC3,0,0.0,
+CSc1nc2[nH]c3c(c2c2nncn12)CC(C)(C)OC3,0,0.0,
+CSc1nc2[nH]c3c(c2c2nnnn12)CCCC3,0,0.0,
+CSc1nc2c(c(=O)[nH]1)C(c1cccs1)C1=C(CCCC1=O)N2,0,0.0,
+CSc1nc2c(c(=O)[nH]1)C(c1ccncc1)C(C(=O)OC(C)C)=C(C)N2,0,0.0,
+CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl,0,0.0,
+CSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2,0,0.0,
+CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2,0,0.0,
+CSc1nc2c(c(=O)n1-c1ccccc1)SCC2,0,0.0,
+CSc1nc2c(c(=O)n1C)SC(C)C2,0,0.0,
+CSc1nc2c(c(=O)n1Cc1ccccc1)SC(C)C2,0,0.0,
+CSc1nc2c(ccc3ccccc32)o1,0,0.0,
+CSc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[nH]1,0,0.0,
+CSc1nc2cc(Cl)ccc2s1,0,0.0,
+CSc1nc2cc(F)c(F)cc2n1C,0,0.0,
+CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2s1,0,0.0,
+CSc1nc2ccc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)cc2s1,0,0.0,
+CSc1nc2ccc(NC(=O)C3CCCO3)cc2s1,0,0.0,
+CSc1nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2s1,0,0.0,
+CSc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1,0,0.0,
+CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1,0,0.0,
+CSc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1,1,100.0,1.0
+CSc1nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2s1,0,0.0,
+CSc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1,0,0.0,
+CSc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2s1,1,100.0,
+CSc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1,0,0.0,
+CSc1nc2ccccc2c(=O)n1N,0,0.0,
+CSc1nc2ccccc2n1C(=O)NC1CCCCC1,1,100.0,0.0
+CSc1nc2ccccc2n1C(=O)Oc1ccccc1,0,0.0,
+CSc1nc2ccccc2n1CC(=O)N1CCCCC1,0,0.0,
+CSc1nc2ccccc2n1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+CSc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(C)c1,0,0.0,
+CSc1nc2ccccc2n1CC(=O)Nc1ccccc1,0,0.0,
+CSc1nc2ccccc2n1Cc1cccc(F)c1,0,0.0,
+CSc1nc2n(n1)C(c1cc(Br)ccc1F)C(C(=O)N(C)C)=C(C)N2,1,100.0,
+CSc1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1,0,0.0,
+CSc1nc2nc(C)cc(-c3ccccc3)n2n1,0,0.0,
+CSc1nc2nc3c(c(=O)n2[nH]1)CN(Cc1ccccc1)CC3,0,0.0,
+CSc1nc2oc3c(c2c2nncn12)CC(C)(C)SC3,0,0.0,
+CSc1nc2sc3c(c2c(=O)[nH]1)CCC(C)C3,0,0.0,
+CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3,0,0.0,
+CSc1nc2sc3c(c2c(=O)n1C)CCC(C)C3,0,0.0,
+CSc1nc2sc3c(c2c(=O)n1C)CCCC3,0,0.0,
+CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3,1,100.0,1.0
+CSc1nc2sc3c(c2c2nncn12)CCC3,0,0.0,
+CSc1nc2sc3c(c2c2nnnn12)CC(C)(C)OC3,0,0.0,
+CSc1nc2sc3c(c2c2nnnn12)CCC3,0,0.0,
+CSc1nc2sc3c(c2c2nnnn12)CCCC3,0,0.0,
+CSc1ncc(C(=O)O)n1-c1ccc(F)cc1,0,0.0,
+CSc1ncc(Cl)c(C(=O)C(C#N)c2nc3c(C)cc(C)cc3c(=O)[nH]2)n1,0,0.0,
+CSc1ncc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)n1,0,0.0,
+CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1,0,0.0,
+CSc1ncc(Cl)c(C(=O)Nc2nnc(SC)s2)n1,0,0.0,
+CSc1nccc(Nc2ccccc2)c1C#N,0,0.0,
+CSc1ncccc1C(=O)OCC(=O)N(CC(C)C)C1CCS(=O)(=O)C1,0,0.0,
+CSc1ncccc1C(=O)OCC(=O)N1CCOCC1,0,0.0,
+CSc1ncccc1C(=O)OCC(=O)NC(=O)NCCC(C)C,0,0.0,
+CSc1ncccc1C(=O)OCC(=O)NC1CCS(=O)(=O)C1,0,0.0,
+CSc1ncccc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+CSc1ncccc1C(=O)OCC(=O)c1cc2ccccc2o1,0,0.0,
+CSc1ncccc1C(=O)OCc1ccccc1,0,0.0,
+CSc1ncccc1C(=O)OCc1ccccc1F,0,0.0,
+CSc1ncccc1C(=O)OCn1nnc2ccccc2c1=O,0,0.0,
+CSc1nccn1CC(=O)Nc1ccc(F)cc1,0,0.0,
+CSc1nn(CCc2ccncc2)c(=S)s1,0,0.0,
+CSc1nnc(-c2cc3ccccc3cc2O)n1C,0,0.0,
+CSc1nnc(-c2ccc(F)cc2)o1,0,0.0,
+CSc1nnc(-c2ccc(NC(=O)CCc3ccccc3)cc2)n1C,0,0.0,
+CSc1nnc(-c2ccc(O)cc2)n1C,0,0.0,
+CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C,0,0.0,
+CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CC1CCCO1,0,0.0,
+CSc1nnc(-c2ccccc2)c(=O)[nH]1,0,0.0,
+CSc1nnc(-c2ccccc2)n1C,0,0.0,
+CSc1nnc(-c2ccccc2)n1N,0,0.0,
+CSc1nnc(-c2ccccc2)o1,0,0.0,
+CSc1nnc(-c2ccccc2Cl)n1N,0,0.0,
+CSc1nnc(-c2ccco2)c(-c2ccco2)n1,0,0.0,
+CSc1nnc(-c2ccco2)n1-c1ccccc1,0,0.0,
+CSc1nnc(-c2cccs2)n1-c1ccccc1,0,0.0,
+CSc1nnc(-c2ccncc2)n1CCCN1CCCC1=O,0,0.0,
+CSc1nnc(-c2cnccn2)n1C,0,0.0,
+CSc1nnc(-c2cnccn2)n1CCCN1CCCC1=O,0,0.0,
+CSc1nnc(-c2cnccn2)n1Cc1ccccc1,0,0.0,
+CSc1nnc(-c2nnc(SC)n2-c2ccccc2)n1-c1ccccc1,0,0.0,
+CSc1nnc(-c2sc3cc(Cl)ccc3c2Cl)n1C,0,0.0,
+CSc1nnc(C)c(=O)[nH]1,0,0.0,
+CSc1nnc(C2CCCN2)n1C,0,0.0,
+CSc1nnc(C2CCNCC2)n1C,0,0.0,
+CSc1nnc(CNC(=O)c2ccccc2)n1-c1ccc(F)cc1,0,0.0,
+CSc1nnc(CNC(=O)c2ccccc2)n1-c1cccc(C)c1,0,0.0,
+CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C,0,0.0,
+CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(C)c1,0,0.0,
+CSc1nnc(Cc2ccc3c(c2)OCO3)o1,0,0.0,
+CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1,0,0.0,
+CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1,0,0.0,
+CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C,0,0.0,
+CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,0,0.0,
+CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1,0,0.0,
+CSc1nnc(N(CCC#N)CCC#N)s1,0,0.0,
+CSc1nnc(NC(=O)C2CCCCC2)s1,0,0.0,
+CSc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1,0,0.0,
+CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1,0,0.0,
+CSc1nnc([C@@H](N)Cc2ccccc2)o1,0,0.0,
+CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1,0,0.0,
+CSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1,0,0.0,
+CSc1nnc2c(n1)OC(C)=Nc1ccccc1-2,0,0.0,
+CSc1nnc2c(n1)OC(C)N(C(=O)c1ccccc1)c1ccccc1-2,0,0.0,
+CSc1nnc2c(n1)OC(C1CC=C(C)CC1)Nc1ccccc1-2,0,0.0,
+CSc1nnc2c(n1)OC(c1ccc(C(=O)O)cc1)N(C(C)=O)c1ccccc1-2,0,0.0,
+CSc1nnc2c(n1)OC(c1cccn1C)N(C(C)=O)c1ccccc1-2,1,100.0,1.0
+CSc1nnc2c(n1)OC(c1ccsc1)N(C(C)=O)c1ccccc1-2,1,100.0,1.0
+CSc1nnc2c(n1)OC(c1cn(C)c3ccccc13)N(C(C)=O)c1ccccc1-2,0,0.0,
+CSc1nnc2c(n1)OC=Nc1ccccc1-2,0,0.0,
+CSc1nnc2c(n1)[nH]c1c(C)cccc12,0,0.0,
+CSc1nnc2c3c4c(sc3c(=O)n(-c3ccccc3)n12)CC(C)(C)OC4,0,0.0,
+CSc1nnc2c3c4c(sc3nc(-n3nc(C)cc3C)n12)COC(C)(C)C4,0,0.0,
+CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1,0,0.0,
+CSc1nnc2c3cc(F)ccc3n(Cc3ccccc3)c2n1,0,0.0,
+CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1,0,0.0,
+CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1,0,0.0,
+CSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)COC(C(C)C)C4,0,0.0,
+CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC4,0,0.0,
+CSc1nnc2n(C)c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3,0,0.0,
+CSc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCCC4,0,0.0,
+CSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,0,0.0,
+CSc1nncc(-c2ccc(F)c(F)c2)n1,0,0.0,
+CSc1nncc(-c2ccc(F)cc2)n1,1,100.0,
+CSc1nncc(=O)[nH]1,0,0.0,
+CSc1nncn1/N=C/c1cc(Cl)ccc1F,0,0.0,
+CSc1nnnn1-c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1,0,0.0,
+CSc1nnnn1-c1cccc(O)c1,0,0.0,
+CSc1nnnn1CCn1nnnc1SC,0,0.0,
+CSc1nsc(NC(=O)Cc2ccccc2)n1,0,0.0,
+CSc1nsc(SC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C,0,0.0,
+CSc1nsc(SC)c1C(=O)NCCNS(=O)(=O)c1ccc(C)cc1,0,0.0,
+CSc1nsc(SC)c1C(=O)OCC(F)(F)F,0,0.0,
+CSc1nsc(SC)c1NC(=O)OC1CCCCC1,0,0.0,
+CSc1nsc(SC)c1NC(=O)OCCc1ccccn1,0,0.0,
+CSc1nsc(SCC(=O)N2CCCc3ccccc32)n1,0,0.0,
+CSc1nsc(SCC(=O)N2CCc3ccccc32)n1,0,0.0,
+CSc1nsc(SCC(=O)NC2CCCCC2)n1,0,0.0,
+CSc1nsc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1,0,0.0,
+CSc1nsc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1,0,0.0,
+CSc1nsc(SCC(=O)Nc2cccc(C(C)=O)c2)n1,0,0.0,
+CSc1nsc(SCC(=O)Nc2ccccn2)n1,0,0.0,
+CSc1nsc(SCC(=O)Oc2ccc(NC(C)=O)cc2)n1,0,0.0,
+CSc1nsc(SCCN2C(=O)c3ccccc3C2=O)n1,1,100.0,
+CSc1nsc(SCc2ccc(F)cc2)n1,0,0.0,
+CSc1nsc(SCc2cnc(C)nc2N)n1,0,0.0,
+CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1,0,0.0,
+CSc1oc(-c2ccccc2)nc1C(N)=O,0,0.0,
+CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1,0,0.0,
+CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1,0,0.0,
+CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1,0,0.0,
+CSc1sc(C(=O)O)c2c1C(=O)CCC2,0,0.0,
+CSc1sc(C)cc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2,0,0.0,
+CSc1sc(C)cc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2,0,0.0,
+CSc1snc(SCC(N)=O)c1C#N,0,0.0,
+C[C@@H](NC(=O)c1coc(=O)c(Br)c1)c1ccccc1,0,0.0,
+C[C@@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O,0,0.0,
+C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,0,0.0,
+C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccnc1,0,0.0,
+C[C@@H]1C[C@H](O)c2cc(Cl)ccc2N1,0,0.0,
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,0,0.0,
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,0,0.0,
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,0,0.0,
+C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,0,0.0,
+C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO,0,0.0,
+C[C@H](C(=O)C=[N+]=[N-])N1C(=O)c2ccccc2C1=O,0,0.0,
+C[C@H](C(=O)O)c1n[nH]c(=O)c2ccccc12,0,0.0,
+C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,0,0.0,
+C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,0,0.0,
+C[C@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1,0,0.0,
+C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)O,0,0.0,
+C[C@H](NC(=O)NCCc1ccccc1)C(=O)O,0,0.0,
+C[C@H](NC(=O)NCc1cccs1)C(=O)O,0,0.0,
+C[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O,0,0.0,
+C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O,0,0.0,
+C[C@H](NC(=O)Nc1ccccc1F)C(=O)O,0,0.0,
+C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)O)CC1,0,0.0,
+C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1,0,0.0,
+C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1,0,0.0,
+C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(N)=O)o1,0,0.0,
+C[C@H]1CCC/C=C/C2C[C@H](O)CC2[C@H](O)/C=C/C(=O)O1,0,0.0,
+C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1,0,0.0,
+C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1,0,0.0,
+C[C@H]1CCC[C@@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1,0,0.0,
+C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1,1,100.0,
+C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12,0,0.0,
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,0,0.0,
+C[C@H]1OC[C@@H](C[N+](C)(C)C)O1,1,100.0,
+C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,0,0.0,
+C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,0,0.0,
+C[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@]2(O)CC#N,0,0.0,
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,0,0.0,
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,0,0.0,
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0,0.0,
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,0,0.0,
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,0,0.0,
+C[C@]12CC[C@@H]3c4ccc(O)cc4C(=O)C[C@H]3[C@@H]1CC[C@@H]2O,0,0.0,
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,0,0.0,
+C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O,0,0.0,
+C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,0,0.0,
+C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O,0,0.0,
+C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,0,0.0,
+C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,0,0.0,
+C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,0,0.0,
+C[N+](C)(C)C/C=C1/COCO1,1,100.0,
+C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,0,0.0,
+C[N+](C)(C)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2,0,0.0,
+C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO,0,0.0,
+C[N+]1(C)CCN(c2ccccc2)CC1,0,0.0,
+C[N+]1(C)CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3,0,0.0,
+C[N+]1(C)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12,1,100.0,1.0
+C[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2,1,100.0,1.0
+C[N+]1(CCN2C(=O)C3CC=C(Cl)CC3C2=O)CCOCC1,0,0.0,
+C[N+]1(CCNC(=O)/C=N/O)CCCCC1,0,0.0,
+C[N+]1(CCOS(=O)C23CC4CC(CC(C4)C2)C3)CCOCC1,0,0.0,
+C[N+]12CCC(CC1)C(C#N)(N1CCOCC1)C2,0,0.0,
+C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2,1,100.0,1.0
+C[N+]12CN3CN(CN(C3)C1)C2,0,0.0,
+C[N+]1=C2CCCCCN2C(O)(c2ccccc2)C1,0,0.0,
+C[n+]1ccc(-c2ccncc2)cc1,0,0.0,
+C[n+]1cccc(CNC(=O)/C=N/O)c1,0,0.0,
+C[n+]1cnn2c1SCC1(COC1)C2,0,0.0,
+Cc1[nH]c(-c2ccco2)nc1C(=O)O,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cccs1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1NS(=O)(=O)c1ccc2c(c1)CCCC2,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(C)Cc1ccccc1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)N2CCC(Cc3ccccc3)CC2)C1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccc3Cl)CC2)C1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1c2ccc(F)cc2CCC1C,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC(=O)Nc1ccccn1,0,0.0,
+Cc1[nH]c(=O)[nH]c1CN1CCCCC1,0,0.0,
+Cc1[nH]c(=O)c(C#N)c(C)c1Br,0,0.0,
+Cc1[nH]c(=O)cc2ccccc12,0,0.0,
+Cc1[nH]c(=S)[nH]c(=O)c1CCOc1ccccc1,0,0.0,
+Cc1[nH]c(=S)[nH]c(=O)c1Cc1ccccc1,0,0.0,
+Cc1[nH]c(=S)n(CC2CCCO2)c1C,0,0.0,
+Cc1[nH]c(C(=O)N2CCCCC2)c(C)c1C(=O)NC1CCCCC1,0,0.0,
+Cc1[nH]c(C)c(C(=O)O)c1CNC1CCCCC1C,0,0.0,
+Cc1[nH]c(C)c2c(=O)n(-c3ccccc3)ncc12,0,0.0,
+Cc1[nH]c2c(C(F)(F)F)cccc2c1CCN,0,0.0,
+Cc1[nH]c2c(C)cccc2c(=O)c1Br,0,0.0,
+Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCCC1,0,0.0,
+Cc1[nH]c2c(Cl)cccc2c1CCN,1,100.0,0.0
+Cc1[nH]c2ccc(-c3n[nH]c(=S)n3C)cc2c1C,0,0.0,
+Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCCc5ccccc54)o3)cc2c1C,0,0.0,
+Cc1[nH]c2ccc(-c3nnc(SCC(=O)NCc4ccco4)n3Cc3ccccc3)cc2c1C,0,0.0,
+Cc1[nH]c2ccc(-c3nnc(SCC(=O)c4ccc(F)cc4)o3)cc2c1C,0,0.0,
+Cc1[nH]c2ccc(-c3nnc(SCC(=O)c4ccccc4F)o3)cc2c1C,0,0.0,
+Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCCCC1,0,0.0,
+Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCOCC1,0,0.0,
+Cc1[nH]c2ccc(C(=O)OCCN(C)C)cc2c1C,0,0.0,
+Cc1[nH]c2ccc(CNS(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2c1C,0,0.0,
+Cc1[nH]c2ccc(F)cc2c(=O)c1SC(F)(F)C(F)C(F)(F)F,0,0.0,
+Cc1[nH]c2ccc(F)cc2c(=O)c1SC(F)(F)C(F)F,0,0.0,
+Cc1[nH]c2ccc3c(ncn3CCC#N)c2c1C,0,0.0,
+Cc1[nH]c2ccccc2c(=O)c1CN(C)Cc1ccccc1,0,0.0,
+Cc1[nH]c2ccccc2c(=O)c1CN1CCCCC1,0,0.0,
+Cc1[nH]c2ccccc2c1-c1nc2ccccc2[nH]1,0,0.0,
+Cc1[nH]c2ccccc2c1/C=N/O,0,0.0,
+Cc1[nH]c2ccccc2c1/C=N/n1cnnc1,0,0.0,
+Cc1[nH]c2ccccc2c1C(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1,0,0.0,
+Cc1[nH]c2ccccc2c1C(=O)CN1CCCC1,0,0.0,
+Cc1[nH]c2ccccc2c1C(=O)CN1CCCCC1C,0,0.0,
+Cc1[nH]c2ccccc2c1C(=O)CN1CCCCC1CCO,0,0.0,
+Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C2CCCCC2)CC1,0,0.0,
+Cc1[nH]c2ccccc2c1C(=O)CN1CCSCC1,0,0.0,
+Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1CC(=O)N(Cc2ccco2)C1,0,0.0,
+Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1CCC(=O)N1,0,0.0,
+Cc1[nH]c2ccccc2c1C(=O)CSCC(=O)O,0,0.0,
+Cc1[nH]c2ccccc2c1C(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1,0,0.0,
+Cc1[nH]c2ccccc2c1C(=O)CSc1ncn[nH]1,0,0.0,
+Cc1[nH]c2ccccc2c1C(O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+Cc1[nH]c2ccccc2c1C(c1ccccn1)N1CCC(C(N)=O)CC1,0,0.0,
+Cc1[nH]c2ccccc2c1C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,0,0.0,
+Cc1[nH]c2ccccc2c1C1=CCNCC1,0,0.0,
+Cc1[nH]c2ccccc2c1C1=CN2CCS(=O)(=O)N=C2S1,0,0.0,
+Cc1[nH]c2ccccc2c1CC(=O)O,0,0.0,
+Cc1[nH]c2ccccc2c1CCC(N)=O,0,0.0,
+Cc1[nH]c2ccccc2c1CCO,0,0.0,
+Cc1[nH]c2ccccc2c1Cc1nnc(SCC(=O)NCc2ccco2)o1,0,0.0,
+Cc1[nH]c2ccccc2c1Cc1nnc(SCC(N)=O)o1,0,0.0,
+Cc1[nH]c2ccccc2c1SCC(=O)N1CCOCC1,0,0.0,
+Cc1[nH]c2ccccc2c1SCCN,0,0.0,
+Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(Br)o1,0,0.0,
+Cc1[nH]cnc1CSCCN,0,0.0,
+Cc1[nH]n(-c2ccccc2)c(=O)c1-c1ccccc1,0,0.0,
+Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/O,0,0.0,
+Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccccn1,0,0.0,
+Cc1[nH]n(-c2ccccc2)c(=O)c1S(=O)(=O)c1ccccc1,0,0.0,
+Cc1[nH]n(C(C)(C)C)c(=O)c1Sc1ccc(Cl)cc1,0,0.0,
+Cc1[nH]n(C(C)(C)C)c(=O)c1Sc1ccccc1,0,0.0,
+Cc1[nH]n(C(N)=S)c(=O)c1C(c1ccccc1)C(C#N)C#N,0,0.0,
+Cc1[nH]n(CCC#N)c(=O)c1CC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+Cc1[nH]n2c(=O)c(C#N)c(-c3ccccc3)nc2c1-c1ccccc1,0,0.0,
+Cc1[nH]n2c(=O)c3c(nc2c1-c1ccc(Cl)cc1)CCC3,0,0.0,
+Cc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CCC3,0,0.0,
+Cc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CCCC3,0,0.0,
+Cc1[nH]n2c(=O)cc(C(C)(C)C)nc2c1-c1ccccc1,0,0.0,
+Cc1[nH]n2c(=O)cc(C(C)C)nc2c1-c1ccccc1,0,0.0,
+Cc1[nH]n2c(=O)cc(Cc3ccccc3)nc2c1C#N,0,0.0,
+Cc1[nH]nc(-c2ccc(O)c(C)c2O)c1-c1cnn(-c2ccccc2)c1,0,0.0,
+Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc(Cl)cc1,0,0.0,
+Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1ccccc1,0,0.0,
+Cc1[nH]nc(N=CC2=C(O)CC(C)(C)CC2=O)c1-c1ccc(Cl)cc1,0,0.0,
+Cc1[nH]nc(N=CC2=C(O)CC(C)(C)CC2=O)c1-c1ccccc1,0,0.0,
+Cc1[nH]nc(N=CC2=C(O)CC(c3ccco3)CC2=O)c1-c1ccccc1,0,0.0,
+Cc1[nH]nc(N=Cc2c(O)n(C)c(=O)n(C)c2=O)c1-c1ccccc1,0,0.0,
+Cc1[nH]nc2c1-c1nc3ccccc3nc1C(C)(C)C2,0,0.0,
+Cc1[nH]nc2c1/C(=N\O)CC(C)(C)C2,0,0.0,
+Cc1[nH]nc2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1[nH]nc2c1C(=O)CCC2,0,0.0,
+Cc1[nH]nc2c1C(C(C)C)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C(C1CC=CCC1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C(CCc1ccccc1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C(c1ccc(-c3ccccc3C#N)o1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C(c1ccc(Cl)cc1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C(c1ccc(F)cc1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C(c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2,0,0.0,
+Cc1[nH]nc2c1C(c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C(c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2,0,0.0,
+Cc1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C(c1ccccc1)C1=C(CC(C)(C)CC1=O)N2,0,0.0,
+Cc1[nH]nc2c1C(c1ccccc1F)CC(=O)N2,0,0.0,
+Cc1[nH]nc2c1C(c1ccccc1F)NC2=O,0,0.0,
+Cc1[nH]nc2c1C(c1ccccn1)N(c1ccc(Br)cc1)C2=O,0,0.0,
+Cc1[nH]nc2c1C(c1cccnc1)N(c1ccc(Br)cc1)C2=O,0,0.0,
+Cc1[nH]nc2c1C(c1ccoc1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C(c1cn[nH]c1-c1ccc(F)cc1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C1(CCC(c3ccccc3)CC1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C1(CCC3(CC1)OCCO3)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C1(CCN(C(=O)OCc3ccccc3)CC1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C1(CCN(Cc3ccccc3)CC1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2c1C1(CCOCC1)C(C#N)=C(N)O2,0,0.0,
+Cc1[nH]nc2cn[nH]c12,0,0.0,
+Cc1[nH]nc2nc(SCC(=O)NCC3CCCO3)n(-c3ccc(Br)cc3)c(=N)c12,0,0.0,
+Cc1[nH]nc2nc3c(c(OC(=O)c4ccccc4)c12)c(=O)n(C)c(=O)n3C,0,0.0,
+Cc1[nH]nc2ncc(C(=O)c3ccccc3O)cc12,0,0.0,
+Cc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1ccco1,0,0.0,
+Cc1c(-c2ccccc2)[n+](=O)c(-c2ccco2)c(C)n1[O-],0,0.0,
+Cc1c(-c2ccccc2)c(P(=O)(N2CCOCC2)N2CCOCC2)c2ccccn12,0,0.0,
+Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccco1,0,0.0,
+Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O,0,0.0,
+Cc1c(-c2ccccc2)oc2nc3c(c(=O)n(C)c(=O)n3C)n12,0,0.0,
+Cc1c(-c2ccccc2)sc(N)c1C(=O)N1CCOCC1,0,0.0,
+Cc1c(-c2ccco2)[n+](=O)c2c(n1[O-])CCC2,0,0.0,
+Cc1c(-c2ccco2)[n+](=O)c2c(n1[O-])CCCCC2,0,0.0,
+Cc1c(-c2cccs2)[n+](=O)c2c(n1[O-])CCC2,0,0.0,
+Cc1c(-c2cccs2)[n+](=O)c2c(n1[O-])CCCC2,0,0.0,
+Cc1c(-c2cccs2)[n+](=O)c2c(n1[O-])CCCCC2,0,0.0,
+Cc1c(-c2nc(N)nc(Nc3ccc(F)cc3)n2)oc2ccccc12,0,0.0,
+Cc1c(-c2nc(N)nc(Nc3ccccc3)n2)oc2ccccc12,0,0.0,
+Cc1c(-c2nc(N)nc(Nc3ccccc3F)n2)oc2ccccc12,0,0.0,
+Cc1c(-c2nn(C)c(=O)c3ccccc23)oc2ccc(F)cc2c1=O,0,0.0,
+Cc1c(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C,1,100.0,
+Cc1c(-n2c(SCC(=O)O)nnc2-c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCCC4)c(F)c32)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(-n2cc(C(=O)c3ccccc3O)cc(C#N)c2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccncc2)cnn1-c1ccccc1,0,0.0,
+Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)cnn1-c1ccccc1,0,0.0,
+Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccco2)cnn1-c1ccccc1,0,0.0,
+Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccs2)cnn1-c1ccccc1,0,0.0,
+Cc1c(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2cccs2)cnn1-c1ccccc1,0,0.0,
+Cc1c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2ccccc2)cnn1-c1ccccc1,0,0.0,
+Cc1c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2ccncc2)cnn1-c1ccccc1,0,0.0,
+Cc1c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccnc2)cnn1-c1ccccc1,0,0.0,
+Cc1c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccs2)cnn1-c1ccccc1,0,0.0,
+Cc1c(/C=N/n2cnnc2)c2ccccc2n1C,0,0.0,
+Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1,0,0.0,
+Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccccc1,0,0.0,
+Cc1c(/N=C/c2ccco2)n(Cc2ccccc2)c2ccccc12,0,0.0,
+Cc1c(=O)n(OCc2c(F)cccc2F)c2ccccc2[n+]1[O-],0,0.0,
+Cc1c(=O)n(OCc2ccccc2)c2ccccc2[n+]1[O-],0,0.0,
+Cc1c(=O)n(OCc2ccccc2F)c2ccccc2[n+]1[O-],0,0.0,
+Cc1c(=O)n(OCc2ccccn2)c2ccccc2[n+]1[O-],0,0.0,
+Cc1c(Br)c(=O)[nH]c(=O)n1COCc1ccccc1,0,0.0,
+Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1,0,0.0,
+Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NCCN1CCOCC1,0,0.0,
+Cc1c(Br)cc(-c2nnco2)cc1Br,0,0.0,
+Cc1c(Br)cc(C(=O)N2CCCC2)c(C)c1C,0,0.0,
+Cc1c(Br)cc(C(=O)N2CCN(CCO)CC2)c(C)c1C,0,0.0,
+Cc1c(Br)cc(C(=O)NCCCN2CCOCC2)c(C)c1C,0,0.0,
+Cc1c(Br)cc(C(=O)NCc2ccco2)c(C)c1C,0,0.0,
+Cc1c(Br)cc(C(=O)O)c(C)c1C,0,0.0,
+Cc1c(Br)cc(C(=O)OC2CCN(C)CC2)c(C)c1C,0,0.0,
+Cc1c(C#N)c(N)c(C(=O)c2ccccc2)n1Cc1ccccc1,0,0.0,
+Cc1c(C#N)c(N=CN(C)C)c(C(=O)c2ccccc2)n1-c1ccccc1,0,0.0,
+Cc1c(C#N)c(SCC(N)=O)nc2c1CCCC2,1,100.0,0.0
+Cc1c(C#N)c2ccccc2n1CC(=O)N1CCCC1,0,0.0,
+Cc1c(C#N)c2ccccc2n1CC(=O)N1CCc2ccccc2C1,0,0.0,
+Cc1c(C#N)c2ccccc2n1CC(=O)NCC1CCCO1,0,0.0,
+Cc1c(C#N)c2ccccc2n1CC(=O)NCCc1c[nH]c2ccccc12,0,0.0,
+Cc1c(C#N)c2ccccc2n1CC(=O)NCc1cccnc1,0,0.0,
+Cc1c(C#N)c2ccccc2n1CC(=O)O,0,0.0,
+Cc1c(C#N)c2ccccc2n1CCOc1ccccc1F,0,0.0,
+Cc1c(C#N)c2ncn(CCCN(C)C)c(=O)c2n1-c1ccccc1,0,0.0,
+Cc1c(C#N)c2ncn(Cc3ccccc3)c(=O)c2n1-c1ccccc1,0,0.0,
+Cc1c(C#N)c2ncnc(-c3ccccc3)c2n1-c1ccccc1,0,0.0,
+Cc1c(C#N)c2ncnc(N)c2n1-c1ccccc1,0,0.0,
+Cc1c(C#N)sc2nc(-c3ccccc3)nc(N3CCCC3)c12,0,0.0,
+Cc1c(C(=O)CN2CCOCC2)[nH]c2ccccc12,0,0.0,
+Cc1c(C(=O)COC(C)(C)C)[nH]c2ccccc12,0,0.0,
+Cc1c(C(=O)N(C)Cc2ccccc2)oc2ccc(S(=O)(=O)N3CCCC3)cc12,1,100.0,0.0
+Cc1c(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)N2CC(C)OC(C)C2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)N2CC(C)OC(C)C2)sc2nc(-c3ccc(F)cc3)cn12,0,0.0,
+Cc1c(C(=O)N2CC(C)OC(C)C2)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)N2CCC(C(N)=O)CC2)sc(N)c1C#N,0,0.0,
+Cc1c(C(=O)N2CCC3(CC2)OCCO3)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,0,0.0,
+Cc1c(C(=O)N2CCC3(CC2)OCCO3)oc2ccccc12,1,100.0,0.0
+Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2ncnc(N(C)c3ccccc3)c12,0,0.0,
+Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2ncnc(N3CCN(c4ccccn4)CC3)c12,0,0.0,
+Cc1c(C(=O)N2CCCC2)nnn1-c1nonc1N,0,0.0,
+Cc1c(C(=O)N2CCCC2)oc2c1-c1[nH]ncc1CC2,0,0.0,
+Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2cccs2)c1C#N,0,0.0,
+Cc1c(C(=O)N2CCCCC2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,0,0.0,
+Cc1c(C(=O)N2CCCCC2)sc(N)c1C#N,0,0.0,
+Cc1c(C(=O)N2CCCCC2)sc(NC(=O)C(C)C)c1C#N,0,0.0,
+Cc1c(C(=O)N2CCCCC2)sc(NC(=O)C2CC2)c1C#N,0,0.0,
+Cc1c(C(=O)N2CCCCCC2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)N2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,1,100.0,0.0
+Cc1c(C(=O)N2CCCc3ccccc32)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)sc2nc(-c3ccc(F)cc3)cn12,0,0.0,
+Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1c(C(=O)N2CCN(CCc3ccccc3)CC2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncnc(N3CCOCC3)c12,0,0.0,
+Cc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12,0,0.0,
+Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncn(CC(=O)N3CCOCC3)c(=O)c12,0,0.0,
+Cc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)N2CCN(c3ncccn3)CC2)sc2nc3n(c(=O)c12)CCCC3,0,0.0,
+Cc1c(C(=O)N2CCOCC2)[nH]c2c1C(=O)CC(c1ccc(Cl)cc1)C2,0,0.0,
+Cc1c(C(=O)N2CCOCC2)[nH]c2c1C(=O)CC(c1ccccc1Cl)C2,0,0.0,
+Cc1c(C(=O)N2CCOCC2)[nH]c2ccc(OCc3ccccc3)cc12,0,0.0,
+Cc1c(C(=O)N2CCOCC2)oc2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1c(C(=O)N2CCOCC2)oc2ccc(S(=O)(=O)N3CCCC3)cc12,0,0.0,
+Cc1c(C(=O)N2CCOCC2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12,0,0.0,
+Cc1c(C(=O)N2CCOCC2)sc(NC(=O)c2ccc3c(c2)OCO3)c1C#N,0,0.0,
+Cc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)N2CCOCC2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12,0,0.0,
+Cc1c(C(=O)N2CCOCC2)sc2ncnc(N3CCc4ccccc4C3)c12,0,0.0,
+Cc1c(C(=O)N2CCc3ccccc32)oc2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1c(C(=O)N2CCc3ccccc3C2)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)NC(C)C)oc2c1-c1[nH]ncc1CC2,0,0.0,
+Cc1c(C(=O)NC(C)CN2CCCCC2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)NC(C)c2ccncc2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)NC2=NCCS2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)NC2CC2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12,0,0.0,
+Cc1c(C(=O)NC2CCCCC2)oc2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1c(C(=O)NC2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,0,0.0,
+Cc1c(C(=O)NCC(C)C)sc2nc(-c3ccc(F)cc3)cn12,0,0.0,
+Cc1c(C(=O)NCC2CCCO2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,0,0.0,
+Cc1c(C(=O)NCC2CCCO2)oc2ccc(S(=O)(=O)N3CCCC3)cc12,0,0.0,
+Cc1c(C(=O)NCC2CCCO2)oc2ccc(S(=O)(=O)N3CCCCC3)cc12,0,0.0,
+Cc1c(C(=O)NCC2CCCO2)oc2ccc3c(c12)C(=O)CC(C)(C)O3,0,0.0,
+Cc1c(C(=O)NCC2CCCO2)sc2nc(-c3ccc(F)cc3)cn12,0,0.0,
+Cc1c(C(=O)NCC2CCCO2)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)NCC2COc3ccccc3O2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,1,100.0,
+Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,0,0.0,
+Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,1,100.0,
+Cc1c(C(=O)NCCCN2CCCC2=O)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,0,0.0,
+Cc1c(C(=O)NCCCN2CCCC2=O)oc2ccccc12,0,0.0,
+Cc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12,0,0.0,
+Cc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12,0,0.0,
+Cc1c(C(=O)NCCN2CCOCC2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12,0,0.0,
+Cc1c(C(=O)NCCN2CCOCC2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)NCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12,0,0.0,
+Cc1c(C(=O)NCCc2ccccc2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,0,0.0,
+Cc1c(C(=O)NCCc2ccccc2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,0,0.0,
+Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(S(=O)(=O)N3CCCC3)cc12,0,0.0,
+Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(S(=O)(=O)N3CCCCC3)cc12,0,0.0,
+Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12,0,0.0,
+Cc1c(C(=O)NCc2ccc3c(c2)OCO3)sc2nc(-c3ccc(F)cc3)cn12,0,0.0,
+Cc1c(C(=O)NCc2ccc3c(c2)OCO3)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)NCc2ccccc2)oc2c1C(=O)CCC2,0,0.0,
+Cc1c(C(=O)NCc2ccccc2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,0,0.0,
+Cc1c(C(=O)NCc2ccccc2)oc2ccc(S(=O)(=O)N3CCCC3)cc12,0,0.0,
+Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=O)CCC2,0,0.0,
+Cc1c(C(=O)NCc2ccccn2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,0,0.0,
+Cc1c(C(=O)NCc2ccccn2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)NCc2ccccn2)sc2nc(-c3ccc(F)cc3)cn12,0,0.0,
+Cc1c(C(=O)NCc2ccccn2)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)NCc2cccnc2)oc2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1c(C(=O)NCc2cccnc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,0,0.0,
+Cc1c(C(=O)NCc2cccnc2)oc2ccc(S(=O)(=O)N3CCCC(C)C3)cc12,0,0.0,
+Cc1c(C(=O)NCc2cccnc2)oc2ccc(S(=O)(=O)N3CCCCC3)cc12,0,0.0,
+Cc1c(C(=O)NCc2cccnc2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12,1,100.0,0.0
+Cc1c(C(=O)NCc2cccnc2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)NCc2cccnc2)sc2nc(-c3ccc(F)cc3)cn12,0,0.0,
+Cc1c(C(=O)NCc2cccnc2)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)NCc2cccnc2)sc2ncn(CC(=O)N3CCCCC3C)c(=O)c12,0,0.0,
+Cc1c(C(=O)NCc2ccco2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,0,0.0,
+Cc1c(C(=O)NCc2ccco2)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)NCc2cccs2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,0,0.0,
+Cc1c(C(=O)NCc2cccs2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)NCc2ccoc2)oc2ccc3c(c12)C(=O)CC(C)(C)O3,0,0.0,
+Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)oc2ccccc12,0,0.0,
+Cc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)Nc2ccc(C(=O)O)cc2)cnn1C,0,0.0,
+Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,0,0.0,
+Cc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(S(=O)(=O)N3CCCC3)cc12,0,0.0,
+Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,0,0.0,
+Cc1c(C(=O)Nc2cccc(Cl)c2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,0,0.0,
+Cc1c(C(=O)Nc2cccc3cccnc23)oc2ccccc12,0,0.0,
+Cc1c(C(=O)Nc2ccccc2)oc2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)Nc2ccccc2Cl)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,1,100.0,
+Cc1c(C(=O)Nc2ccccc2N2CCOCC2)sc2nc3n(c(=O)c12)CCC3,0,0.0,
+Cc1c(C(=O)Nc2ccccn2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)Nc2ccncc2)oc2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1c(C(=O)Nc2ccncc2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccc(F)cc3)cn12,0,0.0,
+Cc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(=O)Nc2cnccn2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)Nc2nnc(C(F)(F)F)s2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)Nn2cnnc2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)O)[nH]c2c1C(=O)CC(c1ccc(Cl)cc1)C2,0,0.0,
+Cc1c(C(=O)O)[nH]c2c1C(=O)CC(c1ccccc1)C2,0,0.0,
+Cc1c(C(=O)O)c(-c2ccccc2)nn1-c1ccccc1,0,0.0,
+Cc1c(C(=O)O)c(=S)sn1CCOc1ccccc1,0,0.0,
+Cc1c(C(=O)O)c2cc(O)ccc2n1-c1ccccc1,0,0.0,
+Cc1c(C(=O)O)cnc2cc(-c3ccc(Cl)cc3)nn12,0,0.0,
+Cc1c(C(=O)O)nn(-c2ccccc2)c(=O)c1C#N,0,0.0,
+Cc1c(C(=O)O)nnn1-c1ccccc1,0,0.0,
+Cc1c(C(=O)O)oc2c1C(O)CC(C)(C)C2,0,0.0,
+Cc1c(C(=O)O)oc2c1C(O)CCC2,0,0.0,
+Cc1c(C(=O)O)oc2c1ccc1ccccc12,0,0.0,
+Cc1c(C(=O)O)oc2c3c(ccc12)OCCO3,0,0.0,
+Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc12,0,0.0,
+Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,1,100.0,
+Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12,0,0.0,
+Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CCCCC3C(=O)O)cc12,0,0.0,
+Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc12,0,0.0,
+Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCCC3=CCCCC3)cc12,0,0.0,
+Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc12,0,0.0,
+Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc12,0,0.0,
+Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccccc3)cc12,0,0.0,
+Cc1c(C(=O)O)sc(=S)n1-c1ccccc1,0,0.0,
+Cc1c(C(=O)O)sc(=S)n1CCOc1ccccc1,0,0.0,
+Cc1c(C(=O)O)sc2nc(C)n(C)c(=O)c12,0,0.0,
+Cc1c(C(=O)O)sc2nc3n(c(=O)c12)CCC(C)CC3,0,0.0,
+Cc1c(C(=O)O)sc2ncn(C)c(=O)c12,0,0.0,
+Cc1c(C(=O)O)sc2ncnc(N3CCCCC3C)c12,0,0.0,
+Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)CCC2,0,0.0,
+Cc1c(C(=O)OC(C)CCN(C)C)oc2ccccc12,1,100.0,1.0
+Cc1c(C(=O)OC2CCC(C)CC2)[nH]c2c1C(=O)CCC2,0,0.0,
+Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)CC(c1ccco1)C2,0,0.0,
+Cc1c(C(=O)OC2CCCC2C)[nH]c2c1C(=O)CCC2,0,0.0,
+Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1c(C(=O)OC2CCCCC2)sc2nc[nH]c(=O)c12,0,0.0,
+Cc1c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)oc2c1ccc1ccccc12,0,0.0,
+Cc1c(C(=O)OCC(=O)N2CC(C)OC(C)C2)oc2ccc(Br)cc12,0,0.0,
+Cc1c(C(=O)OCC(=O)N2c3ccccc3CC2C)oc2ccccc12,0,0.0,
+Cc1c(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)oc2ccccc12,0,0.0,
+Cc1c(C(=O)OCC(C)(C)CN(C)C)oc2ccccc12,1,100.0,1.0
+Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)CC(c1ccco1)C2,0,0.0,
+Cc1c(C(=O)OCC2CCCO2)[nH]c2c1C(=O)CC(c1ccc(N(C)C)cc1)C2,0,0.0,
+Cc1c(C(=O)OCC2CCCO2)[nH]c2c1C(=O)CC(c1ccco1)C2,0,0.0,
+Cc1c(C(=O)OCCN2CCCCC2)oc2ccccc12,1,100.0,1.0
+Cc1c(C(=O)OCCOC(C)C)[nH]c2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1c(C(=O)OCCOC(C)C)[nH]c2c1C(=O)CC(c1ccco1)C2,1,100.0,
+Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)CCC2,0,0.0,
+Cc1c(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)oc2ccccc12,0,0.0,
+Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)CC(c1ccco1)C2,0,0.0,
+Cc1c(C(=O)OCc2ccccc2)nnn1-c1nonc1N,0,0.0,
+Cc1c(C(=O)c2no[n+]([O-])c2C(=O)c2cnn(C)c2C)cnn1C,0,0.0,
+Cc1c(C(C)NC(=O)Nc2ccc(F)cc2F)cnn1C,0,0.0,
+Cc1c(C(C)O)nnn1-c1nonc1N,0,0.0,
+Cc1c(C(N)=O)c(N)c(C(=O)c2ccccc2)n1-c1ccccc1,0,0.0,
+Cc1c(C(N)=O)sc(N)c1C(=O)OC(C)C,0,0.0,
+Cc1c(C(N)=O)sc2nc(-c3ccccc3)cn12,0,0.0,
+Cc1c(C(Nc2ccccn2)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(C(Nc2ccccn2)c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(C(O)CN2CCC(C(N)=O)CC2)c2ccccc2n1C,0,0.0,
+Cc1c(C(O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2n1C,0,0.0,
+Cc1c(C)[n+](=O)c(-c2ccc(F)cc2)c(C)n1[O-],0,0.0,
+Cc1c(C)[n+](=O)c(-c2ccco2)c(C)n1[O-],0,0.0,
+Cc1c(C)[n+](=O)c(-c2cccs2)c(C)n1[O-],0,0.0,
+Cc1c(C)[n+](=O)c2c(n1[O-])CCC2,0,0.0,
+Cc1c(C)[n+](=O)c2c(n1[O-])CCCCC2,0,0.0,
+Cc1c(C)c2c(C)[nH]nc2oc1=O,0,0.0,
+Cc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O,0,0.0,
+Cc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O,0,0.0,
+Cc1c(C)c2cc(Cl)c(O)c(CN3CCCC(C)C3)c2oc1=O,0,0.0,
+Cc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O,0,0.0,
+Cc1c(C)c2cc(Cl)c(O)c(CN3CCN(C)CC3)c2oc1=O,0,0.0,
+Cc1c(C)c2cc(Cl)c(OCc3nn[nH]n3)cc2oc1=O,0,0.0,
+Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4,1,100.0,0.0
+Cc1c(C)c2ccc(OC3CCCCC3=O)cc2oc1=O,0,0.0,
+Cc1c(C)c2ccc(OCC(=O)N(C)C)c(C)c2oc1=O,0,0.0,
+Cc1c(C)c2ccc(OCc3ccc(C(=O)O)o3)c(C)c2oc1=O,0,0.0,
+Cc1c(C)n(C(=O)CN2CCC(C(N)=O)CC2)c2ccccc12,0,0.0,
+Cc1c(C)n(C(=O)CN2CCN(c3ccccn3)CC2)c2ccccc12,0,0.0,
+Cc1c(C)n(C(=O)CSc2nccn2C)c2ccccc12,0,0.0,
+Cc1c(C)n(C(=O)CSc2ncn[nH]2)c2ccccc12,0,0.0,
+Cc1c(C)n(C(=O)CSc2nncn2C)c2ccccc12,0,0.0,
+Cc1c(C)n(C)c2ccc(C(=O)NCc3cccs3)cc12,0,0.0,
+Cc1c(C)n(CC(O)CN2CCCCCC2)c2ccccc12,0,0.0,
+Cc1c(C)n(CC(O)CN2CCOCC2)c2ccccc12,0,0.0,
+Cc1c(C)n(Cc2ccccc2)c2ncnc(N)c12,0,0.0,
+Cc1c(C2(O)C(=O)Nc3ccc(F)cc32)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(C2CC(=O)N(c3ccccc3)C2=O)[nH]n(-c2ccccc2)c1=O,0,0.0,
+Cc1c(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc2n1C,0,0.0,
+Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,0,0.0,
+Cc1c(C2OC(=O)C3(CCCCC3)C(=O)C2(C)C)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(C=NCCOCc2ccccc2)cnn1C,0,0.0,
+Cc1c(CCC#N)c(N2CCCCC2)n2c(nc3ccccc32)c1C#N,0,0.0,
+Cc1c(CCC#N)c(N2CCN(C3CCCCC3)CC2)n2c(nc3ccccc32)c1C#N,0,0.0,
+Cc1c(CCC(=O)O)c(=O)oc2cc(O)ccc12,0,0.0,
+Cc1c(CCC(=O)O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12,0,0.0,
+Cc1c(CN(C)C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cnn1C,0,0.0,
+Cc1c(CN(C)C)c2c(n1C)C(=O)c1ccc(Br)cc1-2,0,0.0,
+Cc1c(CN2CCC(C)CC2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(CN2CCCCC2)c(O)n(CCCO)c(=O)c1C#N,0,0.0,
+Cc1c(CN2CCCCC2C)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)n(-c2ccccc2)n1C,1,100.0,1.0
+Cc1c(CNC(=O)c2cnn3c2NC(c2ccc(Br)cc2)CC3C(F)(F)F)cnn1C,0,0.0,
+Cc1c(CNC(=O)c2cnn3c2NC(c2ccccc2)CC3C(F)(F)F)cnn1C,0,0.0,
+Cc1c(CNC(=O)c2nn3c(c2Cl)NC(c2ccccc2)CC3C(F)(F)F)cnn1C,0,0.0,
+Cc1c(CNCc2cccs2)c(C(=O)O)c(C)n1Cc1ccccc1,0,0.0,
+Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCc3nn[nH]n3)ccc12,0,0.0,
+Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C)c(O)c(Cl)cc12,0,0.0,
+Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3nn[nH]n3)ccc12,0,0.0,
+Cc1c(Cc2ccccc2)sc(N)c1C(N)=O,0,0.0,
+Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCSCC1,0,0.0,
+Cc1c(Cl)ccc2c1NC(=O)C21NC(CCC(N)=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21,1,100.0,
+Cc1c(Cl)ccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21,0,0.0,
+Cc1c(Cl)cccc1-n1ccnc1SCC(=O)O,0,0.0,
+Cc1c(Cl)cccc1-n1nnnc1-c1cccs1,0,0.0,
+Cc1c(Cl)cccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O,0,0.0,
+Cc1c(Cl)cccc1N(CC(=O)O)S(C)(=O)=O,0,0.0,
+Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)C(c3cccnc3)C2C1=O,1,100.0,0.0
+Cc1c(Cl)cccc1N1C(=O)CC(N(O)c2ccccc2)C1=O,0,0.0,
+Cc1c(Cl)cccc1N1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1c(Cl)cccc1N1CC(C(=O)Nc2nccs2)CC1=O,0,0.0,
+Cc1c(Cl)cccc1NC(=O)CC(C(=O)O)C1CCCO1,0,0.0,
+Cc1c(Cl)cccc1NC(=O)CC(NCCN1CCOCC1)C(=O)O,0,0.0,
+Cc1c(Cl)cccc1NC(=O)CCCCCN1C(=O)CCC1=O,0,0.0,
+Cc1c(Cl)cccc1NC(=O)CCN1CCCC(C)C1,0,0.0,
+Cc1c(Cl)cccc1NC(=O)CCN1CCCCC1,0,0.0,
+Cc1c(Cl)cccc1NC(=O)CCN1CCCCCC1,0,0.0,
+Cc1c(Cl)cccc1NC(=O)CN1C(=O)CSc2ncccc21,0,0.0,
+Cc1c(Cl)cccc1NC(=O)CN1CCN(CCO)CC1,0,0.0,
+Cc1c(Cl)cccc1NC(=O)CSCC(N)=O,0,0.0,
+Cc1c(Cl)cccc1NC(=O)CSCc1cc(=O)[nH][nH]1,0,0.0,
+Cc1c(Cl)cccc1NC(=O)CSc1nnc(C)n1-c1ccccc1,0,0.0,
+Cc1c(Cl)cccc1NC(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1,0,0.0,
+Cc1c(Cl)cccc1NC(=O)Cn1cccc1,0,0.0,
+Cc1c(Cl)cccc1NC(=O)NC1CCCCC1,0,0.0,
+Cc1c(Cl)cccc1NC(=O)c1cc(C2CC2)on1,0,0.0,
+Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,0,0.0,
+Cc1c(Cl)cccc1Nc1nc(N)nc(CSCCO)n1,0,0.0,
+Cc1c(Cl)cccc1Nc1nc(N)nc(CSc2ncccn2)n1,0,0.0,
+Cc1c(Cl)cnc(NC(=O)COC(=O)C(NC(=O)c2ccco2)C(C)C)c1Cl,0,0.0,
+Cc1c(F)cccc1NC(=O)CCC(=O)O,0,0.0,
+Cc1c(F)cccc1NS(=O)(=O)c1ccccc1C#N,0,0.0,
+Cc1c(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)c(=O)n(-c2ccccc2)n1C,1,100.0,0.0
+Cc1c(N(C(=O)c2cc(=O)[nH]c3ccccc23)C(C)C)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N(C)C(=O)C2CCCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N(C)C(=O)c2ccccc2F)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N(C)C(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N(C)C)nc2ccccc2c1N,1,100.0,0.0
+Cc1c(N/C=C/C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N2C(=O)C(C)SC23C(=O)Nc2ccccc23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N2C(=O)CSC23C(=O)Nc2ccccc23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N2C(=O)SC(CC(=O)O)C2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=C/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C,1,100.0,1.0
+Cc1c(N=C/C=C/c2ccccc2)cnn1C,0,0.0,
+Cc1c(N=C/C=C2\N(C)c3ccccc3C2(C)C)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=C2C(=O)Nc3ccccc32)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=C2NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=C2NC(=O)C(CC(=O)Nc3ccccc3)S2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=C2Nc3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=CN2CCOCC2)c(=O)n(C)c(=O)n1C,0,0.0,
+Cc1c(N=Cc2c(O)n(C3CCCCC3)c(=O)[nH]c2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=Cc2c(O)n(CCc3ccc(F)cc3)c(=O)[nH]c2=O)c(=O)n(-c2ccccc2)n1C,1,100.0,1.0
+Cc1c(N=Cc2c(O)n(CCc3ccccc3)c(=O)[nH]c2=O)c(=O)n(-c2ccccc2)n1C,1,100.0,1.0
+Cc1c(N=Cc2c(O)n(Cc3ccco3)c(=O)[nH]c2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=Cc2c(O)n(Cc3ccco3)c(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C,1,100.0,
+Cc1c(N=Cc2cc3c(cc2Cl)OCO3)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=Cc2ccc(-c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=Cc2ccc[nH]2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=Cc2cccs2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=Cc2ccncc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=Cc2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=Cc2nc3ccccc3n2C)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C(C#N)=C2CCCCC2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C(C)N2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C(C)N2CC(C)OC(C)C2)c(=O)n(-c2ccccc2)n1C,1,100.0,
+Cc1c(NC(=O)C(C)OC(=O)C(NC(=O)c2ccco2)C(C)C)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C(C)OC(=O)CC2Sc3ccccc3NC2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C(C)OC(=O)COc2cccc3c2OC(C)(C)C3)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C(C)OC(=O)c2cc3c4ccccc4n(C)c3s2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C(C)Oc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C(C)Sc2nc3ccccc3c(=O)n2CCO)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C(C)Sc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C(CC(=O)O)NCc2ccco2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C2(C)CCCCC2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C2(c3ccccc3)CCOCC2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C23CC4CC(CC(C)(C4)C2)C3)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C2CC=CCC2C(=O)O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C2CCCN2C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C2CCCNC2=O)c(=O)n(-c2ccccc2)n1C,1,100.0,
+Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CC2CC(C)OC2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CCC(=O)N2CCCCC2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CCC2CCCCC2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CCCCCN2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CN2C(=O)c3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CN2CC(C)OC(C)C2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CN2CCCc3ccccc32)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)COC(=O)C2CC3C=CC2C3)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)COC(=O)c2cc3c4ccccc4n(C)c3s2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)COc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSC2=C(C#N)C(c3ccccc3F)CC(=O)N2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSc2ccc3c(c2)OCCO3)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSc2ccccc2C(=O)Nc2cccnc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSc2ccccn2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSc2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSc2nc3ccccc3n2C)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSc2nnc3sc4ccccc4n23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSc2nncc3ccccc23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)CSc2nnnn2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cccc1-c1nc2ccccc2o1,0,0.0,
+Cc1c(NC(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C,1,100.0,
+Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)N2CCCCCC2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)NC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)NC(C)N2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)NCc2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)Nc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)Nc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)Nc2ccccc2Cl)sc(=S)n1C,0,0.0,
+Cc1c(NC(=O)OCCNC(=O)Nc2ccccc2)sc(=S)n1C,0,0.0,
+Cc1c(NC(=O)OCCSc2nc(N(C)C)nc(N(C)C)n2)sc(=S)n1C,0,0.0,
+Cc1c(NC(=O)OCc2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)Oc2ccccc2)sc(=S)n1C,0,0.0,
+Cc1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2c(F)cccc2F)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2cc(-c3ccccc3)on2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2cc(-c3ccco3)on2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2cc(-c3cccs3)on2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cccc1-c1nc2ccccc2o1,0,0.0,
+Cc1c(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2cc(C(C)C)on2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2ccc(=O)oc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2ccc(Br)o2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2ccc(N3C(=O)C4C5C=CC(C5)C4C3=O)cc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2ccc3c(c2)OCO3)cccc1-c1nc2ccccc2o1,0,0.0,
+Cc1c(NC(=O)c2ccc3c(c2)OCO3)cccc1-c1nc2ncccc2o1,0,0.0,
+Cc1c(NC(=O)c2cccc(F)c2)c(=O)n(-c2ccccc2)n1C,1,100.0,
+Cc1c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cccc1C(=O)O,0,0.0,
+Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2ccccc2F)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2ccccc2N)cccc1C(=O)O,0,0.0,
+Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2ccco2)cccc1-c1nc2cccnc2s1,0,0.0,
+Cc1c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2cnn3c2NC(c2ccco2)CC3C(F)(F)F)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2cnn3cccnc23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2coc(=O)c(Br)c2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2nn(C)c(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC(=O)c2noc3c2CCc2ccccc2-3)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C,1,100.0,1.0
+Cc1c(NC2=NC3(CCCCC3)Cc3ccccc32)c(=O)n(-c2ccccc2)n1C,1,100.0,1.0
+Cc1c(NCc2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NS(=O)(=O)N2CCCC2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NS(=O)(=O)c2ccc(Br)s2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NS(=O)(=O)c2cccc3nsnc23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NS(=O)(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(NS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(Nc2cc(=O)oc3ccccc23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(Nc2nc3ccccc3nc2N2CCN(c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(Nc2ncnc3c2cnn3-c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(Nc2ncnc3nc[nH]c23)c(=O)n(-c2ccccc2)n1C,0,0.0,
+Cc1c(O)c(CN2CCCC(C)C2)cc2c3c(c(=O)oc12)CCC3,0,0.0,
+Cc1c(O)c(CN2CCCC2)cc2c1oc(=O)c1ccccc12,0,0.0,
+Cc1c(O)c(CN2CCCC2)cc2c3c(c(=O)oc12)CCC3,0,0.0,
+Cc1c(O)c(CN2CCCC2)cc2c3c(c(=O)oc12)CCCC3,0,0.0,
+Cc1c(O)c(CN2CCCCC2)cc2c3c(c(=O)oc12)CCC3,0,0.0,
+Cc1c(O)ccc(C(=O)COc2ccccc2F)c1O,0,0.0,
+Cc1c(O)ccc2c3c(c(=O)oc12)CCC(C)C3,0,0.0,
+Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3,0,0.0,
+Cc1c(O)nc(SC2CC(=O)N(c3ccccc3)C2=O)[nH]c1=O,0,0.0,
+Cc1c(OC(=O)CNC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCC3,0,0.0,
+Cc1c(OCC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCC3,0,0.0,
+Cc1c(OCC(=O)OC(C)C)ccc2c3c(c(=O)oc12)CCC3,0,0.0,
+Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1,0,0.0,
+Cc1c(OCc2ccc(C(=O)O)o2)ccc2c3c(c(=O)oc12)CCC3,0,0.0,
+Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccccc1,0,0.0,
+Cc1c(OCc2nn[nH]n2)ccc2c(-c3ccccc3)cc(=O)oc12,0,0.0,
+Cc1c(OCc2nn[nH]n2)ccc2c3c(c(=O)oc12)CCC(C)C3,0,0.0,
+Cc1c(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c(=O)n(C)c(=O)n1C,0,0.0,
+Cc1c(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)n(C)c(=O)n1C,0,0.0,
+Cc1c(S(=O)(=O)N2CCc3ccccc3C2)c(=O)n(C)c(=O)n1C,0,0.0,
+Cc1c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(=O)n(C)c(=O)n1C,0,0.0,
+Cc1c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c(=O)n(C)c(=O)n1C,0,0.0,
+Cc1c(S(=O)(=O)Nc2cccc(Cl)c2)c(=O)n(C)c(=O)n1C,0,0.0,
+Cc1c([C@H]2[C@@H](CC#N)C2(C)C)c2ccccc2n1C,0,0.0,
+Cc1c2c([n+]3n1CCC3)CC(C)(C)CC2=O,0,0.0,
+Cc1c2c(n3c(nc4ccccc43)c1C#N)N(Cc1ccccn1)CC2,0,0.0,
+Cc1c2c(n3c(nc4ccccc43)c1C#N)N(Cc1cccnc1)CC2,0,0.0,
+Cc1c2c(nc3c(C(=O)NC4CC4)cnn13)CCCC2,0,0.0,
+Cc1c2c(nc3c(C(=O)NC4CCCC4)cnn13)CCCC2,0,0.0,
+Cc1c2c(nc3c(C(=O)NC4CCCCC4C)cnn13)CCCC2,0,0.0,
+Cc1c2c(nc3c(C)cccc13)OC(C)C2,0,0.0,
+Cc1c2c(nc3nc4ccccc4n13)CC(C)(C)CC2=O,0,0.0,
+Cc1c2c(nc3nc4ccccc4n13)CCCC2=O,0,0.0,
+Cc1c2cccn2cc[n+]1C,0,0.0,
+Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,0,0.0,
+Cc1c2cn[nH]c(=O)c2c(C)n1Cc1ccc(F)cc1,0,0.0,
+Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N1CCN(C)CC1,0,0.0,
+Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N1CCN(c2ncccn2)CC1,0,0.0,
+Cc1c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c(C)n1Cc1ccc(F)cc1,0,0.0,
+Cc1c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c(C)n1Cc1ccccc1,0,0.0,
+Cc1c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c(C)n1Cc1ccccc1F,0,0.0,
+Cc1c2cnn(CC(=O)N3CCN(c4ncccn4)CC3)c(=O)c2c(C)n1Cc1ccc(F)cc1,0,0.0,
+Cc1c2non(O)c-2c(C)[n+](=O)[n+]1[O-],0,0.0,
+Cc1c[n+]([O-])n(-c2ccc(C(=O)O)cc2)n1,0,0.0,
+Cc1c[nH]c2cccc(OCC(O)CNC(C)(C)C)c12,0,0.0,
+Cc1cc(-c2[nH]nc3c2C(c2ccsc2)C(C#N)=C(N)O3)c(C)s1,0,0.0,
+Cc1cc(-c2c(C)n([O-])c(C)c(C)[n+]2=O)ccc1F,0,0.0,
+Cc1cc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)co1,0,0.0,
+Cc1cc(-c2cc(N)n(-c3ccccc3)n2)c(C)n1C1CCCC1,0,0.0,
+Cc1cc(-c2ccc(Cl)cc2)n2nc(N)nc2n1,0,0.0,
+Cc1cc(-c2ccc(F)cc2)nc2cc(C(N)=O)nn12,0,0.0,
+Cc1cc(-c2ccc(N3C(=O)CCC3=O)c(C)c2)ccc1N1C(=O)CCC1=O,0,0.0,
+Cc1cc(-c2ccccc2)c(C#N)c(N)n1,0,0.0,
+Cc1cc(-c2ccccc2)c(C#N)c(SCC(N)=O)n1,0,0.0,
+Cc1cc(-c2ccccc2)c2c3c(cn2n1)c(=O)n(C)c(=O)n3C,0,0.0,
+Cc1cc(-c2ccccc2)c2nncn2n1,1,100.0,0.0
+Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)n1,0,0.0,
+Cc1cc(-c2ccccc2)n2ncc(C#N)c2n1,0,0.0,
+Cc1cc(-c2ccccc2)nc(=O)[nH]1,0,0.0,
+Cc1cc(-c2ccccc2)nc(N2CCC(C(=O)NC(C)C)CC2)n1,0,0.0,
+Cc1cc(-c2ccccc2)nc(N2CCN(c3ccccn3)CC2)n1,0,0.0,
+Cc1cc(-c2ccccc2)nc(SCc2ccc(C(=O)O)o2)n1,0,0.0,
+Cc1cc(-c2ccccc2)nc2[n+]1CCN2C,0,0.0,
+Cc1cc(-c2ccccc2)nc2cc(C(=O)NCCCn3ccnc3)nn12,0,0.0,
+Cc1cc(-c2ccccc2)nc2cc(C(N)=O)nn12,0,0.0,
+Cc1cc(-c2ccccc2)nc2nnnn12,0,0.0,
+Cc1cc(-c2ccccc2)nn1-c1nc2c(c(=O)[nH]c(=O)n2C)n1C,0,0.0,
+Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1,0,0.0,
+Cc1cc(-c2ccccc2C(=O)NCc2ccccc2)on1,0,0.0,
+Cc1cc(-c2ccccc2C(=O)O)on1,0,0.0,
+Cc1cc(-c2ccccc2N)n[nH]1,0,0.0,
+Cc1cc(-c2cccnc2)c(C#N)c(SCC#N)n1,0,0.0,
+Cc1cc(-c2ccco2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(-c2ccco2)n(CC(=O)NCCCc2ccccc2)n1,0,0.0,
+Cc1cc(-c2ccco2)n(CC(=O)NCCN(C)C)n1,0,0.0,
+Cc1cc(-c2ccco2)n(CC(=O)NCc2ccco2)n1,0,0.0,
+Cc1cc(-c2ccco2)n(CC(=O)O)n1,0,0.0,
+Cc1cc(-c2ccco2)n2c(nc3ccccc32)c1C#N,0,0.0,
+Cc1cc(-c2cccs2)c2c(n1)sc1c(=O)[nH]c(=O)[nH]c12,0,0.0,
+Cc1cc(-c2cccs2)n[nH]1,0,0.0,
+Cc1cc(-c2csc(N)n2)c(C)n1CCc1ccccc1,0,0.0,
+Cc1cc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)c(C)n1C,0,0.0,
+Cc1cc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)c(C)n1CC1CCCO1,0,0.0,
+Cc1cc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)n(C)n1,0,0.0,
+Cc1cc(-c2nc3ccccc3o2)c2ccccc2n1,0,0.0,
+Cc1cc(-c2nc3ncccc3o2)ccc1N,0,0.0,
+Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)CC(C)C,0,0.0,
+Cc1cc(-c2nn3c(-c4ccccc4)nnc3s2)c2ccccc2n1,0,0.0,
+Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)C(C)(C)C,0,0.0,
+Cc1cc(-c2nnc(-c3cc4ccccc4oc3=O)o2)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)o1,0,0.0,
+Cc1cc(-c2nnc(SCC(=O)N3C(C)CCCC3C)o2)no1,0,0.0,
+Cc1cc(-c2nnc(SCC(=O)NC3CCCC3)o2)no1,0,0.0,
+Cc1cc(-c2nnc(SCc3ccccn3)o2)no1,1,100.0,0.0
+Cc1cc(-c2nnc(SCc3cccnc3)o2)no1,0,0.0,
+Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(-c2nnc3n2N=C(C(C)(C)C)CS3)n[nH]1,0,0.0,
+Cc1cc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)n[nH]1,0,0.0,
+Cc1cc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)n[nH]1,0,0.0,
+Cc1cc(-c2nnc3sc(C4CCCCC4)nn23)n[nH]1,1,100.0,0.0
+Cc1cc(-c2nnco2)c(C)n1-c1ccc(F)cc1,0,0.0,
+Cc1cc(-c2nnco2)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(-n2[nH]c(C)c(C)c2=O)nc(-c2ccccc2O)n1,0,0.0,
+Cc1cc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)no1,0,0.0,
+Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCC4)C3=O)c2C)no1,0,0.0,
+Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)c2C)no1,1,100.0,
+Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCCC4C)C3=O)c2C)no1,0,0.0,
+Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)c2C)no1,0,0.0,
+Cc1cc(-n2c(C)cc(C(=O)COC(=O)CN=C3NS(=O)(=O)c4ccccc43)c2C)no1,0,0.0,
+Cc1cc(-n2c(C)cc(C(=O)COc3ccc4ccc(=O)oc4c3)c2C)no1,0,0.0,
+Cc1cc(-n2c(C)cc(C(=O)CSc3ccc4c(c3)OCCO4)c2C)no1,0,0.0,
+Cc1cc(-n2c(C)cc(C(=O)CSc3nc4ccccc4c(=O)n3Cc3ccco3)c2C)no1,0,0.0,
+Cc1cc(-n2c(C)cc(C(=O)CSc3ncnc4ccccc34)c2C)no1,0,0.0,
+Cc1cc(-n2c(C)cc(C(=O)CSc3nnc4sc5ccccc5n34)c2C)no1,0,0.0,
+Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccc(Cl)cc3)c2C)no1,0,0.0,
+Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)no1,0,0.0,
+Cc1cc(-n2c(SCC(=O)NCc3cccs3)nc3n[nH]c(C)c3c2=N)ccc1Cl,0,0.0,
+Cc1cc(-n2c(SCCC#N)nnc2-c2cccnc2)ccc1Cl,0,0.0,
+Cc1cc(-n2ccc(=O)[nH]c2=O)nc(-c2ccccc2)n1,0,0.0,
+Cc1cc(-n2nc(C)cc2C)n2ncc(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(-n2nc(C)cc2C)nc(N)n1,0,0.0,
+Cc1cc(-n2nc(C)cc2C)nc(NS(=O)(=O)c2ccccc2)n1,0,0.0,
+Cc1cc(-n2nnc3ccccc32)nc2ccccc12,0,0.0,
+Cc1cc(/C(=N/O)C(C)(C)NO)ccc1Cl,0,0.0,
+Cc1cc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccncc2)ccc1OCc1ccccc1,0,0.0,
+Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1cccnc1,1,100.0,0.0
+Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cc(Cl)ccc1Cl,0,0.0,
+Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(C(=O)O)cc1,0,0.0,
+Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(Cl)cc1Cl,0,0.0,
+Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1,1,100.0,1.0
+Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1,0,0.0,
+Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc2c(c1)OCO2,0,0.0,
+Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc2ncccc2c1,0,0.0,
+Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cccc(C(=O)O)c1,0,0.0,
+Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cccc(Cl)c1,0,0.0,
+Cc1cc(/C=N\O)c(C)n1-c1ccncc1,0,0.0,
+Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccn1,0,0.0,
+Cc1cc(/N=C/C=C2\N(C)c3ccccc3C2(C)C)n(CCC#N)n1,0,0.0,
+Cc1cc(/N=C/N(C)C)on1,0,0.0,
+Cc1cc(=O)[nH]c(-c2ccccc2O)n1,0,0.0,
+Cc1cc(=O)[nH]c(-n2nc(C)c(Oc3ccccc3O)c2C)n1,0,0.0,
+Cc1cc(=O)[nH]c(-n2nc(C)cc2C)n1,0,0.0,
+Cc1cc(=O)[nH]c(/N=C(/NC(=O)c2ccccc2)Nc2ccc3c(c2)OCCO3)n1,0,0.0,
+Cc1cc(=O)[nH]c(/N=C(\N)Nc2cccc3ccccc23)n1,0,0.0,
+Cc1cc(=O)[nH]c(=S)n1-c1ccccc1,1,100.0,0.0
+Cc1cc(=O)[nH]c(COc2ccccc2)n1,0,0.0,
+Cc1cc(=O)[nH]c(Cc2ccc(OC(C)C)cc2)n1,0,0.0,
+Cc1cc(=O)[nH]c(N2CCCC2)n1,0,0.0,
+Cc1cc(=O)[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1,0,0.0,
+Cc1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1,0,0.0,
+Cc1cc(=O)[nH]c(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1,0,0.0,
+Cc1cc(=O)[nH]c(Nc2ccc(C(=O)OC(C)C)cc2)n1,0,0.0,
+Cc1cc(=O)[nH]c(Nc2cccc(C(F)(F)F)c2)n1,0,0.0,
+Cc1cc(=O)[nH]c(S/C=C/c2ccccc2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SC/C=C/c2ccccc2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)C23CC4CC(CC(C4)C2)C3)c1C#N,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)N2CCC(C(N)=O)CC2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)N2CCCCCC2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3CC2C)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)NCCOc2ccccc2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)Nc2nc3c(s2)CCCC3)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)Nc2nnc(CC(C)C)s2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)c2ccc(C(C)C)cc2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)c2ccc(C)c(C)c2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC(=O)c2ccccc2)c1C#N,0,0.0,
+Cc1cc(=O)[nH]c(SCC(N)=O)c1C#N,0,0.0,
+Cc1cc(=O)[nH]c(SCC2(O)C3CC4CC(C3)CC2C4)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCC2COC3(CCCCC3)O2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCCOc2ccc(OC(C)C)cc2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCCOc2ccc3c(c2)CCC3)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCCOc2cccc(C(F)(F)F)c2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCc2cc(=O)n3nc(C)sc3n2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCc2cc(Cl)ccc2OC(F)F)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCc2cccc(Br)c2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCc2nc3ccccc3s2)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCc2nc3ncccn3c2Br)n1,0,0.0,
+Cc1cc(=O)[nH]c(SCn2nnc3ccccc3c2=O)n1,0,0.0,
+Cc1cc(=O)[nH]c2c(C)c(Cl)ccc12,0,0.0,
+Cc1cc(=O)[nH]c2c(C)c(N)ccc12,0,0.0,
+Cc1cc(=O)[nH]c2c1c(=O)[nH]n2C1CC(C)N(C)CC1C,0,0.0,
+Cc1cc(=O)[nH]c2c1c(C)nn2-c1ccccc1,0,0.0,
+Cc1cc(=O)[nH]c2c1c(C)nn2C1CCCC1,0,0.0,
+Cc1cc(=O)[nH]c2c1cnn2Cc1ccccc1,0,0.0,
+Cc1cc(=O)[nH]c2cc(Cl)ccc12,0,0.0,
+Cc1cc(=O)[nH]c2ccccc12,0,0.0,
+Cc1cc(=O)[nH]c2n[nH]c(-c3ccccc3)c12,0,0.0,
+Cc1cc(=O)c2c(C)nn(-c3ccccc3)c2[nH]1,0,0.0,
+Cc1cc(=O)c2c(O)c(O)ccc2o1,0,0.0,
+Cc1cc(=O)c2cc(Cl)ccc2[nH]1,0,0.0,
+Cc1cc(=O)c2ccccc2[nH]1,0,0.0,
+Cc1cc(=O)c2ccccc2s1,0,0.0,
+Cc1cc(=O)c2n(Cc3ccc(Cl)cc3)nc[n+]2[nH]1,0,0.0,
+Cc1cc(=O)c2n(Cc3ccccc3Cl)nc[n+]2[nH]1,0,0.0,
+Cc1cc(=O)cc(C)[nH]1,0,0.0,
+Cc1cc(=O)cc(C)n1-c1ccc2c(c1)nc(C)n2-c1ccccc1,1,100.0,
+Cc1cc(=O)cc(C)n1-c1ccccc1N1CCOCC1,0,0.0,
+Cc1cc(=O)n(-c2ccc(O)cc2)[nH]1,0,0.0,
+Cc1cc(=O)n(-c2ccc3ccccc3n2)[nH]1,0,0.0,
+Cc1cc(=O)n(C)c(=O)n1CC(=O)N1CCCCCC1,0,0.0,
+Cc1cc(=O)n(C)c(=O)n1CCCCCN1CCCC1,1,100.0,0.0
+Cc1cc(=O)n(C)c(=O)n1CCCNc1ccccc1,0,0.0,
+Cc1cc(=O)n(CC(C)C)c(O)c1C#N,0,0.0,
+Cc1cc(=O)n(CC(C)O)c(O)c1C#N,0,0.0,
+Cc1cc(=O)n(CC=C(Cl)Cl)c2ccccc12,0,0.0,
+Cc1cc(=O)n(CCC(=O)O)c2ccccc12,0,0.0,
+Cc1cc(=O)n(CCCO)c(O)c1C#N,0,0.0,
+Cc1cc(=O)n(CCO)c(O)c1C#N,0,0.0,
+Cc1cc(=O)n(CCc2ccccc2)c(O)c1C#N,0,0.0,
+Cc1cc(=O)n2[nH]c(-c3ccc(Cl)cc3)cc2n1,0,0.0,
+Cc1cc(=O)n2[nH]c(-c3ccc(F)cc3)cc2n1,0,0.0,
+Cc1cc(=O)n2[nH]c(-c3ccc(F)cc3)nc2n1,0,0.0,
+Cc1cc(=O)n2[nH]c(-c3ccccc3Cl)cc2n1,0,0.0,
+Cc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(=O)n2[nH]c(COc3ccccc3)nc2n1,0,0.0,
+Cc1cc(=O)n2[nH]c(N3C(=O)CCC3=O)nc2n1,0,0.0,
+Cc1cc(=O)n2[nH]cnc2n1,0,0.0,
+Cc1cc(=O)n2c(-c3ccccc3C)n[nH]c2n1,0,0.0,
+Cc1cc(=O)n2c(C)n[nH]c2n1,0,0.0,
+Cc1cc(=O)n2c(c1C#N)SC1CCCCC12O,0,0.0,
+Cc1cc(=O)n2c(ccc3ccccc32)c1C#N,0,0.0,
+Cc1cc(=O)n2c(n1)OC(CO)C2,0,0.0,
+Cc1cc(=O)n2c3c(cccc13)CCC2,0,0.0,
+Cc1cc(=O)n2c3c(sc2n1)C(=O)N(Cc1ccccc1)C3=O,0,0.0,
+Cc1cc(=O)n2nc(-c3ccccc3)sc2c1C#N,0,0.0,
+Cc1cc(=O)n2nc(-c3ccccc3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(C)CC4)CC3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)sc2n1,1,100.0,0.0
+Cc1cc(=O)n2nc(N3CCC(C(=O)NC4CCCc5ccccc54)CC3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCC(C(=O)NCCc4ccccc4)CC3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCC(C(=O)NCc4cccnc4)CC3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCN(C)CC4)C3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCN(c5ccccc5)CC4)C3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCc5ccccc54)C3)sc2n1,1,100.0,1.0
+Cc1cc(=O)n2nc(N3CCCC(C(=O)NCCC4=CCCCC4)C3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCCC(C(=O)NCCCN4CCc5ccccc5C4)C3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCCC(C(=O)NCCc4ccccc4)C3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCCC(C(=O)NCc4ccc5c(c4)OCO5)C3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCCC(C(=O)NCc4ccco4)C3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCCC3C(=O)NCCCN3CC(C)CC(C)C3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCCC3C(=O)NCCCN3CCCCC3)sc2n1,0,0.0,
+Cc1cc(=O)n2nc(N3CCCC3C(=O)NCc3ccccn3)sc2n1,0,0.0,
+Cc1cc(=O)n2ncnc2n1COCCO,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)N1CCN(C)CC1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)N1CCc2c([nH]c3ccccc23)C1C(C)C,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NC1CC(C)(C)NC(C)(C)C1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCC(C)C,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCC(C)NC(=O)c1c(C)cc(=O)oc1C,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCC1CCCO1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCC1COc2ccccc2O1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCCC(C)C,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCCC1=CCCCC1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCCCN1C(C)CCCC1C,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCCCN1CCN(c2ccccc2F)CC1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCCN1CCOCC1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCCNC(=O)c1c(C)cc(=O)oc1C,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCCc1ccccc1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCc1c(F)cc(F)cc1F,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCc1ccc(F)cc1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)NCc1ccccn1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)N[C@@H]1CCCCNC1=O,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)Nc1ccc2nsnc2c1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)Nc1cccc2nonc12,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)Nc1cnc2ccccc2c1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)O,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccccc1,0,0.0,
+Cc1cc(=O)oc(C)c1C(=O)n1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C,0,0.0,
+Cc1cc(=O)oc2c(C)c(OCC(=O)N(C)C)ccc12,0,0.0,
+Cc1cc(=O)oc2c(CN(C)Cc3ccccc3)c(O)ccc12,0,0.0,
+Cc1cc(=O)oc2c(CN3CCC(C)CC3)c(O)c(Cl)cc12,0,0.0,
+Cc1cc(=O)oc2c(CN3CCCCC3)c(O)c(Cl)cc12,0,0.0,
+Cc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12,0,0.0,
+Cc1cc(=O)oc2c(N)c(O)ccc12,0,0.0,
+Cc1cc(=O)oc2c1c(C)nn2-c1ccc(C(=O)OC(C)C)cc1,0,0.0,
+Cc1cc(=O)oc2c1c(C)nn2-c1nn[nH]n1,0,0.0,
+Cc1cc(=O)oc2c1ccc1oc(/C(=N/O)c3ccccc3)c(C)c12,0,0.0,
+Cc1cc(=O)oc2c1ccc1oc(C(C)O)c(C)c12,0,0.0,
+Cc1cc(=O)oc2cc(N)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(NC(=O)CCCC(=O)O)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OC(C)C(=O)N3CCCc4ccccc43)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OC(C)C(=O)Nc3nccs3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OC(C)C(=O)O)c(Cl)cc12,0,0.0,
+Cc1cc(=O)oc2cc(OC(C)C)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC#N)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(=O)N3CCCC(C)C3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(=O)N3CCCc4ccccc43)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(=O)N3CCc4ccccc4C3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(=O)N3c4ccccc4CC3C)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(=O)NCCCN3CCOCC3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(=O)NCCc3nc4ccccc4[nH]3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(=O)NCc3cccnc3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N3CCc4ccccc43)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)NCc3ccc4c(c3)OCO4)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(=O)OCc3nnc(-c4ccccc4)o3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(O)CN3CCN(c4ccc(F)cc4)CC3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(O)CN3CCN(c4ccccc4)CC3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC(O)CN3CCc4ccccc4C3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCC3CC(c4ccc(N(C)C)cc4)=NO3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCCSCCN3CCOCC3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(OCc3nnc(-c4ccccc4Br)o3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc(Oc3ncccn3)ccc12,0,0.0,
+Cc1cc(=O)oc2cc3c(cc12)OCCN3,0,0.0,
+Cc1cc(=O)oc2cc3c(cc12)OCCO3,0,0.0,
+Cc1cc(=O)oc2ccc(OC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc12,0,0.0,
+Cc1cc(=O)oc2ccc(OCC(=O)N(Cc3ccc(F)cc3)Cc3ccco3)cc12,1,100.0,
+Cc1cc(=O)oc2ccc(OCC(=O)N3CCC(C)CC3)cc12,0,0.0,
+Cc1cc(=O)oc2ccc(OCC(=O)N3CCc4ccccc43)cc12,0,0.0,
+Cc1cc(=O)oc2n[nH]c(-c3ccccc3)c12,0,0.0,
+Cc1cc(=S)[nH]c2ccccc12,0,0.0,
+Cc1cc(=S)cc(C)n1CCCO,0,0.0,
+Cc1cc(=S)cc(C)n1CCCn1ccnc1,0,0.0,
+Cc1cc(=S)n(-c2ccccc2)n1C,0,0.0,
+Cc1cc(Br)c(S(=O)(=O)NCCN2CCOCC2)cc1C,0,0.0,
+Cc1cc(Br)c(S(=O)(=O)n2nnc3ccccc32)cc1C,1,100.0,0.0
+Cc1cc(Br)c2c(c1)=C(c1sc(N3CCCCCC3)nc1O)C(=O)N=2,0,0.0,
+Cc1cc(Br)ccc1N1C(=O)CC(=O)NC1=O,0,0.0,
+Cc1cc(Br)ccc1NC(=O)C1CCCO1,0,0.0,
+Cc1cc(Br)ccc1NC(=O)CCN1C(=O)c2ccncc2C1=O,0,0.0,
+Cc1cc(Br)ccc1NC(=O)CNC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O,0,0.0,
+Cc1cc(Br)ccc1NC(=O)CNC(=O)CSc1n[nH]c(N)n1,0,0.0,
+Cc1cc(Br)ccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C(C)C,0,0.0,
+Cc1cc(Br)ccc1OCc1nc(-c2cccnc2)no1,0,0.0,
+Cc1cc(Br)ccc1SCC(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+Cc1cc(C#N)c(C)n1-c1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+Cc1cc(C#N)c2ccccc2n1,0,0.0,
+Cc1cc(C(=O)CC#N)c(C)n1-c1ccc(OC(F)F)cc1,0,0.0,
+Cc1cc(C(=O)CC#N)c(C)n1CC(F)(F)F,0,0.0,
+Cc1cc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(C)s1,0,0.0,
+Cc1cc(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CN2C(=O)C3CC=CCC3C2=O)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1,0,0.0,
+Cc1cc(C(=O)CN2C(=O)NC(C)(c3cccc(Br)c3)C2=O)c(C)n1Cc1ccco1,0,0.0,
+Cc1cc(C(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)n1Cc1ccco1,0,0.0,
+Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1Cc1ccc2c(c1)OCO2,0,0.0,
+Cc1cc(C(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c(C)n1Cc1cccs1,0,0.0,
+Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1C1CC1,0,0.0,
+Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1Cc1cccs1,0,0.0,
+Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1CC1CCCO1,0,0.0,
+Cc1cc(C(=O)CN2CC(C)OC(C)C2)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)CNCc2ccco2)c(C)n1-c1ccc(F)cc1,0,0.0,
+Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1ccc2c(c1)OCO2,0,0.0,
+Cc1cc(C(=O)COC(=O)C2COc3ccccc3O2)c(C)n1CC1CCCO1,0,0.0,
+Cc1cc(C(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c(C)n1Cc1ccco1,0,0.0,
+Cc1cc(C(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)n1C,0,0.0,
+Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)n1C,0,0.0,
+Cc1cc(C(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1CC1CCCO1,0,0.0,
+Cc1cc(C(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1Cc1cccs1,0,0.0,
+Cc1cc(C(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)n1Cc1ccco1,0,0.0,
+Cc1cc(C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1C,0,0.0,
+Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCO3)c(C)n1Cc1cccs1,0,0.0,
+Cc1cc(C(=O)COC(=O)c2cccs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1cc(C(=O)COC(=O)c2csc3c2CCCC3)c(C)n1C,0,0.0,
+Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)n1C,0,0.0,
+Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1Cc1ccccc1,0,0.0,
+Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1Cc1cccs1,0,0.0,
+Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)COc2cccc3cccnc23)c(C)n1C,0,0.0,
+Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1C,0,0.0,
+Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1C1CC1,0,0.0,
+Cc1cc(C(=O)COc2nncc3ccccc23)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSC(C)c2nc3ccccc3c(=O)[nH]2)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSCCCn2c(=O)[nH]c3ccccc32)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSCc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1cc(F)ccc1F,0,0.0,
+Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1cccc(F)c1,0,0.0,
+Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1CCc1ccc(F)cc1,0,0.0,
+Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1Cc1ccc2c(c1)OCO2,0,0.0,
+Cc1cc(C(=O)CSc2nc3ccccc3n2CCC#N)c(C)n1Cc1cccs1,0,0.0,
+Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1C1CC1,0,0.0,
+Cc1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)n1Cc1ccco1,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC2CCCO2)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c(C)n1Cc1cccs1,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3cccc(F)c3)n2N)c(C)n1Cc1ccc2c(c1)OCO2,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(C)n1-c1ncn[nH]1,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)o2)c(C)n1Cc1cccs1,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1ccc2c(c1)OCCO2,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1CC1COc2ccccc2O1,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1Cc1ccco1,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)n1C,0,0.0,
+Cc1cc(C(=O)CSc2nnc(C3COc4ccccc4O3)n2C)c(C)n1-c1ccc(F)cc1,0,0.0,
+Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1Cc1ccc2c(c1)OCO2,0,0.0,
+Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1CCc1ccc(Cl)cc1,0,0.0,
+Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1CCc1ccc(F)cc1,0,0.0,
+Cc1cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c(C)n1C,1,100.0,0.0
+Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1CC1CCCO1,0,0.0,
+Cc1cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c(C)n1CC1CCCO1,0,0.0,
+Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,1,100.0,1.0
+Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc2c(c1)OCO2,1,100.0,1.0
+Cc1cc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(C)n1CC1CCCO1,0,0.0,
+Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1CC1CCCO1,0,0.0,
+Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc2c(c1)OCCO2,1,100.0,1.0
+Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1cccc(F)c1,0,0.0,
+Cc1cc(C(=O)CSc2nnnn2C)c(C)n1CCc1ccc(Cl)cc1,0,0.0,
+Cc1cc(C(=O)CSc2nnnn2C)c(C)n1CCc1ccc(F)cc1,1,100.0,0.0
+Cc1cc(C(=O)Cn2cncn2)c(C)n1CCc1ccc(F)cc1,0,0.0,
+Cc1cc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c(C)n1CC1CCCO1,0,0.0,
+Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1Cc1cccs1,0,0.0,
+Cc1cc(C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c(C)o1,0,0.0,
+Cc1cc(C(=O)N(C)Cc2ccc(Br)cc2)no1,1,100.0,0.0
+Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1,0,0.0,
+Cc1cc(C(=O)N2CC(C)CC(C)C2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(C(=O)N2CCC(C(F)(F)F)n3nccc32)on1,0,0.0,
+Cc1cc(C(=O)N2CCC3(CC2)OCCO3)cs1,0,0.0,
+Cc1cc(C(=O)N2CCCC2C(=O)O)c(C)o1,0,0.0,
+Cc1cc(C(=O)N2CCCCCC2)cs1,0,0.0,
+Cc1cc(C(=O)N2CCCc3ccccc32)no1,0,0.0,
+Cc1cc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)no1,0,0.0,
+Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1,1,100.0,1.0
+Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)on1,1,100.0,1.0
+Cc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1,0,0.0,
+Cc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)no1,0,0.0,
+Cc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)no1,0,0.0,
+Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1,0,0.0,
+Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)on1,0,0.0,
+Cc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cs1,0,0.0,
+Cc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)sc1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)o1,0,0.0,
+Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)no1,0,0.0,
+Cc1cc(C(=O)N2CCN(c3ccccn3)CC2)c(C)o1,0,0.0,
+Cc1cc(C(=O)N2CCN(c3ccccn3)CC2)no1,0,0.0,
+Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(C)o1,0,0.0,
+Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c2cc(F)ccc2n1,0,0.0,
+Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)cs1,0,0.0,
+Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)sc1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)N2CCOCC2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(C(=O)N2CCc3ccccc32)c2cc(F)ccc2n1,0,0.0,
+Cc1cc(C(=O)N2CCc3ccccc32)c2ccccc2n1,0,0.0,
+Cc1cc(C(=O)N2CCc3ccccc32)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(C(=O)NC(C)C)on1,0,0.0,
+Cc1cc(C(=O)NC(C)C2CCCO2)cs1,0,0.0,
+Cc1cc(C(=O)NC(C)c2ccc3c(c2)OCO3)cs1,0,0.0,
+Cc1cc(C(=O)NC(C)c2ccncc2)cs1,0,0.0,
+Cc1cc(C(=O)NC(C)c2ccncc2)no1,0,0.0,
+Cc1cc(C(=O)NC2=NCCS2)cs1,0,0.0,
+Cc1cc(C(=O)NC2CCCC2)on1,0,0.0,
+Cc1cc(C(=O)NC2CCCc3ccccc32)no1,0,0.0,
+Cc1cc(C(=O)NCC(c2ccco2)N(C)C)no1,0,0.0,
+Cc1cc(C(=O)NCC2CCCO2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(C(=O)NCCC2=CCCCC2)c(C)o1,0,0.0,
+Cc1cc(C(=O)NCCC2=CCCCC2)no1,0,0.0,
+Cc1cc(C(=O)NCCCN2CCCC2=O)cs1,0,0.0,
+Cc1cc(C(=O)NCCCN2CCCC2=O)no1,0,0.0,
+Cc1cc(C(=O)NCCCN2CCN(C3CCCCC3)CC2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(C(=O)NCCCN2CCOCC2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(C(=O)NCCCc2ccccc2)no1,0,0.0,
+Cc1cc(C(=O)NCCCn2ccnc2)cs1,0,0.0,
+Cc1cc(C(=O)NCCCn2ccnc2)sc1-c1ccccc1,1,100.0,0.0
+Cc1cc(C(=O)NCCN2CCCCC2C)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(C(=O)NCc2cc(C(=O)O)oc2C)c(C)o1,0,0.0,
+Cc1cc(C(=O)NCc2cc(C)n(C)n2)sc1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)o1,0,0.0,
+Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cs1,0,0.0,
+Cc1cc(C(=O)NCc2ccc3c(c2)OCO3)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(C(=O)NCc2ccccc2)c(=O)[nH]c1C,0,0.0,
+Cc1cc(C(=O)NCc2ccccc2)no1,0,0.0,
+Cc1cc(C(=O)NCc2ccccc2Br)no1,0,0.0,
+Cc1cc(C(=O)NCc2ccccc2F)cs1,0,0.0,
+Cc1cc(C(=O)NCc2cccnc2)cs1,0,0.0,
+Cc1cc(C(=O)NCc2cccnc2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(C(=O)NCc2cccnc2)no1,0,0.0,
+Cc1cc(C(=O)NCc2ccco2)cs1,0,0.0,
+Cc1cc(C(=O)NCc2cccs2)c(C)o1,0,0.0,
+Cc1cc(C(=O)NCc2cccs2)cs1,0,0.0,
+Cc1cc(C(=O)NCc2cccs2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)o1,0,0.0,
+Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cs1,0,0.0,
+Cc1cc(C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)no1,0,0.0,
+Cc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)no1,0,0.0,
+Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)c(C)o1,0,0.0,
+Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1,0,0.0,
+Cc1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)no1,0,0.0,
+Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)c(-c2ccccc2)o1,0,0.0,
+Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1,0,0.0,
+Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cs1,0,0.0,
+Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)o1,0,0.0,
+Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c(C)o1,0,0.0,
+Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cs1,0,0.0,
+Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(C)o1,0,0.0,
+Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)co1,0,0.0,
+Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)cs1,0,0.0,
+Cc1cc(C(=O)Nc2cccc(C(=O)O)c2)oc1C,0,0.0,
+Cc1cc(C(=O)Nc2cccc(O)c2)c(C)o1,0,0.0,
+Cc1cc(C(=O)Nc2cccc(O)c2)co1,0,0.0,
+Cc1cc(C(=O)Nc2cccc3ncccc23)no1,0,0.0,
+Cc1cc(C(=O)Nc2ccccc2C#N)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)no1,0,0.0,
+Cc1cc(C(=O)Nc2ccccn2)cs1,0,0.0,
+Cc1cc(C(=O)Nc2ccccn2)no1,0,0.0,
+Cc1cc(C(=O)Nc2cccnc2)cs1,0,0.0,
+Cc1cc(C(=O)Nc2cccnc2)no1,0,0.0,
+Cc1cc(C(=O)Nc2cccnc2)on1,0,0.0,
+Cc1cc(C(=O)Nc2ccon2)cs1,0,0.0,
+Cc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)no1,0,0.0,
+Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)cs1,0,0.0,
+Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)no1,0,0.0,
+Cc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)o1,0,0.0,
+Cc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)no1,0,0.0,
+Cc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)no1,0,0.0,
+Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)cs1,0,0.0,
+Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)no1,0,0.0,
+Cc1cc(C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(N)=O)no1,0,0.0,
+Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c(C)o1,0,0.0,
+Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)no1,0,0.0,
+Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC(C(C)(C)C)C3)no1,0,0.0,
+Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC(C)C3)cs1,0,0.0,
+Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC(C)C3)no1,0,0.0,
+Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1,0,0.0,
+Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)no1,0,0.0,
+Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cs1,0,0.0,
+Cc1cc(C(=O)Nn2cnnc2)cs1,0,0.0,
+Cc1cc(C(=O)O)c(=O)[nH]c1C,0,0.0,
+Cc1cc(C(=O)O)c(CCCN)s1,0,0.0,
+Cc1cc(C(=O)O)c(CSc2ncn[nH]2)o1,0,0.0,
+Cc1cc(C(=O)O)c(S(C)(=O)=O)s1,0,0.0,
+Cc1cc(C(=O)O)cc(S(=O)(=O)N2CCOCC2)c1C,0,0.0,
+Cc1cc(C(=O)O)ccc1-n1c(C)ccc1C,0,0.0,
+Cc1cc(C(=O)O)sc1C,0,0.0,
+Cc1cc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c(C)n1-c1ccccc1,1,100.0,0.0
+Cc1cc(C(=O)OCC(=O)N2C(C)CCCC2C)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)no1,0,0.0,
+Cc1cc(C(=O)OCC(=O)N2CC(C)CC(C)C2)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)N2CCC(C)CC2)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1-c1ccc(F)cc1,0,0.0,
+Cc1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1,0,0.0,
+Cc1cc(C(=O)OCC(=O)N2CCOCC2)c2ccccc2n1,0,0.0,
+Cc1cc(C(=O)OCC(=O)N2CCc3ccccc32)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)N2c3ccccc3CC2C)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)NC2CCS(=O)(=O)C2)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)OCC(=O)NCCc2ccccc2)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)NCc2ccco2)c(C)n1-c1ccc(F)cc1,0,0.0,
+Cc1cc(C(=O)OCC(=O)NCc2ccco2)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)Nc2cc(C)on2)c2ccccc2n1,1,100.0,0.0
+Cc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)c2ccc(Br)s2)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCC(=O)c2ccc(Br)s2)no1,0,0.0,
+Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCCO)c(C#N)c(N)n1,0,0.0,
+Cc1cc(C(=O)OCc2nc3ccccc3s2)c(C)o1,0,0.0,
+Cc1cc(C(=O)OCc2nnc(-c3ccccc3)o2)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)OCn2nnc3ccccc3c2=O)c(C)n1-c1ccccc1,0,0.0,
+Cc1cc(C(=O)OCn2nnc3ccccc3c2=O)c(C)o1,0,0.0,
+Cc1cc(C(=O)Oc2ccccc2C(=O)O)c(C)o1,0,0.0,
+Cc1cc(C(=O)c2cccs2)c(N)s1,0,0.0,
+Cc1cc(C(=S)N2CCOCC2)c(C)n1C1CCCC1,0,0.0,
+Cc1cc(C(C#N)c2ccccc2)n2ncnc2n1,0,0.0,
+Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,0,0.0,
+Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1,1,100.0,1.0
+Cc1cc(C(C)(C)C)cc(C)c1COC(=O)C1CCC(=O)N1,0,0.0,
+Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCC(=O)O)c1C,0,0.0,
+Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCCO)c1C,0,0.0,
+Cc1cc(C(C)(C)C)ccc1OCCN(C)C,0,0.0,
+Cc1cc(C(C)(C)C)oc1C(=O)N1CCN(C(=O)c2oc(C(C)(C)C)cc2C)CC1,0,0.0,
+Cc1cc(C(C)(C)C)oc1C(=O)Nc1ccc(CC(=O)O)cc1,0,0.0,
+Cc1cc(C(C)c2ccccc2)c(O)c(CN2CCOCC2)c1C,0,0.0,
+Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC2CC2)n1,0,0.0,
+Cc1cc(C(F)(F)F)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1,0,0.0,
+Cc1cc(C(F)(F)F)c2c(C)nn(CCc3nn[nH]n3)c2n1,0,0.0,
+Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3cc(C)on3)sc2n1,0,0.0,
+Cc1cc(C(F)(F)F)c2sc(N)nc2n1,0,0.0,
+Cc1cc(C(F)(F)F)n2nc(C(=O)O)c(Cl)c2n1,0,0.0,
+Cc1cc(C(F)(F)F)n2ncc(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(C(F)(F)F)n2ncc(C(=O)O)c2n1,0,0.0,
+Cc1cc(C(F)(F)F)nc(NCc2ccc(F)cc2)n1,0,0.0,
+Cc1cc(C(F)(F)F)nc(NCc2cccnc2)n1,0,0.0,
+Cc1cc(C(F)(F)F)nc(Nc2nc(C)c3ccccc3n2)n1,0,0.0,
+Cc1cc(C(F)(F)F)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1,0,0.0,
+Cc1cc(C(F)(F)F)nc(SCC(=O)NC2CC3CCC2C3)n1,0,0.0,
+Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cc(C)on2)n1,0,0.0,
+Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2)n1,0,0.0,
+Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)O)o2)n1,0,0.0,
+Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCC1,0,0.0,
+Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCCC1C,0,0.0,
+Cc1cc(C(F)(F)F)nn1CC(=O)NCC1CCCO1,0,0.0,
+Cc1cc(C(F)(F)F)nn1CC(=O)NCc1ccccc1,0,0.0,
+Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cccnc1,0,0.0,
+Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cnccn1,0,0.0,
+Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)NCc2ccco2)o1,0,0.0,
+Cc1cc(C(F)F)n2nc(C(=O)Nc3c(F)cc(F)cc3Br)nc2n1,0,0.0,
+Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(C)on3)nc2n1,0,0.0,
+Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(F)cc3F)nc2n1,0,0.0,
+Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nc2n1,0,0.0,
+Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc2n1,0,0.0,
+Cc1cc(C(F)F)n2nc(C(=O)Nc3cccc(C(F)(F)F)c3)nc2n1,0,0.0,
+Cc1cc(C(F)F)n2nc(C(=O)Nc3ccccc3Br)nc2n1,0,0.0,
+Cc1cc(C(F)F)n2nc(C(=O)Nc3ccccc3F)nc2n1,0,0.0,
+Cc1cc(C(F)F)n2nc(C(=O)O)nc2n1,0,0.0,
+Cc1cc(C(F)F)n2ncc(C(=O)N3CCc4ccccc4C3)c2n1,0,0.0,
+Cc1cc(C(F)F)n2ncc(C(=O)NC3CCCCCC3)c2n1,0,0.0,
+Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3)c2n1,0,0.0,
+Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3C(F)(F)F)c2n1,0,0.0,
+Cc1cc(C(N)=O)c2cc(Br)ccc2n1,0,0.0,
+Cc1cc(C(N)=O)c2ccccc2n1,0,0.0,
+Cc1cc(C(c2nnnn2Cc2ccccc2)N2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2,0,0.0,
+Cc1cc(C)c(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]n2)c(O)c1,0,0.0,
+Cc1cc(C)c(-c2cc(C(F)(F)F)no2)c(=O)[nH]1,0,0.0,
+Cc1cc(C)c(-c2cc(NC(=O)CSc3nncn3C)n(-c3ccccc3)n2)cc1C,0,0.0,
+Cc1cc(C)c(-n2c(O)c(C=NCCN3CCOCC3)c(=O)[nH]c2=O)c(C)c1,0,0.0,
+Cc1cc(C)c(C#N)c(=N)o1,0,0.0,
+Cc1cc(C)c(C#N)c(N2CCCC(C(N)=O)C2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(N2CCN(CCOc3ccc(Cl)cc3)CC2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(N2CCSCC2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(NCCCN2CCOCC2)n1,1,100.0,1.0
+Cc1cc(C)c(C#N)c(Nc2ccc3c(c2)OCCO3)n1,0,0.0,
+Cc1cc(C)c(C#N)c(Nc2ccccc2Cl)n1,0,0.0,
+Cc1cc(C)c(C#N)c(OCC(=O)c2ccccc2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(Oc2ccc(O)cc2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SC2CCCCC2=O)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCC(=O)CC(=O)OC(C)C)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCC(=O)N(C)C2CCCCC2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCC(=O)N2CCCCC2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCC(=O)N2CCN(Cc3ccccc3)CC2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCC(=O)NC2CC2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C(N)=O)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCC(=O)OC2CCCCC2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCC(=O)c2cccs2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCC(O)CS(=O)(=O)Cc2ccccc2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCC2COc3ccccc3O2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCCS(=O)(=O)Cc2ccccc2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SC[S+]([O-])Cc2ccc(Cl)cc2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SC[S+]([O-])Cc2ccccc2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SC[S+]([O-])c2ccc(C(C)(C)C)cc2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCc2[nH]nc3c2C(c2ccccc2)C(C#N)=C(N)O3)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCc2ccc(C#N)cc2)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCc2ccc3c(c2)OCO3)n1,0,0.0,
+Cc1cc(C)c(C#N)c(SCc2ccccc2C(=O)O)n1,0,0.0,
+Cc1cc(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1C,0,0.0,
+Cc1cc(C)c(C(=O)CN2CCOCC2)c(C)c1,0,0.0,
+Cc1cc(C)c(C(=O)COC(=O)Cn2cnnn2)cc1C,0,0.0,
+Cc1cc(C)c(C(=O)CSc2n[nH]c(=O)n2C2CC2)cc1C,0,0.0,
+Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1C,0,0.0,
+Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c(C)c1,0,0.0,
+Cc1cc(C)c(C(=O)OCCNC(=O)c2cccnc2)cc1C,0,0.0,
+Cc1cc(C)c(C(N)=O)c(NCCc2ccccc2)n1,0,0.0,
+Cc1cc(C)c(C(N)=O)c(Nc2ccc3c(c2)OCCO3)n1,0,0.0,
+Cc1cc(C)c(C(N)=O)c(Nc2cccc(Cl)c2C)n1,0,0.0,
+Cc1cc(C)c(C)c(OCC(=O)NCC2CCCO2)c1,0,0.0,
+Cc1cc(C)c(C)c(OCC(=O)NCCN(C)C)c1,0,0.0,
+Cc1cc(C)c(C)c(OCC(=O)NCc2nc(-c3ccccc3)no2)c1,0,0.0,
+Cc1cc(C)c(C)c(OCCOCCN2CCOCC2)c1,0,0.0,
+Cc1cc(C)c(C)c(OCc2nc(-c3cccnc3)no2)c1,0,0.0,
+Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCCC2)c1C,0,0.0,
+Cc1cc(C)c(C)c(S(=O)(=O)NCc2cccnc2)c1C,0,0.0,
+Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(O)cc2)c1C,0,0.0,
+Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)c1C,0,0.0,
+Cc1cc(C)c(C2=NOC(O)(C(F)(F)F)C2)c(=O)[nH]1,0,0.0,
+Cc1cc(C)c(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCCC1,0,0.0,
+Cc1cc(C)c(Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)c(C)c1,0,0.0,
+Cc1cc(C)c(N2C(=NC(=O)CCCC(=O)O)SC3CS(=O)(=O)CC32)c(C)c1,0,0.0,
+Cc1cc(C)c(N2CCN(S(=O)(=O)N3CCCCCC3)CC2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)C(C)(C)C)c(Cl)c1,0,0.0,
+Cc1cc(C)c(NC(=O)C2CCCN2CCO)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)C2CSCCS2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)CCCN2CCN(C)CC2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)CCCN2CCOCC2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)CCCOC(=O)C2=COCCO2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1,0,0.0,
+Cc1cc(C)c(NC(=O)CN2CCN(C)CC2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)CN2CCN3CCCC3C2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)C[S+]([O-])CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)C[S+]([O-])CC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)C[S+]([O-])CC(=O)NCC2CCCO2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)C[S+]([O-])CC(=O)Nc2cccnc2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2N)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c(Cl)c1,0,0.0,
+Cc1cc(C)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)Cn2cc3c(n2)CCCC3)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)NC(=O)c2ccc(F)cc2)c(C)n1,0,0.0,
+Cc1cc(C)c(NC(=O)NC(=O)c2cccc(F)c2)c(C)n1,0,0.0,
+Cc1cc(C)c(NC(=O)OCCN2CCOCC2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)c2cc3c(nc4sccn43)s2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1,0,0.0,
+Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1,0,0.0,
+Cc1cc(C)c(NC2=CC(=O)CC(C)(C)C2)c(C#N)c1,0,0.0,
+Cc1cc(C)c(NC2=NCC(=O)N2C2CCCCC2)c(C)c1,0,0.0,
+Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)[nH]n2)c1,0,0.0,
+Cc1cc(C)c(OCC(=O)Nc2ccc3c(c2)OCO3)cc1C,0,0.0,
+Cc1cc(C)c(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(Br)c1,0,0.0,
+Cc1cc(C)c(OCC(=O)Nc2cccc(O)c2)cc1C,0,0.0,
+Cc1cc(C)c(OCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1,0,0.0,
+Cc1cc(C)c(OCC(=O)Nc2nnn(C)n2)c(Br)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCCCC2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC2CCCC2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)N(C)CC(N)=O)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)N(C)Cc2cnn(C)c2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCOCC2)C2CCCCC2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2cccnc2)C2CCCCC2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)C2CCCCC2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)N2CCCCC2)c(C)c1-n1ncnn1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)N2CCN(CCO)CC2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3C)CC2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)NCCC2CCCN2C)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)NCCCN2CCOCC2)cc1Br,0,0.0,
+Cc1cc(C)c(S(=O)(=O)NCc2cn3c(C)csc3n2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1C,0,0.0,
+Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)cc1C,0,0.0,
+Cc1cc(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)Nc2ccc[nH]c2=O)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)Nc2cccc3nsnc23)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)Nc2cccnc2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)Nc2nnc(C)s2)c(C)c1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)O)c(C)n1,0,0.0,
+Cc1cc(C)c(S(=O)(=O)n2nc(C)c(Br)c2C)c(C)c1,0,0.0,
+Cc1cc(C)c(S(N)(=O)=O)c(C)c1-n1cnnn1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCC(C)CC3)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCCC(C)C3)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCC(C)CC3)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCCC3)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCCCC3)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)C3CCCO3)C3CCCC3)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)C3CCCO3)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)c3cnccn3)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C3CCCC3)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C3CCCO3)cc2c1,0,0.0,
+Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1,0,0.0,
+Cc1cc(C)c2c(-n3cccc3)c(C(=O)O)sc2n1,0,0.0,
+Cc1cc(C)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1,0,0.0,
+Cc1cc(C)c2c(=O)[nH]c(SCC(=O)N3CCCCC3)nc2n1,0,0.0,
+Cc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3ccccc3)nc2n1,0,0.0,
+Cc1cc(C)c2c(=O)[nH]n(C(C)C)c2n1,0,0.0,
+Cc1cc(C)c2c(=O)[nH]n(C3CC(C)N(C)CC3C)c2n1,0,0.0,
+Cc1cc(C)c2c(=O)[nH]n(C3CCOC(C)(C)C3)c2n1,0,0.0,
+Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)C3c1cccc(O)c1,0,0.0,
+Cc1cc(C)c2c(=O)n(-c3ccccc3)[nH]c2n1,0,0.0,
+Cc1cc(C)c2c(=O)n(CC(=O)N3CCC(Cc4ccccc4)CC3)sc2n1,0,0.0,
+Cc1cc(C)c2c(=O)n(CC(=O)N3CCC(N4CCCCC4)CC3)sc2n1,0,0.0,
+Cc1cc(C)c2c(=O)n(CC(=O)NCCCN3CCN(c4ccccc4F)CC3)sc2n1,0,0.0,
+Cc1cc(C)c2c(=O)n(CC(=O)NCCCN3CCOCC3)sc2n1,0,0.0,
+Cc1cc(C)c2c(C)[nH]c(=O)cc2c1,0,0.0,
+Cc1cc(C)c2c(C)nn(C3CCCCC3)c2n1,0,0.0,
+Cc1cc(C)c2c(CC(=O)N(CCC#N)Cc3cccnc3)coc2c1,0,0.0,
+Cc1cc(C)c2c(CC(=O)NCc3ccco3)coc2c1,0,0.0,
+Cc1cc(C)c2c(CC(=O)Nc3ccc(Cl)cn3)coc2c1,0,0.0,
+Cc1cc(C)c2c(CC(=O)Nc3nccs3)coc2c1,0,0.0,
+Cc1cc(C)c2c(CC(=O)O)coc2c1,0,0.0,
+Cc1cc(C)c2c(CN3CCN(C)CC3)cc(=O)oc2c1,0,0.0,
+Cc1cc(C)c2c(CN3CCN(C/C=C/c4ccccc4)CC3)cc(=O)oc2c1,1,100.0,1.0
+Cc1cc(C)c2c(CN3CCN(CCO)CC3)cc(=O)oc2c1,0,0.0,
+Cc1cc(C)c2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1,1,100.0,1.0
+Cc1cc(C)c2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1C,1,100.0,1.0
+Cc1cc(C)c2c(N)c(C(=O)N3CCCCCC3)sc2n1,0,0.0,
+Cc1cc(C)c2c(N)c(C(=O)N3CCN(c4ncccn4)CC3)sc2n1,0,0.0,
+Cc1cc(C)c2c(N)c(C(=O)NCc3ccco3)sc2n1,0,0.0,
+Cc1cc(C)c2c(N)c(C(=O)Nc3nccs3)sc2n1,0,0.0,
+Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)oc2n1,0,0.0,
+Cc1cc(C)c2c(N)c(S(=O)(=O)Cc3ccccc3)sc2n1,0,0.0,
+Cc1cc(C)c2c(N)c(S(=O)(=O)c3ccccc3)sc2n1,0,0.0,
+Cc1cc(C)c2c(N=CN(C)C)c(C(=O)N3CCN(c4ncccn4)CC3)sc2n1,0,0.0,
+Cc1cc(C)c2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CSc1nncn1C,0,0.0,
+Cc1cc(C)c2c(c1)-c1cc(C)nn1C(c1ccc3c(c1)OCO3)N2,0,0.0,
+Cc1cc(C)c2c(c1)NC(=O)C2(O)CC(=O)c1cccs1,0,0.0,
+Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)NCc3ccco3)n12,0,0.0,
+Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)Nc3cc(C)on3)n12,0,0.0,
+Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCC1=CCCCC1,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(-n3ccnc3)cc(C)nc21,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(C)c(CCC(=O)NCc3ccco3)c(C)nc21,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(C3CC3)cc(C(F)(F)F)nc21,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(N3CCN(Cc4ccccc4)CC3)cc(C)nc21,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(N3CCN(c4cccc(Cl)c4)CC3)cc(C)nc21,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(N3CCN(c4ccccc4)CC3)cc(C)nc21,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(N3CCN(c4ccccc4C)CC3)cc(C)nc21,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(N3CCN(c4ccccn4)CC3)cc(C)nc21,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(N3CCOCC3)cc(C)nc21,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(NCCCN(C)C)cc(C)nc21,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(NCCCN3CCOCC3)cc(C)nc21,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(NCCCn3ccnc3)cc(C)nc21,1,100.0,
+Cc1cc(C)c2c(n1)nn1c(NCCN3CCOCC3)cc(C)nc21,0,0.0,
+Cc1cc(C)c2c(n1)nn1c(NCCOCCO)cc(C)nc21,0,0.0,
+Cc1cc(C)c2c(n1)sc1c(N3CCN(CCO)CC3)ncnc12,0,0.0,
+Cc1cc(C)c2c(n1)sc1c(N3CCOCC3)ncnc12,0,0.0,
+Cc1cc(C)c2c(n1)sc1c(O)cc(=O)[nH]c12,0,0.0,
+Cc1cc(C)c2c3c(c(-c4ccccc4)n2n1)c(=O)n(C)c(=O)n3C,0,0.0,
+Cc1cc(C)c2c3c(sc2n1)C(=O)N(C)CC(=O)N3,0,0.0,
+Cc1cc(C)c2c3c(sc2n1)C1(CCSCC1)C(C#N)=C(N)O3,0,0.0,
+Cc1cc(C)c2cc(C#N)c(N3CCCC3)nc2c1,0,0.0,
+Cc1cc(C)c2cc(C#N)c(NCCCNC(=O)CCC(=O)O)nc2c1,0,0.0,
+Cc1cc(C)c2cc(C#N)c(SCC(=O)NCC3CCCO3)nc2c1,0,0.0,
+Cc1cc(C)c2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1,0,0.0,
+Cc1cc(C)c2cc(C(O)c3nnnn3Cc3ccccc3)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc(C(c3nnnn3C3CCCC3)N3CCOCC3)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc(C(c3nnnn3CC3CCCO3)N3CCN4CCCC4C3)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc(CN(CC3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1,1,100.0,0.0
+Cc1cc(C)c2cc(CN(CC3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc(CN(CCO)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc(CN(CCO)C(c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc(CN(CCO)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc(CN(CCO)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)c(=O)[nH]c2c1,0,0.0,
+Cc1cc(C)c2cc3c(ccn3C3OC[C@H](O)[C@H](O)[C@H]3O)cc2n1,0,0.0,
+Cc1cc(C)c2ccc(C)[n+]([O-])c2c1O,0,0.0,
+Cc1cc(C)c2ccc(N)nc2c1O,0,0.0,
+Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)NCc3ccco3)c2c1,0,0.0,
+Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3cc(C)on3)c2c1,0,0.0,
+Cc1cc(C)c2nc(C(F)(F)F)nc(N3CC(C)OC(C)C3)c2c1,0,0.0,
+Cc1cc(C)c2nc(C(F)(F)F)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1,0,0.0,
+Cc1cc(C)c2nc(C(F)(F)F)nc(NCCCN3CCCC3=O)c2c1,0,0.0,
+Cc1cc(C)c2nc(N)sc2c1,0,0.0,
+Cc1cc(C)c2nc(N3CCC(C(=O)N4CCCC4)CC3)sc2c1,1,100.0,1.0
+Cc1cc(C)c2nc(N3CCC(C(=O)N4CCN(c5ncccn5)CC4)CC3)sc2c1,0,0.0,
+Cc1cc(C)c2nc(N3CCCC(C(=O)N4CCC(C(N)=O)CC4)C3)sc2c1,0,0.0,
+Cc1cc(C)c2nc(N3CCCC(C(=O)NCCN4CCOCC4)C3)sc2c1,0,0.0,
+Cc1cc(C)c2nc(N3CCCC3)c(C#N)cc2c1,0,0.0,
+Cc1cc(C)c2nc(N3CCCN(C(=O)c4ccco4)CC3)c(C#N)cc2c1,0,0.0,
+Cc1cc(C)c2nc(N3CCCN(C(=O)c4cnccn4)CC3)c(C#N)cc2c1,0,0.0,
+Cc1cc(C)c2nc(N3CCN(C)CC3)c(C#N)cc2c1,0,0.0,
+Cc1cc(C)c2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1,0,0.0,
+Cc1cc(C)c2nc(Nc3nc(C)cc(=O)[nH]3)nc(C)c2c1,0,0.0,
+Cc1cc(C)c2nc(SCC#N)cc(C)c2c1,0,0.0,
+Cc1cc(C)c2nc(SCC(=O)N3CCCCC3)c(C#N)cc2c1,0,0.0,
+Cc1cc(C)c2nc(SCCC#N)nc(C)c2c1,0,0.0,
+Cc1cc(C)c2nc3c(c(C(=O)O)c2c1)CCC3,0,0.0,
+Cc1cc(C)c2nc3s/c(=C/c4ccc5c(c4)n(C)c(=O)n5C)c(=O)n3c2c1,0,0.0,
+Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1,0,0.0,
+Cc1cc(C)c2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1,0,0.0,
+Cc1cc(C)c2oc(=O)cc(CN3CCOCC3)c2c1,0,0.0,
+Cc1cc(C)cc(-c2nc(-c3ccncc3)no2)c1,0,0.0,
+Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)o2)c1,0,0.0,
+Cc1cc(C)cc(-c2nnc(SCC(=O)NCc3cccs3)o2)c1,0,0.0,
+Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)c1,0,0.0,
+Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)c1,0,0.0,
+Cc1cc(C)cc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1,0,0.0,
+Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1,0,0.0,
+Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2nccs2)c1,0,0.0,
+Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)c1,0,0.0,
+Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)c1,0,0.0,
+Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccccc3)c2N)c1,0,0.0,
+Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccccc3Cl)c2N)c1,0,0.0,
+Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccco3)c2N)c1,0,0.0,
+Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1,0,0.0,
+Cc1cc(C)cc(C(=O)/C=C2\NC(=O)CS2)c1,0,0.0,
+Cc1cc(C)cc(C(=O)N2CCC(C(N)=O)CC2)c1,0,0.0,
+Cc1cc(C)cc(C(=O)NCc2ccncc2)c1,0,0.0,
+Cc1cc(C)cc(C(=O)n2cnnc2N)c1,0,0.0,
+Cc1cc(C)cc(CC2CC(=O)N(c3cc(C)on3)C2=O)c1,0,0.0,
+Cc1cc(C)cc(CC2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)c1,0,0.0,
+Cc1cc(C)cc(CC2CC(=O)N(c3nc(C)cc(C)n3)C2=O)c1,0,0.0,
+Cc1cc(C)cc(CSc2nnc(C)c(=O)[nH]2)c1,0,0.0,
+Cc1cc(C)cc(N(C(=O)C2CCCC2)C2C=CS(=O)(=O)C2)c1,0,0.0,
+Cc1cc(C)cc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1,0,0.0,
+Cc1cc(C)cc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccncc2)c1,0,0.0,
+Cc1cc(C)cc(N(C(=O)c2ccc3c(c2)OCO3)C2C=CS(=O)(=O)C2)c1,0,0.0,
+Cc1cc(C)cc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)c1,0,0.0,
+Cc1cc(C)cc(N(C(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)N2CCn3c2nc2ccccc23)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)NC2CC3CCC2C3)S(C)(=O)=O)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2cc(C)ccn2)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)NCC2CCCO2)C(=O)CN2C(=O)COc3ccccc32)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2ccccn2)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1,0,0.0,
+Cc1cc(C)cc(N(CC(=O)Nc2cccc(C)n2)S(=O)(=O)c2c(C)noc2C)c1,0,0.0,
+Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3nc(C)cc(C)n3n2)c1,0,0.0,
+Cc1cc(C)cc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,0,0.0,
+Cc1cc(C)cc(N2C(=O)C3CC=CCC3C2=O)c1,0,0.0,
+Cc1cc(C)cc(N2C(=O)CC(N3CCOCC3)C2=O)c1,0,0.0,
+Cc1cc(C)cc(N2C(=O)CC(n3ccnc3)C2=O)c1,0,0.0,
+Cc1cc(C)cc(N2C(=O)CSC2c2cccs2)c1,0,0.0,
+Cc1cc(C)cc(N2C(=O)N(c3ccccc3C)C3CS(=O)(=O)CC32)c1,0,0.0,
+Cc1cc(C)cc(N2CC(C(=O)O)CC2=O)c1,0,0.0,
+Cc1cc(C)cc(N2CC(c3nc4ccccc4n3C)CC2=O)c1,0,0.0,
+Cc1cc(C)cc(N2CC34C=CC(O3)C(C(=O)OCC(=O)NCc3ccco3)C4C2=O)c1,0,0.0,
+Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)c1,0,0.0,
+Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1,0,0.0,
+Cc1cc(C)cc(N2CCN(C(=O)N3CCOCC3)CC2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)C2CCCC2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)C2CCCN(c3nccc(C)n3)C2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)C2CCN(c3nccs3)CC2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CCN2CC(C)OC(C)C2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CCn2ccnc2C)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)NCc2nnc(SCc3ccccc3)n2C)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2F)c1,0,0.0,
+Cc1cc(C)cc(NC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)c1,0,0.0,
+Cc1cc(C)cc(NC2=NC3(CCCCC3)N=C(N)N2)c1,0,0.0,
+Cc1cc(C)cc(NC2=NCC(=O)N2Cc2ccccc2)c1,0,0.0,
+Cc1cc(C)cc(NCC(=O)Nc2c(C)cccc2C)c1,0,0.0,
+Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1,0,0.0,
+Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccco4)c(=O)c3c2)c1,0,0.0,
+Cc1cc(C)cc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)c1,0,0.0,
+Cc1cc(C)cc(Nc2cc(C)nc3nc(C)nn23)c1,0,0.0,
+Cc1cc(C)cc(Nc2ccc(C(=O)O)cc2N)c1,0,0.0,
+Cc1cc(C)cc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c1,0,0.0,
+Cc1cc(C)cc(Nc2ncc3c(n2)CCCC3=O)c1,0,0.0,
+Cc1cc(C)cc(OC(=O)N2CCOCC2)c1,0,0.0,
+Cc1cc(C)cc(OCC(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1,0,0.0,
+Cc1cc(C)cc(OCC(=O)N2CCCCCC2)c1,0,0.0,
+Cc1cc(C)cc(OCC(=O)NC2=NCCS2)c1,0,0.0,
+Cc1cc(C)cc(OCC(=O)NCC2CCCO2)c1,0,0.0,
+Cc1cc(C)cc(OCC(=O)NCCN2CCOCC2)c1,0,0.0,
+Cc1cc(C)cc(OCC(=O)NCc2nc(-c3ccccc3)no2)c1,0,0.0,
+Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1,1,100.0,1.0
+Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,0,0.0,
+Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1,0,0.0,
+Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1,0,0.0,
+Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1,0,0.0,
+Cc1cc(C)cc(OCC(=O)Nc2nonc2NC(=O)COc2cc(C)cc(C)c2)c1,0,0.0,
+Cc1cc(C)cc(OCC(O)CN2C(=O)NC(C)(C)C2=O)c1,0,0.0,
+Cc1cc(C)cc(OCCCC(=O)O)c1,0,0.0,
+Cc1cc(C)cc(OCc2ccc(C(=O)O)o2)c1,0,0.0,
+Cc1cc(C)cc(OCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)c1,0,0.0,
+Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccccc3)o2)c1,0,0.0,
+Cc1cc(C)cc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)c1,0,0.0,
+Cc1cc(C)cc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)o2)c1,0,0.0,
+Cc1cc(C)cc(OCc2nnc(SCC(=O)c3ccccc3)o2)c1,0,0.0,
+Cc1cc(C)cc(Oc2ccc(N)cc2)c1,0,0.0,
+Cc1cc(C)n(-c2c(F)c(F)c(CN3CCCCC3)c(F)c2F)n1,1,100.0,0.0
+Cc1cc(C)n(-c2c(F)c(F)c(CN3CCOCC3)c(F)c2F)n1,0,0.0,
+Cc1cc(C)n(-c2cc(-c3ccccc3)nc(C)n2)n1,0,0.0,
+Cc1cc(C)n(-c2cc(=O)n(C)c(=O)n2C)n1,0,0.0,
+Cc1cc(C)n(-c2cc(C)c(C)cc2Br)n1,0,0.0,
+Cc1cc(C)n(-c2cc(N3CCOCC3)nc(-c3ccccc3)n2)n1,0,0.0,
+Cc1cc(C)n(-c2cc(N3CCOCC3)ncn2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(-n3ccnc3)nn2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)C(C#N)c3nc4ccccc4n3C)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)N3CCc4ccccc43)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)NC(C)C)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)NC3=NCCS3)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccn3)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3)cc2)n1,1,100.0,0.0
+Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NCc3ccco3)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3ccc(Br)s3)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)OCn3nnc4ccccc4c3=O)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(C(=O)Oc3ccc4c(c3)OCO4)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)n2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(Cl)c(C(=O)O)n2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)N3CCCCC3C)n2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)O,0,0.0,
+Cc1cc(C)n(-c2ccc(N3CCOCC3)nn2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc(OCC(=O)O)nn2)n1,0,0.0,
+Cc1cc(C)n(-c2ccc3cccc(NS(C)(=O)=O)c3n2)n1,0,0.0,
+Cc1cc(C)n(-c2cccc(Cl)c2)c(=O)c1C#N,0,0.0,
+Cc1cc(C)n(-c2cccc3cccnc23)n1,0,0.0,
+Cc1cc(C)n(-c2ccn(Cc3ccc(Cl)cc3Cl)c(=O)n2)n1,0,0.0,
+Cc1cc(C)n(-c2nc(-c3cccc(Cl)c3)cs2)n1,0,0.0,
+Cc1cc(C)n(-c2nc(-n3nc(C)cc3C)c3c4c(sc3n2)COC(C)(C)C4)n1,0,0.0,
+Cc1cc(C)n(-c2nc(C)nc(N)n2)n1,0,0.0,
+Cc1cc(C)n(-c2nc(C)nc(NCc3ccccc3)n2)n1,0,0.0,
+Cc1cc(C)n(-c2nc(C)nc3c2cnn3-c2ccccc2)n1,0,0.0,
+Cc1cc(C)n(-c2nc(C)nc3sc4c(c23)CCC(C)C4)n1,0,0.0,
+Cc1cc(C)n(-c2nc(NC(C)(C)C)nc(NC(C)(C)C)n2)n1,0,0.0,
+Cc1cc(C)n(-c2nc(NC(C)C)nc(NC(C)C)n2)n1,0,0.0,
+Cc1cc(C)n(-c2nc(NCC(C)O)c3c4c(sc3n2)CCCC4)n1,0,0.0,
+Cc1cc(C)n(-c2nc(NCC3CCCO3)c3c4c(sc3n2)COC(C)(C)C4)n1,0,0.0,
+Cc1cc(C)n(-c2nc(NCCCO)c3c4c(sc3n2)CCCC4)n1,0,0.0,
+Cc1cc(C)n(-c2nc(NCCO)c3c4c(sc3n2)CCCC4)n1,0,0.0,
+Cc1cc(C)n(-c2nc(NCc3cccnc3)c3c4c(sc3n2)COC(C)(C)C4)n1,0,0.0,
+Cc1cc(C)n(-c2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)n1,0,0.0,
+Cc1cc(C)n(-c2nc(SCC(=O)N3CCCC3)c3c4c(sc3n2)CCCC4)n1,1,100.0,0.0
+Cc1cc(C)n(-c2nc(SCC(=O)NCC3CCCO3)c3c4c(sc3n2)CCCC4)n1,0,0.0,
+Cc1cc(C)n(-c2nc(SCC(=O)Nc3nccs3)c3c4c(sc3n2)COC(C)(C)C4)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C(C)C)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(O)COc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(O)COc2ccccc2C)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(O)c2ccccc2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Br)c2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Br)c2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3[nH]c2=O)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OC2CCCCC2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(=O)N(C)C)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(=O)Nc2c(C)cccc2C)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(=O)OCc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCCOc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCc2ccc(F)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3c3nc(C)nn23)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3n3cnnc23)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3n3nnnc23)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3nc2N2CCCCCC2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccc(F)cc3)CC2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccccc3)CC2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3nc2N2CCOCC2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(CC(=O)O)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc3c(c2)OCO3)n1,0,0.0,
+Cc1cc(C)n(-c2nc3nonc3nc2-n2nc(C)cc2C)n1,0,0.0,
+Cc1cc(C)n(-c2nc3sc4c(c3c3nnc(SC(C)C)n23)CC(C)(C)OC4)n1,0,0.0,
+Cc1cc(C)n(-c2nc3sc4c(c3c3nnc(SCC(N)=O)n23)CC(C)(C)OC4)n1,0,0.0,
+Cc1cc(C)n(-c2ncc(-c3ccccc3)nn2)n1,0,0.0,
+Cc1cc(C)n(-c2ncnc3c2oc2ccccc23)n1,0,0.0,
+Cc1cc(C)n(-c2ncnc3sc(C)c(C)c23)n1,0,0.0,
+Cc1cc(C)n(-c2ncnc3sc4c(c23)CC(C)CC4)n1,0,0.0,
+Cc1cc(C)n(-c2ncnc3sc4c(c23)CCCC4)n1,0,0.0,
+Cc1cc(C)n(-c2nnc(C)c(=O)[nH]2)n1,0,0.0,
+Cc1cc(C)n(-c2nnc(C)n2/N=C/c2cc(Br)ccc2OCc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccccc2F)n1,0,0.0,
+Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccccc2OCc2ccccc2Cl)n1,0,0.0,
+Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccco2)n1,0,0.0,
+Cc1cc(C)n(-c2nnc(C)n2N)n1,0,0.0,
+Cc1cc(C)n(-c2nnc(C)n2NS(=O)(=O)c2ccc(F)cc2)n1,0,0.0,
+Cc1cc(C)n(-c2nnc(C)n2NS(C)(=O)=O)n1,0,0.0,
+Cc1cc(C)n(-c2nnc3n2N=C(c2c[nH]c4ccccc24)CS3)n1,0,0.0,
+Cc1cc(C)n(-c2nnc3n2N=C(c2ccccc2)CS3)n1,0,0.0,
+Cc1cc(C)n(-c2nncn2/N=C/c2ccccc2F)n1,1,100.0,0.0
+Cc1cc(C)n(-c2nncn2NC(=O)c2ccc(Cl)cc2O)n1,0,0.0,
+Cc1cc(C)n(/N=C/c2c[nH]c3ccccc23)c(=O)c1,0,0.0,
+Cc1cc(C)n(/N=C/c2cccc(O)c2)c(=O)c1C(N)=O,0,0.0,
+Cc1cc(C)n(/N=C/c2ccccc2)c(=O)c1C#N,0,0.0,
+Cc1cc(C)n(C(=O)C(C)N2C(=O)c3ccccc3C2=O)n1,0,0.0,
+Cc1cc(C)n(C(=O)C23CC4CC(CC(C4)C2)C3)n1,0,0.0,
+Cc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1,0,0.0,
+Cc1cc(C)n(C(=O)CCC(=O)NCc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(C(=O)CCC2COc3ccccc3O2)n1,0,0.0,
+Cc1cc(C)n(C(=O)CCCC(=O)n2nc(C)cc2C)n1,0,0.0,
+Cc1cc(C)n(C(=O)CCCCCC(=O)n2nc(C)cc2C)n1,0,0.0,
+Cc1cc(C)n(C(=O)CCN2C(=O)c3ccccc3C2=O)n1,0,0.0,
+Cc1cc(C)n(C(=O)CCNC(=O)c2ccccc2Br)n1,0,0.0,
+Cc1cc(C)n(C(=O)CN2C(=O)CCC2=O)n1,0,0.0,
+Cc1cc(C)n(C(=O)CN2C(=O)COc3ccccc32)n1,0,0.0,
+Cc1cc(C)n(C(=O)CN2C(=O)c3ccccc3C2=O)n1,0,0.0,
+Cc1cc(C)n(C(=O)CNC(=O)C2COc3ccccc3O2)n1,0,0.0,
+Cc1cc(C)n(C(=O)CNC(=O)CCc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(C(=O)CNC(=O)COc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(C(=O)CNC(=O)Cc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(C(=O)CNC(=O)c2ccc3c(c2)OCCO3)n1,0,0.0,
+Cc1cc(C)n(C(=O)CNC(=O)c2ccco2)n1,0,0.0,
+Cc1cc(C)n(C(=O)CNC(=O)c2cccs2)n1,0,0.0,
+Cc1cc(C)n(C(=O)CNc2cccc(Cl)c2C)n1,0,0.0,
+Cc1cc(C)n(C(=O)COc2c(C)cccc2C)n1,0,0.0,
+Cc1cc(C)n(C(=O)CSc2nc3ccccc3o2)n1,0,0.0,
+Cc1cc(C)n(C(=O)CSc2nnc(SCC(=O)n3nc(C)cc3C)s2)n1,0,0.0,
+Cc1cc(C)n(C(=O)Cc2cn3ccsc3n2)n1,0,0.0,
+Cc1cc(C)n(C(=O)c2cc3ccccc3c(=O)o2)n1,1,100.0,0.0
+Cc1cc(C)n(C(=O)c2cc3sccc3[nH]2)n1,0,0.0,
+Cc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n1,0,0.0,
+Cc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n1,0,0.0,
+Cc1cc(C)n(C(=O)c2ccc(NC(=O)C3CC3)cc2)n1,0,0.0,
+Cc1cc(C)n(C(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)n1,0,0.0,
+Cc1cc(C)n(C(=O)c2ccc(NC(=O)CC(C)C)cc2)n1,0,0.0,
+Cc1cc(C)n(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1,0,0.0,
+Cc1cc(C)n(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)n1,0,0.0,
+Cc1cc(C)n(C(=O)c2ccc3c(c2)NC(=O)CO3)n1,0,0.0,
+Cc1cc(C)n(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1,0,0.0,
+Cc1cc(C)n(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1,0,0.0,
+Cc1cc(C)n(C(=O)c2ccncc2)n1,0,0.0,
+Cc1cc(C)n(C(C)n2nc(C)cc2C)n1,0,0.0,
+Cc1cc(C)n(C(CC(=O)N2CCc3ccccc3C2)C(=O)O)n1,0,0.0,
+Cc1cc(C)n(C(CC(=O)O)C(=O)O)n1,0,0.0,
+Cc1cc(C)n(C/C=C/Cn2nc(C)cc2C)n1,0,0.0,
+Cc1cc(C)n(C2=NS(=O)(=O)c3ccccc32)n1,0,0.0,
+Cc1cc(C)n(C2CCCCC2OC(=O)c2ccccc2)n1,0,0.0,
+Cc1cc(C)n(CC(=O)N(C2CCCCC2)C2CCCCC2)n1,0,0.0,
+Cc1cc(C)n(CC(=O)N2c3ccccc3Sc3ccccc32)n1,0,0.0,
+Cc1cc(C)n(CC(=O)NC2CCCCC2)n1,0,0.0,
+Cc1cc(C)n(CC(=O)NCc2cc(-c3nn(C)c(=O)c4ccccc34)ccc2C)n1,0,0.0,
+Cc1cc(C)n(CC(=O)O)n1,0,0.0,
+Cc1cc(C)n(CC(=O)c2ccccc2)c(=O)c1C#N,0,0.0,
+Cc1cc(C)n(CC(=O)n2c3c(c4ccccc42)CCCC3)n1,0,0.0,
+Cc1cc(C)n(CC(=O)n2nc(C)cc2C)n1,0,0.0,
+Cc1cc(C)n(CC(O)CN2C(=O)NC(C)(C)C2=O)n1,0,0.0,
+Cc1cc(C)n(CC(O)CN2c3ccccc3Sc3ccccc32)n1,0,0.0,
+Cc1cc(C)n(CC(O)COCc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(CC(O)COCc2ccco2)n1,0,0.0,
+Cc1cc(C)n(CC(O)COc2cccc(OCC(O)Cn3nc(C)cc3C)c2)n1,0,0.0,
+Cc1cc(C)n(CC(O)COc2ccccc2C(=O)Nc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(CC(O)Cn2c3ccccc3c3ccccc32)c(=O)n1,0,0.0,
+Cc1cc(C)n(CC2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)n1,0,0.0,
+Cc1cc(C)n(CC2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)n1,0,0.0,
+Cc1cc(C)n(CC2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)n1,1,100.0,0.0
+Cc1cc(C)n(CC2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)n1,0,0.0,
+Cc1cc(C)n(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)n1,0,0.0,
+Cc1cc(C)n(CCCNC(=O)c2ccc3c(c2)NC(=O)CS3)n1,0,0.0,
+Cc1cc(C)n(CCCNCC(O)c2ccccc2)n1,0,0.0,
+Cc1cc(C)n(CCO)c(=O)n1,0,0.0,
+Cc1cc(C)n(CCOC(=O)C2C(C=C(Cl)Cl)C2(C)C)n1,0,0.0,
+Cc1cc(C)n(CCOC(=O)c2sc3ccccc3c2Cl)n1,0,0.0,
+Cc1cc(C)n(CCOc2ccc(Cl)cc2Cl)n1,0,0.0,
+Cc1cc(C)n(CCOc2nonc2N)n1,0,0.0,
+Cc1cc(C)n(CCc2nc(-c3cc4ccccc4o3)cs2)n1,0,0.0,
+Cc1cc(C)n(CCc2nc(-c3ccc(Cl)s3)cs2)n1,0,0.0,
+Cc1cc(C)n(CCc2nc(-c3cccs3)cs2)n1,0,0.0,
+Cc1cc(C)n(CCc2nc3c4ccccc4n(CC(=O)Nc4ccc(Cl)cc4F)c(=O)n3n2)n1,0,0.0,
+Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCc4ccc(C#N)cc4)n3n2)n1,0,0.0,
+Cc1cc(C)n(CCn2nc(C)cc2C)n1,0,0.0,
+Cc1cc(C)n(CNc2nc(C(F)(F)F)cs2)n1,0,0.0,
+Cc1cc(C)n(Cc2cc(C)c(Cn3nc(C)cc3C)cc2C)n1,0,0.0,
+Cc1cc(C)n(Cc2ccc(C(=O)NCCC3=CCCCC3)o2)n1,0,0.0,
+Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccco3)o2)n1,0,0.0,
+Cc1cc(C)n(Cc2ccc(C(=O)O)o2)n1,0,0.0,
+Cc1cc(C)n(Cc2ccc(F)cc2)c(=O)c1C#N,0,0.0,
+Cc1cc(C)n(Cc2cccc(F)c2)c(=O)c1C#N,0,0.0,
+Cc1cc(C)n(Cc2ccccc2Cl)n1,0,0.0,
+Cc1cc(C)n(Cc2ccccc2F)c(=O)c1C#N,0,0.0,
+Cc1cc(C)n(Cc2nc3ccccc3n2C)n1,0,0.0,
+Cc1cc(C)n(S(=O)(=O)/C=C/c2ccccc2)n1,0,0.0,
+Cc1cc(C)n(S(=O)(=O)Cc2ccccc2)n1,0,0.0,
+Cc1cc(C)n(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)n1,1,100.0,
+Cc1cc(C)n(S(=O)(=O)c2cc(C)c(C)cc2C)n1,0,0.0,
+Cc1cc(C)n(S(=O)(=O)c2cc(Cl)ccc2Cl)n1,0,0.0,
+Cc1cc(C)n(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1,1,100.0,1.0
+Cc1cc(C)n(S(=O)(=O)c2ccc(C)c(C)c2C)n1,0,0.0,
+Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)n1,0,0.0,
+Cc1cc(C)n(S(=O)(=O)c2ccc3ccccc3c2)n1,0,0.0,
+Cc1cc(C)n(S(=O)(=O)c2cccc(Cl)c2Cl)n1,0,0.0,
+Cc1cc(C)n2c(=S)[nH]nc2n1,0,0.0,
+Cc1cc(C)n2c(Br)c(CN3CC4CC(C3)c3cccc(=O)n3C4)nc2n1,0,0.0,
+Cc1cc(C)n2c(Br)c(CSc3nc4ccccc4o3)nc2n1,0,0.0,
+Cc1cc(C)n2c(SC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)nnc2n1,0,0.0,
+Cc1cc(C)n2c(SCC#N)nnc2n1,0,0.0,
+Cc1cc(C)n2c(SCC(=O)N(C)C3CCS(=O)(=O)C3)nnc2n1,0,0.0,
+Cc1cc(C)n2c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nnc2n1,0,0.0,
+Cc1cc(C)n2c(SCC(=O)NCc3ccco3)nnc2n1,0,0.0,
+Cc1cc(C)n2c(SCC(=O)Nc3cc(C)on3)nnc2n1,0,0.0,
+Cc1cc(C)n2c(SCC(=O)Nc3ccccc3)nnc2n1,0,0.0,
+Cc1cc(C)n2c(SCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)nnc2n1,0,0.0,
+Cc1cc(C)n2c(SCCC(C)C)nnc2n1,0,0.0,
+Cc1cc(C)n2c(SCCN3C(=O)c4ccccc4C3=O)nnc2n1,0,0.0,
+Cc1cc(C)n2c(SCc3c(C)noc3C)nnc2n1,0,0.0,
+Cc1cc(C)n2c(SCc3ccc(C#N)cc3)nnc2n1,0,0.0,
+Cc1cc(C)n2c(SCc3cccs3)nnc2n1,0,0.0,
+Cc1cc(C)n2c3c(c(C#N)c2n1)CC(C)(C)OC3,0,0.0,
+Cc1cc(C)n2c3c(c(C#N)c2n1)CCCC3,0,0.0,
+Cc1cc(C)n2cc(CSC3=NCCS3)nc2n1,0,0.0,
+Cc1cc(C)n2cc(CSCc3ccco3)nc2n1,0,0.0,
+Cc1cc(C)n2cc(CSc3nc4cc(Cl)ccc4o3)nc2n1,0,0.0,
+Cc1cc(C)n2cc(CSc3ncccc3C(=O)O)nc2n1,0,0.0,
+Cc1cc(C)n2cc(CSc3nnc(-c4ccccc4)o3)nc2n1,0,0.0,
+Cc1cc(C)n2cc(CSc3nnc(N)s3)nc2n1,0,0.0,
+Cc1cc(C)n2cc(CSc3nnnn3-c3ccc(Cl)cc3)nc2n1,0,0.0,
+Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3)nc2n1,0,0.0,
+Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3C)nc2n1,0,0.0,
+Cc1cc(C)n2cc(CSc3nnnn3C)nc2n1,0,0.0,
+Cc1cc(C)n2nc(-c3cccnc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(C(=O)N3CCOCC3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(C(=O)NCc3ccccc3)cc2n1,0,0.0,
+Cc1cc(C)n2nc(C(=O)NCc3ccco3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCO4)nc2n1,0,0.0,
+Cc1cc(C)n2nc(C(=O)Nc3ccccc3N3CCOCC3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(C(=O)Nc3cccnc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)nc2n1,0,0.0,
+Cc1cc(C)n2nc(C(=O)OCC(=O)c3cc(C)n(C)c3C)nc2n1,0,0.0,
+Cc1cc(C)n2nc(C(=O)OCCOc3ccc(Br)cc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(C(=O)OCCOc3ccc(F)cc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(C(=O)OCCOc3cccc(Br)c3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(C(=O)Oc3ccc4c(c3)OCO4)nc2n1,0,0.0,
+Cc1cc(C)n2nc(C)[n+](C)c2n1.[O-][Cl+3]([O-])([O-])[O-],0,0.0,
+Cc1cc(C)n2nc(CC(=O)NC3CCCC(C)C3C)nc2n1,0,0.0,
+Cc1cc(C)n2nc(CC(=O)NC3CCCCCC3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(CC(=O)NC3CCCCCCC3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(CCc3nc4nc(C)cc(C)n4n3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(Cc3ccccc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(NCc3cccc(Br)c3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(NCc3ccccc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(Nc3ccccc3)cc2n1,0,0.0,
+Cc1cc(C)n2nc(S(=O)(=O)N(C)Cc3ccccc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(S(=O)(=O)N(C)c3ccccc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(S(=O)(=O)N(CC(C)C)CC(C)C)nc2n1,0,0.0,
+Cc1cc(C)n2nc(S(=O)(=O)NC3CCCCC3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(S(=O)(=O)NCCc3ccccc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SC(C)C(=O)N3CCC4(CC3)OCCO4)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SC(C)C(=O)NCc3ccco3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SC3CCCCN(C(=O)c4ccc(F)cc4)C3=O)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCC#N)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCC(=O)N(C(C)C)C(C)C)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCC(=O)N(C)Cc3ccccc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCC(=O)N(C)c3ccccc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCC(=O)N3CCC4(CC3)OCCO4)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCC(=O)NCc3ccco3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCC(=O)Nc3ccc(F)cc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCC(=O)c3cc(C)n(-c4cc(C)on4)c3C)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCC(=O)c3ccc[nH]3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCC(=O)c3ccccc3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCC3COc4ccccc4O3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCN3C(=O)c4ccccc4C3=O)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCc3cc(=O)n4c(C)cccc4n3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCc3cc(=O)n4ccccc4n3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCc3nc4ccccc4[nH]3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCc3ncc(-c4ccccc4)o3)nc2n1,0,0.0,
+Cc1cc(C)n2nc(SCn3nnc4ccccc4c3=O)nc2n1,0,0.0,
+Cc1cc(C)n2nc3ccccc3c2n1,0,0.0,
+Cc1cc(C)n2nc3nc(N4CCCC4)nc(-c4ccccc4)c3c2n1,0,0.0,
+Cc1cc(C)n2nc3nc(N4CCCCC4)nc(-c4ccco4)c3c2n1,0,0.0,
+Cc1cc(C)n2nc3nc4c(cc3c2n1)CCCC4,0,0.0,
+Cc1cc(C)n2nc[n+](C)c2n1,0,0.0,
+Cc1cc(C)n2ncc(C(=O)NCc3cccnc3)c2n1,0,0.0,
+Cc1cc(C)n2ncc(C(=O)Nc3ccc4c(c3)OCO4)c2n1,0,0.0,
+Cc1cc(C)n2nnnc2c1C#N,0,0.0,
+Cc1cc(C)nc(-n2c(Nc3ccccc3)cc(=O)c3c(C)n(-c4ccccc4)c(=O)nc32)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)c(C3(O)C(=O)Nc4ccc(F)cc43)c2N)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)c(C3(O)C(=O)Nc4ccccc43)c2N)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)c(Oc3ccccc3O)c2C)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)c(Sc3ccc(F)cc3)c2N)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)c3c(=O)[nH]c(C(F)(F)F)nc32)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)c3c(C(F)F)cc(C)nc32)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC(C)CC2)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCCC(C)C2)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCc3ccccc3C2)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)CCC(=O)c2cccs2)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cc(=O)c3ccccc3o2)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cc3ccccc3oc2=O)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(Br)o2)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc3c(c2)OCO3)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1,0,0.0,
+Cc1cc(C)nc(-n2nc(C)cc2Nc2ccccc2)n1,0,0.0,
+Cc1cc(C)nc(/N=C(\N)C2=C(O)CC(C)(C)CC2=O)n1,0,0.0,
+Cc1cc(C)nc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)n1,0,0.0,
+Cc1cc(C)nc(/N=C2/NC(=O)CS2)n1,0,0.0,
+Cc1cc(C)nc(/N=C2\NC(=O)CC(C(=O)O)N2CCc2c[nH]c3ccccc23)n1,0,0.0,
+Cc1cc(C)nc(/N=C2\NC(=O)CC(C(=O)O)N2c2ccc(Cl)cc2)n1,0,0.0,
+Cc1cc(C)nc(/N=C2\NC(=O)CC(C(=O)O)N2c2ccc(Oc3ccccc3)cc2)n1,0,0.0,
+Cc1cc(C)nc(/N=c2/ssnc2Cl)c1,0,0.0,
+Cc1cc(C)nc(CC(N)=O)n1,0,0.0,
+Cc1cc(C)nc(N(C#N)CC(=O)N(c2ccccc2)C(C)C)n1,0,0.0,
+Cc1cc(C)nc(N(C#N)CC(=O)N2CCC(C(N)=O)CC2)n1,0,0.0,
+Cc1cc(C)nc(N(C#N)CC(=O)Nc2ccccc2)n1,0,0.0,
+Cc1cc(C)nc(N(C#N)CC(=O)c2ccccc2)n1,0,0.0,
+Cc1cc(C)nc(N(C#N)CCOc2ccccc2)n1,0,0.0,
+Cc1cc(C)nc(N(C#N)CN2C(=O)c3ccccc3C2=O)n1,0,0.0,
+Cc1cc(C)nc(N(C#N)CN2C(=O)c3ccccc3S2(=O)=O)n1,0,0.0,
+Cc1cc(C)nc(N(C#N)Cc2ccc(Br)cc2)n1,0,0.0,
+Cc1cc(C)nc(N(C#N)Cc2ccccc2)n1,0,0.0,
+Cc1cc(C)nc(N(C#N)Cc2ccccc2Cl)n1,0,0.0,
+Cc1cc(C)nc(N(C#N)S(=O)(=O)c2ccccc2)n1,0,0.0,
+Cc1cc(C)nc(N(C#N)S(=O)(=O)c2ccccc2Cl)n1,0,0.0,
+Cc1cc(C)nc(N2C(=O)CC(C(=O)O)NC2=NCCc2c[nH]c3ccccc23)n1,0,0.0,
+Cc1cc(C)nc(N2C(=O)CC(C(C)c3ccccc3)C2=O)n1,0,0.0,
+Cc1cc(C)nc(N2C(=O)CC(Cc3ccccc3)C2=O)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)NC3CCCc4ccccc43)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)NCC3CCCCC3)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)NCCc3ccccc3)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)NCCc3ccccc3F)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)NCc3ccco3)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)NCc3cccs3)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)Nc3nnc(C)s3)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(C(=O)O)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCC(CNC(=O)CCc3ccccc3)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)NC(C)CCc3ccco3)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)NC3CCCC3)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)NCCC3=CCCCC3)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)NCCc3ccc(F)cc3)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)NCCc3cccc(F)c3)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)NCCc3ccccc3F)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)NCc3cccc(C(F)(F)F)c3)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)NCc3cccs3)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)Nc3ccc4c(c3)OCO4)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)Nc3ccc4nc(C)c(C)nc4c3)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C)s3)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCCC(C(=O)O)C2)n1,0,0.0,
+Cc1cc(C)nc(N2CCN(c3nc(C)cc(C)n3)CC2)n1,1,100.0,0.0
+Cc1cc(C)nc(N2CCN(c3nc(C)nc4c3oc3ccccc34)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCN(c3ncnc4c3cnn4Cc3ccc(Cl)cc3Cl)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)n1,0,0.0,
+Cc1cc(C)nc(N2CCN(c3nnnn3-c3ccccc3)CC2)n1,0,0.0,
+Cc1cc(C)nc(NC(=NCCc2c[nH]c3ccccc23)NC(=O)c2ccco2)n1,0,0.0,
+Cc1cc(C)nc(NC(=NCc2ccc3c(c2)OCO3)NC(=O)Nc2ccccc2)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)CCCC(=O)O)c1,0,0.0,
+Cc1cc(C)nc(NC(=O)CN2C(=O)c3ccccc3C2=O)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)CSc2ccccn2)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)CSc2nn(C)c(=S)s2)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)CSc2nnnn2-c2ccccc2)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)Cc2cccs2)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)NS(=O)(=O)N2CCCCCC2)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)NS(=O)(=O)Nc2ccc(Br)cn2)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)Nc2ccccc2C(F)(F)F)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)c2cc3ccccc3o2)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)c2ccc(OC(C)C)cc2)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)c2cccc(Cl)c2)n1,0,0.0,
+Cc1cc(C)nc(NC(=O)c2cnc3sccn3c2=O)n1,0,0.0,
+Cc1cc(C)nc(NC2=NC3CCCCC3N2)n1,0,0.0,
+Cc1cc(C)nc(NC2=NCC(=O)N2CCc2c[nH]c3ccccc23)n1,0,0.0,
+Cc1cc(C)nc(NC2=NCC(=O)N2c2cc(Cl)cc(Cl)c2)n1,0,0.0,
+Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc(Cl)cc2)n1,0,0.0,
+Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc(F)c(Cl)c2)n1,0,0.0,
+Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc3c(c2)OCCO3)n1,0,0.0,
+Cc1cc(C)nc(NC2=NCC(=O)N2c2cccc(Cl)c2)n1,0,0.0,
+Cc1cc(C)nc(NC2=NCC(=O)N2c2ccccc2)n1,0,0.0,
+Cc1cc(C)nc(NC2=NCC(=O)N2c2ccccc2Br)n1,0,0.0,
+Cc1cc(C)nc(NC2=NCCN2C(=O)NC2CCCCC2)n1,0,0.0,
+Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)n1,1,100.0,0.0
+Cc1cc(C)nc(NC2=NCN(Cc3ccccc3)CN2Cc2ccccc2)n1,1,100.0,1.0
+Cc1cc(C)nc(NCC(O)CNc2ccccc2Cl)n1,0,0.0,
+Cc1cc(C)nc(NCC(O)COc2ccccc2C)n1,0,0.0,
+Cc1cc(C)nc(NCCCN2CCOCC2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3cccc3)cc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(Br)cc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(Br)s2)c1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)C4CC=C(Cl)CC4C3=O)cc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCC3COc4ccccc4O3)cc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2ccccc2)n1,0,0.0,
+Cc1cc(C)nc(NS(=O)(=O)c2cccs2)c1,0,0.0,
+Cc1cc(C)nc(Nc2ccc(N3CCCC3)cc2)n1,0,0.0,
+Cc1cc(C)nc(Nc2ccc(N3CCOCC3)cc2)n1,0,0.0,
+Cc1cc(C)nc(Nc2ccccc2Br)n1,0,0.0,
+Cc1cc(C)nc(Nc2n[nH]c(-c3ccccc3Br)n2)n1,0,0.0,
+Cc1cc(C)nc(Nc2n[nH]c(COc3ccc(Cl)cc3)n2)n1,0,0.0,
+Cc1cc(C)nc(Nc2n[nH]c(COc3ccccc3)n2)n1,0,0.0,
+Cc1cc(C)nc(Nc2n[nH]c(Cc3ccccc3)n2)n1,0,0.0,
+Cc1cc(C)nc(Nc2nc(=O)c3ccccc3s2)n1,0,0.0,
+Cc1cc(C)nc(Nc2nc(C)c3cc4c(cc3n2)OCO4)n1,0,0.0,
+Cc1cc(C)nc(Nc2nc3ccccc3[nH]2)n1,0,0.0,
+Cc1cc(C)nc(Nc2ncc(O)n2-c2ccc(C)c(Cl)c2)n1,0,0.0,
+Cc1cc(C)nc(SC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1,0,0.0,
+Cc1cc(C)nc(SC(C)C(=O)O)n1,0,0.0,
+Cc1cc(C)nc(SC2=CS(=O)(=O)c3ccccc32)n1,0,0.0,
+Cc1cc(C)nc(SC2CCCCC2O)n1,0,0.0,
+Cc1cc(C)nc(SC2CCOC2=O)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)N2CCC(C(N)=O)CC2)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)N2CCCCC2)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)N2CCOCC2)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)NCc2ccco2)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)Nc2ccc(Br)cn2)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)Nn2cnnc2)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)O)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)OCN2C(=O)c3ccccc3C2=O)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)Oc2ccc3oc(=O)cc(C)c3c2)n1,1,100.0,0.0
+Cc1cc(C)nc(SCC(=O)c2cc3ccccc3oc2=O)n1,0,0.0,
+Cc1cc(C)nc(SCC(=O)c2ccc(O)cc2O)n1,0,0.0,
+Cc1cc(C)nc(SCC2COc3ccccc3O2)n1,0,0.0,
+Cc1cc(C)nc(SCCC(=O)N(C)C)n1,0,0.0,
+Cc1cc(C)nc(SCCC(=O)N2CCOCC2)n1,0,0.0,
+Cc1cc(C)nc(SCCCn2c(=O)[nH]c3ccccc32)n1,0,0.0,
+Cc1cc(C)nc(SCCS(=O)(=O)Cc2ccccc2)n1,0,0.0,
+Cc1cc(C)nc(SCC[S+]([O-])Cc2ccc(Cl)cc2)n1,0,0.0,
+Cc1cc(C)nc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1,0,0.0,
+Cc1cc(C)nc(SCCn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)n1,0,0.0,
+Cc1cc(C)nc(SCNC(=O)c2ccc(F)cc2)n1,0,0.0,
+Cc1cc(C)nc(SCNC(=O)c2ccccc2)n1,0,0.0,
+Cc1cc(C)nc(SCSc2nc(C)cc(C)n2)n1,0,0.0,
+Cc1cc(C)nc(SCc2ccc(C(=O)O)o2)n1,0,0.0,
+Cc1cc(C)nc(SCc2ccc3nonc3c2)n1,0,0.0,
+Cc1cc(C)nc(SCc2cccc(C(=O)O)c2)n1,0,0.0,
+Cc1cc(C)nc(SCc2ccccc2C#N)n1,0,0.0,
+Cc1cc(C)nc(SCc2csc(N)n2)n1,0,0.0,
+Cc1cc(C)nc(SCc2n[nH]c(=S)n2C)n1,0,0.0,
+Cc1cc(C)nc(SCc2nc(N)nc(-c3ccccc3O)n2)n1,0,0.0,
+Cc1cc(C)nc(SCc2nc3ccccc3n2C)n1,0,0.0,
+Cc1cc(C)nc(SCc2nnc(SCC#N)n2-c2cccc(Cl)c2)n1,0,0.0,
+Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCc4ccccc43)n2C)n1,0,0.0,
+Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)n1,0,0.0,
+Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCOCC3)o2)n1,0,0.0,
+Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2Cc2ccco2)n1,0,0.0,
+Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)n1,0,0.0,
+Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)n1,0,0.0,
+Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccccc3C)n2Cc2ccco2)n1,0,0.0,
+Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ncc(C)s3)n2Cc2ccco2)n1,0,0.0,
+Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3nccs3)n2Cc2ccco2)n1,0,0.0,
+Cc1cc(C)nc(SCc2nnc(SCc3ccccc3Cl)o2)n1,1,100.0,0.0
+Cc1cc(C)nc(Sc2c(C)n[nH]c2C)n1,0,0.0,
+Cc1cc(C)nc(Sc2c(C)nn(-c3ccccc3)c2C)n1,0,0.0,
+Cc1cc(C)nc(Sc2ccc3nnc(C(F)(F)C(F)(F)C(F)(F)F)n3n2)n1,0,0.0,
+Cc1cc(C)nc(Sc2ccc3nnnn3n2)n1,0,0.0,
+Cc1cc(C)nc(Sc2nc(C)nc3c2oc2ccccc23)n1,0,0.0,
+Cc1cc(C2=CC(C)(c3cc(C)oc3C)Nc3nc(C(F)(F)F)nn32)c(C)o1,0,0.0,
+Cc1cc(C2C(=O)C(C(=O)c3ccc(Cl)cc3)C(=O)CC2(C)C)on1,0,0.0,
+Cc1cc(C2C(=O)CC(=O)CC2c2ccccc2)on1,0,0.0,
+Cc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)c(C)s1,0,0.0,
+Cc1cc(C2N=C(N)Nc3nc4ccccc4n32)c(C)n1-c1ccccc1Cl,0,0.0,
+Cc1cc(CC(=O)O)c(C)cc1CC(=O)O,0,0.0,
+Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2OCC(=O)N(C)C)n1,0,0.0,
+Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2OCC(N)=O)n1,0,0.0,
+Cc1cc(CCC(=O)O)c(C)cc1CCC(=O)O,0,0.0,
+Cc1cc(CCN2CCC(=O)NC2=O)ccc1OC(C)C,0,0.0,
+Cc1cc(CN(C)C)c(O)c(C2(C)CCCCC2)c1,0,0.0,
+Cc1cc(CN(C)C)c(OC(=O)N(C)C)cc1C,0,0.0,
+Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(N2CCOCC2)c1,0,0.0,
+Cc1cc(CN2C(=O)c3ccccc3C2=O)no1,0,0.0,
+Cc1cc(CN2C(=O)c3ccccc3C2=O)on1,0,0.0,
+Cc1cc(CN2CCN(CCC#N)CC2)c(O)c(C2(C)CCCCC2)c1,0,0.0,
+Cc1cc(CN2CCOCC2)c(O)c(C2(C)CCCCC2)c1,0,0.0,
+Cc1cc(CNC(=O)Cc2c(F)cccc2Cl)nn1C,0,0.0,
+Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)nn1C,0,0.0,
+Cc1cc(CNC(=O)Nc2ccc3c(c2)OCO3)nn1C,0,0.0,
+Cc1cc(CNC(=O)c2cc(Br)ccc2Cl)nn1C,0,0.0,
+Cc1cc(COc2ccccc2OCCN2CCN(C)CC2)no1,0,0.0,
+Cc1cc(COc2ccccc2OCc2cc(C)no2)on1,0,0.0,
+Cc1cc(Cl)c(OCCCn2cncn2)c(Br)c1,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)N2CCCCCC2)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)N2CCSCC2)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)NC(C(=O)O)c2ccccc2)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)NC2CCCCC2)cc1OCC(=O)Nc1nncs1,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)NCC2CCCO2)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)NCCC(=O)O)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)NCc2ccncc2)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)Nc2ccccn2)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c(S(=O)(=O)Nc2ccon2)cc1OCC(=O)NC1CCCCC1,0,0.0,
+Cc1cc(Cl)c(S(N)(=O)=O)cc1OCC(N)=O,0,0.0,
+Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21,0,0.0,
+Cc1cc(Cl)cc(Br)c1OCCCCn1cncn1,0,0.0,
+Cc1cc(Cl)cc(Br)c1OCCNCC(C)O,0,0.0,
+Cc1cc(Cl)cc(C)c1OCC(=O)O,0,0.0,
+Cc1cc(Cl)cc(C)c1OCCCCN1CCOCC1,0,0.0,
+Cc1cc(Cl)cc(C)c1OCCCCn1ccnc1,0,0.0,
+Cc1cc(Cl)cc(Cl)c1OCC(=O)NCc1ccco1,0,0.0,
+Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21,0,0.0,
+Cc1cc(Cl)ccc1N1C(=O)CC(SCCC(=O)O)C1=O,0,0.0,
+Cc1cc(Cl)ccc1N=Cc1c(O)n(C)c(=O)n(C)c1=O,0,0.0,
+Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1,0,0.0,
+Cc1cc(Cl)ccc1NC(=O)CSc1nnc(Cc2cccs2)n1Cc1ccco1,0,0.0,
+Cc1cc(Cl)ccc1OC(C)C(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+Cc1cc(Cl)ccc1OC(C)C(=O)O,0,0.0,
+Cc1cc(Cl)ccc1OCC(=O)N1C(C)CCCC1C,0,0.0,
+Cc1cc(Cl)ccc1OCC(=O)N1CC(C)CC(C)C1,0,0.0,
+Cc1cc(Cl)ccc1OCC(=O)N1CCCCC1,0,0.0,
+Cc1cc(Cl)ccc1OCC(=O)N1CCN(C)CC1,0,0.0,
+Cc1cc(Cl)ccc1OCC(=O)NCCC(=O)O,0,0.0,
+Cc1cc(Cl)ccc1OCC(=O)NCCCN1CCOCC1,0,0.0,
+Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1CO,0,0.0,
+Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+Cc1cc(Cl)ccc1OCC(=O)Nn1c(C)ccc1C,0,0.0,
+Cc1cc(Cl)ccc1OCC(=O)O,0,0.0,
+Cc1cc(Cl)ccc1OCC(=O)OC(C)C(=O)N(C)C,0,0.0,
+Cc1cc(Cl)ccc1OCC(=O)OC(C)C(=O)NC(N)=O,0,0.0,
+Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+Cc1cc(Cl)ccc1OCCCC(=O)N1CCOCC1,0,0.0,
+Cc1cc(Cl)ccc1OCCCC(=O)NC1CCN(C)CC1,1,100.0,1.0
+Cc1cc(Cl)ccc1OCCCC(=O)NO,0,0.0,
+Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccnc1,0,0.0,
+Cc1cc(Cl)ccc1OCCCC(N)=O,0,0.0,
+Cc1cc(Cl)ccc1OCc1nc(-c2ccc(O)cc2)n[nH]1,0,0.0,
+Cc1cc(Cn2ccnc2)c(C)cc1Cn1ccnc1,1,100.0,0.0
+Cc1cc(F)c(F)c(C(=O)N2CCN(C)CC2)c1Cl,0,0.0,
+Cc1cc(F)c(F)c(C(=O)NC2CC2)c1Cl,0,0.0,
+Cc1cc(F)ccc1NCc1ccncc1,0,0.0,
+Cc1cc(F)ccc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,0,0.0,
+Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ncn[nH]1,0,0.0,
+Cc1cc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccccc2)ccc1-n1cnnn1,0,0.0,
+Cc1cc(N(C)C)c(C#N)c(=O)[nH]1,0,0.0,
+Cc1cc(N(C)C)c(C#N)c(N2CCCCC2)n1,0,0.0,
+Cc1cc(N(C)C)c(C#N)c(N2CCOCC2)n1,0,0.0,
+Cc1cc(N(C)C)c(C#N)c(NCc2ccccc2)n1,0,0.0,
+Cc1cc(N(C)C)cc(C)[n+]1[O-],0,0.0,
+Cc1cc(N(C)C)nc(SC(C)C)n1,0,0.0,
+Cc1cc(N(CC(=O)O)S(C)(=O)=O)ccc1Br,0,0.0,
+Cc1cc(N(CN2CCCC2=O)C(=O)c2ccc(F)cc2)no1,0,0.0,
+Cc1cc(N(CN2CCCC2=O)C(=O)c2ccccc2)no1,0,0.0,
+Cc1cc(N)c(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1C,0,0.0,
+Cc1cc(N)c(NC2=CC(=O)CC(C)(C)C2)cc1C,0,0.0,
+Cc1cc(N)ccc1-n1c(C)ccc1C,0,0.0,
+Cc1cc(N)ccc1NC(=O)c1ccccc1,0,0.0,
+Cc1cc(N)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(N)n(-c2nc(-c3cccnc3)nc3ccccc23)n1,0,0.0,
+Cc1cc(N)n(C2CCN(C)CC2)n1,0,0.0,
+Cc1cc(N)n2nc(-c3ccccc3)cc2n1,0,0.0,
+Cc1cc(N)n2ncc(-c3cccc(Br)c3)c2n1,0,0.0,
+Cc1cc(N)n2ncc(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(N/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)no1,0,0.0,
+Cc1cc(N/C=C/C(=O)c2cccc3ccccc23)no1,0,0.0,
+Cc1cc(N/C=C2\CCCCC2=O)no1,0,0.0,
+Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)C2c2cccc(Br)c2)no1,0,0.0,
+Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)C2c2ccc(Cl)cc2)no1,0,0.0,
+Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)C2c2ccc(F)cc2)no1,0,0.0,
+Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)C2c2cccc(Br)c2)no1,0,0.0,
+Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)C2c2cccc(Br)c2)no1,0,0.0,
+Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)C2c2cccs2)no1,0,0.0,
+Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)C2c2cccs2)no1,0,0.0,
+Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccnc2)no1,0,0.0,
+Cc1cc(N2C(=O)C3C4C=CC(C4)C3C2=O)ccc1Br,0,0.0,
+Cc1cc(N2C(=O)C3C4C=CC(C4)C3C2=O)no1,0,0.0,
+Cc1cc(N2C(=O)C3C4c5ccccc5C(c5ccccc54)C3C2=O)no1,0,0.0,
+Cc1cc(N2C(=O)C3CC=CCC3C2=O)cc(C)c1Br,0,0.0,
+Cc1cc(N2C(=O)C3CCCN3C2c2ccc(Cl)c(Cl)c2)no1,0,0.0,
+Cc1cc(N2C(=O)C3CCCN3C2c2cccc(Cl)c2)no1,0,0.0,
+Cc1cc(N2C(=O)C3CCCN3C2c2ccccc2)no1,0,0.0,
+Cc1cc(N2C(=O)C3CCCN3C2c2sccc2C)no1,0,0.0,
+Cc1cc(N2C(=O)CC(Cc3ccccc3)C2=O)no1,0,0.0,
+Cc1cc(N2C(=O)CC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)no1,0,0.0,
+Cc1cc(N2C(=O)CC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)no1,0,0.0,
+Cc1cc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5cccs5)cc4)CC3)C2=O)no1,0,0.0,
+Cc1cc(N2C(=O)CCC2=O)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(N2C(=O)c3ccc(C(=O)NCc4ccccc4)cc3C2=O)no1,0,0.0,
+Cc1cc(N2C3CCC2CC(O)(c2ccc(F)cc2)C3)nc(-c2ccccc2)n1,0,0.0,
+Cc1cc(N2CC(=O)N(CCc3ccccc3)C(=O)C2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CC(C(=O)O)CC2=O)ccc1Br,0,0.0,
+Cc1cc(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)no1,0,0.0,
+Cc1cc(N2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCC(C(=O)NC3CC3)CC2)nc(-c2ccccc2)n1,0,0.0,
+Cc1cc(N2CCC(C(=O)NCC3CC3)CC2)nc(-c2ccccc2)n1,0,0.0,
+Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nc(-c2ccccc2)n1,0,0.0,
+Cc1cc(N2CCC(C)CC2)n2nc(C)c(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(N2CCC(C)CC2)n2ncc(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(N2CCC(C)CC2)nc(-n2nc(C)cc2C)n1,0,0.0,
+Cc1cc(N2CCC(C)CC2)nc2ccc(N3C(=O)CCC3=O)cc12,0,0.0,
+Cc1cc(N2CCC(N(C)C3CCCC3)CC2)nc2cc(O)ccc12,1,100.0,1.0
+Cc1cc(N2CCC3(CC2)OCCO3)n2nc(C)c(-c3ccc(Cl)cc3)c2n1,0,0.0,
+Cc1cc(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCCC2)ccc1/C=N/n1cnnc1,0,0.0,
+Cc1cc(N2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(N2CCCC2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(N2CCCC2)nc(-c2ccccc2O)n1,0,0.0,
+Cc1cc(N2CCCC2=O)c(N)cc1N,0,0.0,
+Cc1cc(N2CCCC2=O)cc(C)c1CN1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)NCCOc1ccccc1,0,0.0,
+Cc1cc(N2CCCC2=O)cc(C)c1S(N)(=O)=O,0,0.0,
+Cc1cc(N2CCCCC2)n2nc(C)c(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(N2CCCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1,0,0.0,
+Cc1cc(N2CCCCC2)n2ncc(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(N2CCCCC2)nc(SCC(=O)c2ccccc2)n1,0,0.0,
+Cc1cc(N2CCCCC2)nc(SCc2ccc(C#N)cc2)n1,0,0.0,
+Cc1cc(N2CCCCCC2)nc(-c2ccccc2O)n1,0,0.0,
+Cc1cc(N2CCCN(C)CC2)nc2cc(Cl)ccc12,1,100.0,1.0
+Cc1cc(N2CCCc3ccccc32)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(-c3cccc(Cl)c3)cc2n1,0,0.0,
+Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(-c3cccc(F)c3)cc2n1,0,0.0,
+Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1,0,0.0,
+Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)c(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2ncc(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCN(C)CC2)nc(N2CCOCC2)n1,0,0.0,
+Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCCC3=CCCCC3)cc12,0,0.0,
+Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCc3ccco3)cc12,0,0.0,
+Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccc(Br)o3)cc12,0,0.0,
+Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12,0,0.0,
+Cc1cc(N2CCN(C/C=C/c3ccccc3)CC2)n2ncnc2n1,1,100.0,0.0
+Cc1cc(N2CCN(C3CCCC3)CC2)n2c(nc3ccccc32)c1C#N,0,0.0,
+Cc1cc(N2CCN(C3CCCC3)CC2)n2nc(C)c(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(N2CCN(C3CCCC3)CC2)n2ncc(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(N2CCN(C3CCCCC3)CC2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(N2CCN(C3CCCCC3)CC2)nc2cccc(O)c12,0,0.0,
+Cc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n1,1,100.0,
+Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2n1,0,0.0,
+Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCN(c3ccccc3)CC2)n2c(n1)nc1ccccc12,0,0.0,
+Cc1cc(N2CCN(c3ccccc3)CC2)n2nnnc2n1,0,0.0,
+Cc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1,0,0.0,
+Cc1cc(N2CCN(c3ccccc3)CC2)nc(-n2nc(C)cc2C)n1,0,0.0,
+Cc1cc(N2CCN(c3ccccc3)CC2)nc(NCc2ccccc2)n1,0,0.0,
+Cc1cc(N2CCN(c3ccccc3F)CC2)nc2cc(O)ccc12,0,0.0,
+Cc1cc(N2CCN(c3ccccn3)CC2)n2c(nc3ccccc32)c1C#N,1,100.0,0.0
+Cc1cc(N2CCN(c3ccccn3)CC2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(N2CCN(c3nc(N4CCOCC4)nc4ccccc34)CC2)c2ccccc2n1,1,100.0,1.0
+Cc1cc(N2CCN(c3nc4ccccc4s3)CC2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12,0,0.0,
+Cc1cc(N2CCN(c3nnnn3-c3ccccc3)CC2)n2ncnc2n1,0,0.0,
+Cc1cc(N2CCOCC2)c2c(N)c(Br)cc(C)c2n1,0,0.0,
+Cc1cc(N2CCOCC2)c2c(N)c(C)cc(C)c2n1,0,0.0,
+Cc1cc(N2CCOCC2)cc(C)[n+]1[O-],0,0.0,
+Cc1cc(N2CCOCC2)n2nc(-c3cccc(F)c3)cc2n1,0,0.0,
+Cc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(N2CCOCC2)nc(NCc2ccccc2)n1,0,0.0,
+Cc1cc(N2CCOCC2)nc(SCC(=O)c2ccc(Cl)cc2)n1,0,0.0,
+Cc1cc(N2CCOCC2)nc(SCC(=O)c2ccccc2)n1,0,0.0,
+Cc1cc(N2CCOCC2)nc2cc(O)ccc12,0,0.0,
+Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12,0,0.0,
+Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCC(C)CC3)cc12,0,0.0,
+Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCC4(CC3)OCCO4)cc12,0,0.0,
+Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCCC(C)C3)cc12,0,0.0,
+Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCCCC3)cc12,1,100.0,0.0
+Cc1cc(N2CCc3ccccc32)n2ncnc2n1,0,0.0,
+Cc1cc(N=CC2=C(O)CC(C)(C)CC2=O)no1,0,0.0,
+Cc1cc(N=CC2=C(O)CCCC2=O)no1,0,0.0,
+Cc1cc(N=Cc2c(O)ccc3ccccc23)no1,0,0.0,
+Cc1cc(N=Cc2c(O)n(-c3ccc4c(c3)OCO4)c(=O)c3ccccc23)ccn1,0,0.0,
+Cc1cc(N=Cc2cc(Br)ccc2O)no1,0,0.0,
+Cc1cc(N=Cc2cc(Cl)ccc2O)no1,0,0.0,
+Cc1cc(NC(=O)C(C)(C)C)no1,0,0.0,
+Cc1cc(NC(=O)C(C)C)ncc1NC(=O)CCc1ccccc1,0,0.0,
+Cc1cc(NC(=O)C(C)C)ncc1NC(=O)Cc1ccccc1,0,0.0,
+Cc1cc(NC(=O)C(C)C)ncc1NC(=O)c1cccc(F)c1,0,0.0,
+Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)no1,0,0.0,
+Cc1cc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)no1,0,0.0,
+Cc1cc(NC(=O)C23CCC(C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)no1,0,0.0,
+Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1,0,0.0,
+Cc1cc(NC(=O)C2C3C(=O)N(CCC(C)C)C(C(=O)NCc4ccccc4)C34C=CC2(C)O4)no1,0,0.0,
+Cc1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)no1,0,0.0,
+Cc1cc(NC(=O)C2CC2)ncc1NC(=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+Cc1cc(NC(=O)C2CC=CCC2C(=O)O)no1,0,0.0,
+Cc1cc(NC(=O)C2CCC2)n(-c2ccccn2)n1,0,0.0,
+Cc1cc(NC(=O)C2CCCC2)nc2c1c(=O)oc1ccccc12,0,0.0,
+Cc1cc(NC(=O)C2CCCCC2)nc2c1c(=O)oc1ccccc12,0,0.0,
+Cc1cc(NC(=O)C2CCCCC2C(=O)O)no1,0,0.0,
+Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n[nH]1,0,0.0,
+Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)no1,0,0.0,
+Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)ccc1Br,0,0.0,
+Cc1cc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1-n1cnnn1,0,0.0,
+Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)ccc1Br,0,0.0,
+Cc1cc(NC(=O)C2COc3ccccc3O2)no1,0,0.0,
+Cc1cc(NC(=O)CC(C)(C)C)nc2c1c(=O)oc1ccccc12,0,0.0,
+Cc1cc(NC(=O)CC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)no1,0,0.0,
+Cc1cc(NC(=O)CC23CC4CC(C2)CC(CC(=O)Nc2cc(C)on2)(C4)C3)no1,0,0.0,
+Cc1cc(NC(=O)CC2CCCC2)n(-c2nc3ccccc3[nH]2)n1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(C2CC2)C2(C(=O)NC3CCCC3)CCC(C)CC2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccc(F)cc2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2Cl)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(CC2CCCO2)C(C(=O)NC2CCCC2)c2ccccc2C)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)C(C(=O)NC2CCCC2)c2cccnc2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)CC(=O)NCC2CCCO2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(CCc2ccccc2)C(C(=O)NC2CCCC2)c2ccco2)no1,1,100.0,
+Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCN(C)CC2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(c2ccc(F)cc2)C(C(=O)NC2CCCC2)c2ccncc2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(c2ccc(F)cc2)C2(C(=O)NC3CCCCC3)CCCC2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(c2cccc(F)c2)C(C(=O)NC2CCCC2)c2ccncc2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)C(C(=O)NC2CCCC2)c2cccs2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)C(C(=O)NC2CCCC2)c2ccncc2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)C(C(=O)NCC2CCCO2)c2cccnc2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)C2(C(=O)NC3CCCCC3)CCCC2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(c2cccnc2)C(C(=O)NC2CCCC2)c2ccccc2)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N(c2cccnc2)C(C(=O)NC2CCCC2)c2ccccc2F)no1,0,0.0,
+Cc1cc(NC(=O)CCC(=O)N2CCC3(CC2)OCCO3)no1,0,0.0,
+Cc1cc(NC(=O)CCC2CCCC2)no1,0,0.0,
+Cc1cc(NC(=O)CCC2COc3ccccc3O2)no1,0,0.0,
+Cc1cc(NC(=O)CCCC(=O)N(CC(=O)NC2CCCCC2)c2ccccc2)no1,0,0.0,
+Cc1cc(NC(=O)CCCC(=O)N(CC(=O)NCCc2ccccc2)Cc2ccc(F)cc2)no1,0,0.0,
+Cc1cc(NC(=O)CCCC(=O)NCc2cccs2)no1,0,0.0,
+Cc1cc(NC(=O)CCCC(=O)Nc2ccc(F)cc2)no1,0,0.0,
+Cc1cc(NC(=O)CCCC(=O)O)nc(C)n1,0,0.0,
+Cc1cc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)cc(C)c1C(=O)O,0,0.0,
+Cc1cc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)no1,0,0.0,
+Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)no1,0,0.0,
+Cc1cc(NC(=O)CCCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)no1,0,0.0,
+Cc1cc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)no1,0,0.0,
+Cc1cc(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)c2ccccc2n1,0,0.0,
+Cc1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)no1,0,0.0,
+Cc1cc(NC(=O)CCOc2ccccc2)no1,0,0.0,
+Cc1cc(NC(=O)CCc2ccc(C)o2)no1,0,0.0,
+Cc1cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)CCn2c(=O)sc3ccccc32)no1,0,0.0,
+Cc1cc(NC(=O)CN2C(=O)C3CC=CCC3C2=O)no1,0,0.0,
+Cc1cc(NC(=O)CN2C(=O)CC(c3ccco3)Sc3ccccc32)no1,0,0.0,
+Cc1cc(NC(=O)CN2CC3CC(C2)c2cccc(=O)n2C3)nc2c1c(=O)oc1ccccc12,0,0.0,
+Cc1cc(NC(=O)CN2CCC(O)(c3cccc(F)c3)CC2)no1,0,0.0,
+Cc1cc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)no1,0,0.0,
+Cc1cc(NC(=O)CN2CCCC2c2nc3ccccc3s2)no1,0,0.0,
+Cc1cc(NC(=O)CN2CCCCC2C)nc2c1c(=O)oc1ccccc12,0,0.0,
+Cc1cc(NC(=O)CN2CCCCCCC2)no1,0,0.0,
+Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)oc1ccccc12,1,100.0,0.0
+Cc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)oc1ccccc12,0,0.0,
+Cc1cc(NC(=O)CN2CCN(c3ccccc3O)CC2)no1,0,0.0,
+Cc1cc(NC(=O)CN2CCN(c3ncccn3)CC2)no1,0,0.0,
+Cc1cc(NC(=O)CN2CCc3ccccc3C2)nc2c1c(=O)oc1ccccc12,0,0.0,
+Cc1cc(NC(=O)CNC(=O)C2CCCCC2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)C(Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)C2CCCN2C(=O)c2cccs2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)C2COc3ccccc3O2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2C)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)CSCc2ccc(Cl)c(Cl)c2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)c2cc3c(s2)CCC(C)C3)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1,0,0.0,
+Cc1cc(NC(=O)COC(=O)c2n[nH]c3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(CCC#N)n1,0,0.0,
+Cc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1,0,0.0,
+Cc1cc(NC(=O)COc2ccc3oc4ccccc4c3c2)no1,0,0.0,
+Cc1cc(NC(=O)COc2cccc(C)c2C)no1,0,0.0,
+Cc1cc(NC(=O)COc2cccc(Oc3ccccc3)c2)no1,0,0.0,
+Cc1cc(NC(=O)COc2cccc3cccnc23)no1,0,0.0,
+Cc1cc(NC(=O)COc2ccccc2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)COc2ncnc3sc(C)c(C)c23)no1,0,0.0,
+Cc1cc(NC(=O)COc2nnc(-c3ccccc3)c3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)COn2nnc3ccc(Cl)cc32)no1,0,0.0,
+Cc1cc(NC(=O)COn2nnc3ccccc32)no1,0,0.0,
+Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)no1,1,100.0,
+Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1,1,100.0,
+Cc1cc(NC(=O)CSC2=NCCS2)no1,0,0.0,
+Cc1cc(NC(=O)CSCCc2ccncc2)no1,0,0.0,
+Cc1cc(NC(=O)CSCc2nc(-c3cccc(Cl)c3)oc2C)no1,0,0.0,
+Cc1cc(NC(=O)CSc2c(C)[nH]c3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2c3c(nc4ccccc24)CCC3)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cn2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ccc(Cl)cc2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ccc3c(c2)OCCO3)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ccccc2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2cn(C)c3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccc(Cl)cc3)c3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccc(F)cc3)c3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2n[nH]c(CC(C)C)n2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(-c3ccccc3)cs2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(-c3cccnc3)ccc2C#N)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCC(C)C4)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc(CCC3CCCC3)nc3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2cccc(C(F)(F)F)c2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3c(c(-c4cccnc4)c2C#N)CCC3)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(Cl)cc2)SCC3)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SC(C)C3)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)SC(C)C3)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)SC(C)C3)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCc2ccccc2)OCO4)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3ccccc3[nH]2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2ccco2)n[nH]1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CC(C)CC(C)C2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCCC2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCCC(=O)O)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccn2)n[nH]1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nccn2-c2ccc(F)cc2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ncn(-c3ccccc3)n2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ncnc3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2ncnc3sc4c(c23)CCC(C)C4)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2CC2CCCO2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(-c3ccco3)o2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2N)ccc1Br,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(-c3ccoc3C)n2N)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(-c3ccoc3C)o2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(C(C)N(C)C)n2Cc2ccccc2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(C)c(=O)[nH]2)no1,1,100.0,0.0
+Cc1cc(NC(=O)CSc2nnc(C3CC3)n2C)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(C3CC3)n2N)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C2CCCCC2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(CNc3cccc(C(F)(F)F)c3)n2Cc2ccco2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2C)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2Cc2ccco2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(Cc3ccccc3)o2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2-c2ccccc2C)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc3c(C)cc4cc(C)c(C)cc4n23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc3c(C)cc4cc5c(cc4n23)OCO5)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)no1,0,0.0,
+Cc1cc(NC(=O)CSc2nnnn2C2CCCC2)no1,0,0.0,
+Cc1cc(NC(=O)Cc2c(F)cccc2Cl)no1,0,0.0,
+Cc1cc(NC(=O)Cc2ccccc2)no1,0,0.0,
+Cc1cc(NC(=O)Cc2cccs2)nn1CC(=O)NCc1ccco1,0,0.0,
+Cc1cc(NC(=O)Cc2cccs2)no1,0,0.0,
+Cc1cc(NC(=O)Cc2cn3ccsc3n2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(Cc3ccccc3)c2=O)no1,0,0.0,
+Cc1cc(NC(=O)Cn2c(=O)c3c(ncn3CCC(C)C)n(Cc3ccccc3)c2=O)no1,0,0.0,
+Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)no1,0,0.0,
+Cc1cc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)no1,0,0.0,
+Cc1cc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)no1,0,0.0,
+Cc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)ccc1-n1cnnn1,0,0.0,
+Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)no1,0,0.0,
+Cc1cc(NC(=O)Cn2nc3c(cc2=O)CCCC3)ccc1Br,0,0.0,
+Cc1cc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCC(C(C)(C)C)C4)no1,0,0.0,
+Cc1cc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)no1,1,100.0,0.0
+Cc1cc(NC(=O)NC(=O)c2ccc(F)cc2F)n[nH]1,0,0.0,
+Cc1cc(NC(=O)NC(=O)c2cccc(OC(F)(F)C(F)F)c2)n[nH]1,0,0.0,
+Cc1cc(NC(=O)NC2(C(F)(F)F)Oc3ccc(Cl)cc3O2)no1,0,0.0,
+Cc1cc(NC(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)no1,0,0.0,
+Cc1cc(NC(=O)Nc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)Nc2ccc(F)c(Cl)c2)no1,0,0.0,
+Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)no1,0,0.0,
+Cc1cc(NC(=O)Nc2cccc3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)Nc2cccs2)no1,0,0.0,
+Cc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)no1,0,0.0,
+Cc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(-c3ccco3)on2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)c2cc(-c3ccco3)on2)nn1Cc1ccc(Cl)cc1,0,0.0,
+Cc1cc(NC(=O)c2cc(-c3ccco3)on2)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(-c3cccs3)on2)nn1Cc1ccc(Cl)cc1,0,0.0,
+Cc1cc(NC(=O)c2cc(-c3cccs3)on2)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(C(C)C)on2)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(C)on2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)c2cc(C)on2)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(C3CC3)on2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)c2cc(C3CC3)on2)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(CC(C)C)on2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)c2cc(CC(C)C)on2)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)no1,0,0.0,
+Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)n(-c2ccccn2)n1,0,0.0,
+Cc1cc(NC(=O)c2cc3ccccc3o2)cc(C)c1OCC(=O)N1CCOCC1,0,0.0,
+Cc1cc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccc(Cl)c(Cl)c2)N3)no1,0,0.0,
+Cc1cc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)no1,0,0.0,
+Cc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)no1,0,0.0,
+Cc1cc(NC(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCC3)c2)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc(Cl)cc2)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc(NC(=O)C(C)Oc3ccccc3)cc2)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2c1c(=O)oc1ccccc12,0,0.0,
+Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2c1c(=O)oc1ccccc12,0,0.0,
+Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc3c(c2)OCO3)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)no1,0,0.0,
+Cc1cc(NC(=O)c2ccc3nc(C)sc3c2)no1,0,0.0,
+Cc1cc(NC(=O)c2cccc(C(=O)Nc3cc(C)on3)n2)no1,0,0.0,
+Cc1cc(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)no1,0,0.0,
+Cc1cc(NC(=O)c2cccc(F)c2)ncc1NC(=O)c1ccco1,0,0.0,
+Cc1cc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)no1,0,0.0,
+Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CC(c4ccccc4)CC3=O)c2)no1,0,0.0,
+Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)no1,0,0.0,
+Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)n(-c2ccccn2)n1,0,0.0,
+Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2n1,0,0.0,
+Cc1cc(NC(=O)c2ccccc2)ncc1NC(=O)c1ccco1,0,0.0,
+Cc1cc(NC(=O)c2ccccc2)sc1C,0,0.0,
+Cc1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)no1,0,0.0,
+Cc1cc(NC(=O)c2ccccc2F)n(-c2nc3ccccc3[nH]2)n1,0,0.0,
+Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)no1,0,0.0,
+Cc1cc(NC(=O)c2ccccc2Oc2ccccc2)no1,0,0.0,
+Cc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccco1,0,0.0,
+Cc1cc(NC(=O)c2ccco2)ncc1NC(=O)CCc1ccccc1,0,0.0,
+Cc1cc(NC(=O)c2ccco2)ncc1NC(=O)Cc1ccccc1,0,0.0,
+Cc1cc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)no1,0,0.0,
+Cc1cc(NC(=O)c2cnc3ccccn3c2=O)no1,0,0.0,
+Cc1cc(NC(=O)c2cncc(Br)c2)n(-c2ccccn2)n1,0,0.0,
+Cc1cc(NC(=O)c2cnccn2)no1,0,0.0,
+Cc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccccc4)nc23)no1,0,0.0,
+Cc1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)no1,0,0.0,
+Cc1cc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)no1,0,0.0,
+Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)c2cnn3cccnc23)nn1CC(=O)Nc1cccnc1,0,0.0,
+Cc1cc(NC(=O)c2cnn3cccnc23)no1,1,100.0,
+Cc1cc(NC(=O)c2noc3c2CCCC3)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)c2noc3c2CCCC3)nn1Cc1ccc(Cl)cc1,0,0.0,
+Cc1cc(NC(=O)c2noc3c2CCCC3)no1,0,0.0,
+Cc1cc(NC(=O)c2noc3c2CCCCC3)nn1Cc1ccc(Cl)cc1,0,0.0,
+Cc1cc(NC(=O)c2noc3c2CCCCC3)no1,0,0.0,
+Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)no1,0,0.0,
+Cc1cc(NC(=O)c2oc3ccccc3c2C)ccc1-n1cnnn1,0,0.0,
+Cc1cc(NC(=O)c2ocnc2C)no1,0,0.0,
+Cc1cc(NC(=O)c2sc(Nc3cccc(C(F)(F)F)c3)nc2N)no1,0,0.0,
+Cc1cc(NC(=O)c2sccc2C)n(-c2cccc(Cl)c2)n1,0,0.0,
+Cc1cc(NC(CC(C)C)C(=O)O)nc(Cc2ccccc2)n1,0,0.0,
+Cc1cc(NC(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)no1,0,0.0,
+Cc1cc(NC(c2cccnc2)c2c(C)[nH]c3ccccc23)no1,0,0.0,
+Cc1cc(NC(c2cccnc2)c2ccc3cccnc3c2O)no1,0,0.0,
+Cc1cc(NC2(C(F)(F)F)N=C(c3ccccc3)NC2=O)no1,0,0.0,
+Cc1cc(NC2C3CC4CC(C3)CC2C4)n2ncnc2n1,0,0.0,
+Cc1cc(NC2C3CC4CC(C3)CC2C4)n2nnnc2n1,0,0.0,
+Cc1cc(NC2CCCCC2)nc(N2CCOCC2)n1,0,0.0,
+Cc1cc(NCC2CCCO2)n2c(nc3ccccc32)c1C#N,0,0.0,
+Cc1cc(NCCCCO)n2c(nc3ccccc32)c1C#N,0,0.0,
+Cc1cc(NCCCN)nc(-c2ccccc2O)n1,0,0.0,
+Cc1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N,0,0.0,
+Cc1cc(NCCCN2CCOCC2)n2nc(C)c(-c3ccc(F)cc3)c2n1,0,0.0,
+Cc1cc(NCCCN2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(NCCCN2CCOCC2)n2ncc(-c3ccc(Cl)cc3)c2n1,0,0.0,
+Cc1cc(NCCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(NCCCn2ccnc2)n2c(nc3ccccc32)c1C#N,0,0.0,
+Cc1cc(NCCCn2ccnc2)n2nc(-c3ccc(F)cc3)cc2n1,0,0.0,
+Cc1cc(NCCCn2ccnc2)n2ncc(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(NCCN(C)C)n2nc(-c3cccs3)cc2n1,0,0.0,
+Cc1cc(NCCN2CCCCC2)n2c(nc3ccccc32)c1C#N,0,0.0,
+Cc1cc(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N,0,0.0,
+Cc1cc(NCCN2CCOCC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1,0,0.0,
+Cc1cc(NCCN2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(NCCN2CCOCC2)n2ncc(-c3ccc(Cl)cc3)c2n1,0,0.0,
+Cc1cc(NCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(NCCNC2=CC(=O)CCC2)nc2ccccc12,0,0.0,
+Cc1cc(NCCOCCO)n2ncc(-c3ccc(Cl)cc3)c2n1,0,0.0,
+Cc1cc(NCc2ccc(F)cc2Cl)n2nnnc2n1,0,0.0,
+Cc1cc(NCc2ccc3c(c2)OCO3)n2nc(C)nc2n1,0,0.0,
+Cc1cc(NCc2ccccc2)nc(-c2ccccc2O)n1,0,0.0,
+Cc1cc(NCc2ccccc2Cl)n2nnnc2n1,0,0.0,
+Cc1cc(NCc2ccco2)n2c(nc3ccccc32)c1C#N,0,0.0,
+Cc1cc(NCc2ccco2)nc2cc(O)ccc12,0,0.0,
+Cc1cc(NO)nc(-c2ccc(Br)cc2)n1,0,0.0,
+Cc1cc(NS(=O)(=O)Cc2ccccc2)cc(C)c1OCC(=O)N1CCOCC1,0,0.0,
+Cc1cc(NS(=O)(=O)Cc2ccccc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(Br)s2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)nn1CC(=O)NCc1ccco1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)cc2)nc(C)n1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc4c(C)cc(=O)oc4c3)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCC(=O)O)cc2)nc(C)n1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)nc(C)n1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)C)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccoc3C)cc2)nc(C)n1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnc4scc(C)n4c3=O)cc2)nc(C)n1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4sc(N)nc4C)cs3)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccc(OCCNS(C)(=O)=O)cc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccccc2)c(C)c(Cl)c1O,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccccc2)cc(Cl)c1O,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccccc2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(NS(=O)(=O)c2ccccc2)no1,0,0.0,
+Cc1cc(NS(=O)(=O)c2cccs2)no1,0,0.0,
+Cc1cc(Nc2c(C)cccc2C)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2cc(C(=O)O)ccc2C)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2cc(C)on2)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2cc(F)ccc2C)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2cc(F)ccc2C)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2ccc(Br)c(C)c2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccc(Br)cc2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccc(Br)cc2F)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccc(Br)cc2F)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2ccc(C(=O)O)cc2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccc(C(C)C)cc2)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2ccc(C)c(Br)c2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccc(C)c(C)c2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccc(C)c(F)c2)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2ccc(Cl)cc2)n2nnnc2n1,0,0.0,
+Cc1cc(Nc2ccc(F)c(Cl)c2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccc(F)c(Cl)c2)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2ccc(F)cc2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccc(F)cc2C)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccc(F)cc2C)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2ccc(F)cc2Cl)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccc(F)cc2Cl)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2ccc(F)cc2F)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccc(F)cc2F)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2ccc(N3CCC(C)CC3)cc2)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2ccc3c(c2)OCCO3)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccc3c(c2)OCCO3)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2cccc(C)c2C)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2cccc(C)c2C)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2cccc(Cl)c2)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2cccc(Cl)c2C)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2cccc(F)c2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2cccc(F)c2)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2cccc(F)c2)nc(-c2ccccc2O)n1,0,0.0,
+Cc1cc(Nc2ccccc2)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(Nc2ccccc2)n(-c2nc3ccccc3[nH]2)n1,0,0.0,
+Cc1cc(Nc2ccccc2)n(C(=O)c2ccc(N)cc2)n1,0,0.0,
+Cc1cc(Nc2ccccc2)n(CCC#N)n1,0,0.0,
+Cc1cc(Nc2ccccc2)n(CCOC(=O)COc2ccccc2)n1,0,0.0,
+Cc1cc(Nc2ccccc2)nc(-c2ccccc2O)n1,0,0.0,
+Cc1cc(Nc2ccccc2)nn1C(=O)c1ccccc1,0,0.0,
+Cc1cc(Nc2ccccc2Br)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccccc2C(=O)O)nc2nc3ccccc3c(=O)n12,0,0.0,
+Cc1cc(Nc2ccccc2F)n2nc(C)nc2n1,0,0.0,
+Cc1cc(Nc2ccccc2F)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2ccccc2N2CCOCC2)n2ncnc2n1,0,0.0,
+Cc1cc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n(-c2ccc(Cl)cc2)n1,0,0.0,
+Cc1cc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(Nc2nc3ccccc3[nH]c2=O)n(-c2ccccc2)n1,0,0.0,
+Cc1cc(Nc2ncc(Cl)cc2Cl)n(-c2ccccn2)n1,0,0.0,
+Cc1cc(Nc2ncc(Cl)cc2Cl)n[nH]1,0,0.0,
+Cc1cc(Nc2nnnn2-c2ccccc2)n(-c2ccc(Cl)cc2)n1,0,0.0,
+Cc1cc(O)c(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)[nH]n2)cc1C,0,0.0,
+Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)[nH]n2)cc1C,0,0.0,
+Cc1cc(O)c(/C=N/c2ccccn2)c(=O)o1,0,0.0,
+Cc1cc(O)c(C(=O)c2ccccc2C(=O)O)cc1C,0,0.0,
+Cc1cc(O)c(C(C)C)cc1N=C1CSC(=O)N1,0,0.0,
+Cc1cc(O)c(C(C)C)cc1NC1=NS(=O)(=O)c2ccccc21,0,0.0,
+Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccccc1,0,0.0,
+Cc1cc(O)c(C2(C(F)(F)F)NCCNC2=O)cc1C,0,0.0,
+Cc1cc(O)c(C=Nc2cccc(Cl)c2)c(=O)o1,0,0.0,
+Cc1cc(O)c(NC(=O)c2ccc(Br)o2)cc1C,0,0.0,
+Cc1cc(O)c(NC(=O)c2ccco2)cc1C,0,0.0,
+Cc1cc(O)c2c(-c3ccccc3)cc(=O)oc2c1,0,0.0,
+Cc1cc(O)cc(=O)n1Cc1ccco1,0,0.0,
+Cc1cc(O)cc(O)c1-c1onc(C(F)(F)F)c1-c1cscn1,0,0.0,
+Cc1cc(O)cc(O)c1C(=O)Cc1cscn1,0,0.0,
+Cc1cc(O)ccc1-c1cnc2ccccc2n1,0,0.0,
+Cc1cc(O)ccc1NC(=O)c1ccccc1,0,0.0,
+Cc1cc(O)ccc1Nc1nc(-c2sc(N)nc2C)cs1,0,0.0,
+Cc1cc(O)ccc1Nc1nc2ccccc2nc1Nc1ccc(O)cc1C,0,0.0,
+Cc1cc(OC(=O)CCNC(=O)OC(C)(C)C)c2c3c(c(=O)oc2c1)CCC3,0,0.0,
+Cc1cc(OC(=O)CNC(=O)OC(C)(C)C)c2c(C)cc(=O)oc2c1,0,0.0,
+Cc1cc(OC(=O)N2CCCCC2)cc(C)c1Cl,0,0.0,
+Cc1cc(OC(=O)N2CCOCC2)cc(C)c1Cl,0,0.0,
+Cc1cc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(=O)o1,0,0.0,
+Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1,0,0.0,
+Cc1cc(OC(=O)c2ccco2)c2c3c(c(=O)oc2c1)CCC3,0,0.0,
+Cc1cc(OC2CCCCC2)nc(-c2ccccc2O)n1,0,0.0,
+Cc1cc(OCC(=O)C(C)(C)C)c2c(C)c(C)c(=O)oc2c1,0,0.0,
+Cc1cc(OCC(=O)N(C)C)c2c(-c3ccccc3)cc(=O)oc2c1,0,0.0,
+Cc1cc(OCC(=O)N2CCCC2)cc(C)c1Cl,0,0.0,
+Cc1cc(OCC(=O)N2CCOCC2)c(C(C)C)cc1Cl,0,0.0,
+Cc1cc(OCC(=O)N2CCOCC2)cc2oc(=O)c3ccccc3c12,0,0.0,
+Cc1cc(OCC(=O)N2CCOCC2)ccc1NC(=O)C1CCCCC1,0,0.0,
+Cc1cc(OCC(=O)NC2CCS(=O)(=O)C2)c2c3c(c(=O)oc2c1)CCC3,0,0.0,
+Cc1cc(OCC(=O)NCCCN(C)C)cc(C)c1Br,0,0.0,
+Cc1cc(OCC(=O)NCCCN2CCOCC2)cc(C)c1Cl,0,0.0,
+Cc1cc(OCC(=O)NCCN2CCOCC2)cc(C)c1Br,0,0.0,
+Cc1cc(OCC(=O)NCCN2CCOCC2)ccc1Br,0,0.0,
+Cc1cc(OCC(=O)NCCO)cc(C)c1Cl,0,0.0,
+Cc1cc(OCC(=O)NCCO)ccc1Cl,0,0.0,
+Cc1cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2c3c(c(=O)oc2c1)CCC3,0,0.0,
+Cc1cc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)ccc1Cl,0,0.0,
+Cc1cc(OCC(=O)Nc2cc(C)nn2-c2ccccn2)c2c3c(c(=O)oc2c1)CCC3,0,0.0,
+Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc(C)c1Cl,1,100.0,1.0
+Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl,0,0.0,
+Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)ccc1Cl,0,0.0,
+Cc1cc(OCC(=O)Nc2ccncc2)ccc1Br,0,0.0,
+Cc1cc(OCC(=O)Nn2cnnc2)c(C)cc1Br,0,0.0,
+Cc1cc(OCC(=O)Nn2cnnc2)ccc1Br,0,0.0,
+Cc1cc(OCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3,0,0.0,
+Cc1cc(OCC(=O)O)c2cccc(C)c2n1,0,0.0,
+Cc1cc(OCC(=O)O)c2ccccc2n1,0,0.0,
+Cc1cc(OCC(=O)OC(C)(C)C)c2c3c(c(=O)oc2c1)CCC3,0,0.0,
+Cc1cc(OCC(=O)OC(C)C)c2c3c(c(=O)oc2c1)CCCC3,0,0.0,
+Cc1cc(OCC(=O)c2ccc(F)cc2)ccc1N1C(=O)CCC1=O,0,0.0,
+Cc1cc(OCC(O)CN(CCO)CCO)ccc1Cl,0,0.0,
+Cc1cc(OCC(O)CN2CCN(C)CC2)ccc1C(C)C,0,0.0,
+Cc1cc(OCC(O)CN2CCN(CCO)CC2)ccc1C(C)C,0,0.0,
+Cc1cc(OCCCC(=O)N2CCCCC2)cc(C)c1Cl,0,0.0,
+Cc1cc(OCCCCCNCCO)cc(C)c1Cl,1,100.0,0.0
+Cc1cc(OCCCCCNCCO)ccc1Cl,0,0.0,
+Cc1cc(OCCCn2ccnc2)cc(C)c1Cl,0,0.0,
+Cc1cc(OCCN2CCCC2)ccc1C(C)C,0,0.0,
+Cc1cc(OCCN2CCCCC2)nc2ccccc12,0,0.0,
+Cc1cc(OCCN2CCOCC2)nc2ccccc12,0,0.0,
+Cc1cc(OCCNCCO)cc(C)c1Cl,0,0.0,
+Cc1cc(OCCOCCN(C)CCO)cc(C)c1Cl,0,0.0,
+Cc1cc(OCCOCCN2CCCC2)ccc1C(C)C,0,0.0,
+Cc1cc(OCCSc2nnc(-c3cccs3)n2C)ccc1Cl,0,0.0,
+Cc1cc(OCc2ccc(F)cc2)nc(-c2ccccc2O)n1,0,0.0,
+Cc1cc(OCc2nc(-c3cccnc3)no2)c(C)cc1Br,0,0.0,
+Cc1cc(OCc2nn[nH]n2)c2c(-c3ccccc3)cc(=O)oc2c1,0,0.0,
+Cc1cc(OCc2nn[nH]n2)c2c(C)c(CC(=O)O)c(=O)oc2c1,0,0.0,
+Cc1cc(OCc2nn[nH]n2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1,0,0.0,
+Cc1cc(OCc2nn[nH]n2)c2c3c(c(=O)oc2c1)CCC3,0,0.0,
+Cc1cc(OCc2nn[nH]n2)c2c3c(c(=O)oc2c1)CCCC3,0,0.0,
+Cc1cc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)ccc1Cl,0,0.0,
+Cc1cc(OCn2ccc(C(=O)O)n2)ccc1Cl,0,0.0,
+Cc1cc(Oc2ccc(-c3ccccc3)cc2)n2ncnc2n1,0,0.0,
+Cc1cc(Oc2ccc(-c3ccccc3)cc2)nc(N2CCOCC2)n1,0,0.0,
+Cc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)[nH]n2)n1,0,0.0,
+Cc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)n(C)n2)n1,0,0.0,
+Cc1cc(Oc2ccc(Cl)cc2)nc(-c2ccccc2O)n1,0,0.0,
+Cc1cc(Oc2ccccc2)nc(-c2ccccc2)n1,0,0.0,
+Cc1cc(Oc2ccccc2)nc(-c2ccccc2O)n1,0,0.0,
+Cc1cc(Oc2ccccc2)nc(N)n1,0,0.0,
+Cc1cc(Oc2ccccc2)nc(OCC#N)n1,0,0.0,
+Cc1cc(Oc2ccccc2)nc2ccc(O)cc12,0,0.0,
+Cc1cc(S(=O)(=O)N(C)CCc2ccccc2)ccc1-n1cnnn1,0,0.0,
+Cc1cc(S(=O)(=O)N(Cc2ccc(F)cc2)CC2CCCO2)ccc1-n1cnnn1,0,0.0,
+Cc1cc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)CC2CCCO2)ccc1-n1cnnn1,0,0.0,
+Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N(C)C)cc2)ccc1-n1cnnn1,0,0.0,
+Cc1cc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)ccc1-n1cnnn1,0,0.0,
+Cc1cc(S(=O)(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)ccc1F,0,0.0,
+Cc1cc(S(=O)(=O)N2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)ccc1-n1cnnn1,0,0.0,
+Cc1cc(S(=O)(=O)N2CCCC2)c(C)s1,0,0.0,
+Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCOCC1,0,0.0,
+Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCc1ccco1,0,0.0,
+Cc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(C)c1N1CCCC1=O,0,0.0,
+Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)s1,0,0.0,
+Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1F,0,0.0,
+Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)s1,0,0.0,
+Cc1cc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)ccc1F,0,0.0,
+Cc1cc(S(=O)(=O)N2CCN(c3ncccn3)CC2)ccc1-n1cnnn1,0,0.0,
+Cc1cc(S(=O)(=O)N2CCOCC2)ccc1F,0,0.0,
+Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+Cc1cc(S(=O)(=O)NC2CCCC2)ccc1F,0,0.0,
+Cc1cc(S(=O)(=O)NC2CCCCC2)c(C)s1,0,0.0,
+Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccccn1,0,0.0,
+Cc1cc(S(=O)(=O)NCC(=O)O)ccc1F,0,0.0,
+Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CCOCC1,0,0.0,
+Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCc1ccccn1,0,0.0,
+Cc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1F,0,0.0,
+Cc1cc(S(=O)(=O)NCCN(C)C)c(C)s1,0,0.0,
+Cc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)s1,0,0.0,
+Cc1cc(S(=O)(=O)NCCc2ccccc2)c(C)s1,0,0.0,
+Cc1cc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)s1,0,0.0,
+Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N1CCN(C)CC1,0,0.0,
+Cc1cc(S(=O)(=O)NCc2cccnc2)ccc1-n1cnnn1,0,0.0,
+Cc1cc(S(=O)(=O)NCc2ccco2)c(C)s1,0,0.0,
+Cc1cc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)ccc1F,0,0.0,
+Cc1cc(S(=O)(=O)Nc2cccc(O)c2)c(C)s1,0,0.0,
+Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Cl,0,0.0,
+Cc1cc(S(=O)(=O)Nc2ccccc2C)ccc1F,0,0.0,
+Cc1cc(S(=O)(=O)Nc2cccnc2)c(C)s1,0,0.0,
+Cc1cc(S(=O)(=O)n2cnc3ccccc32)c(C)cc1Cl,0,0.0,
+Cc1cc(SCC#N)n2nc(C)c(-c3ccccc3)c2n1,0,0.0,
+Cc1cc(SCC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)nc2ccccc12,0,0.0,
+Cc1cc(SCC(=O)N2CCCC2)nc2ccccc12,0,0.0,
+Cc1cc(SCC(=O)N2CCCCC2)nc(C)n1,0,0.0,
+Cc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2c(C)cccc12,0,0.0,
+Cc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2ccccc12,0,0.0,
+Cc1cc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n2c(nc3ccccc32)c1C#N,0,0.0,
+Cc1cc(SCC(=O)Nc2ccccc2)nc(C)n1,0,0.0,
+Cc1cc(SCC(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)cc1Br,0,0.0,
+Cc1cc(SCC(=O)c2ccccc2)n2nc(C)nc2n1,0,0.0,
+Cc1cc(SCC(=O)c2ccccc2)nc(C)n1,0,0.0,
+Cc1cc(SCC(N)=O)nc(SCC(=O)c2ccccc2)n1,0,0.0,
+Cc1cc(SCCC(=O)O)nc2ccccc12,0,0.0,
+Cc1cc(SCNC(=O)c2ccccc2)ncn1,0,0.0,
+Cc1cc(SCc2ccccc2)nc(=O)[nH]1,0,0.0,
+Cc1cc([P+](=O)O)c(C)n1-c1ccc(Br)cc1,0,0.0,
+Cc1cc2c(=O)n(C)c(SCC(=O)c3cc4ccccc4o3)nc2s1,0,0.0,
+Cc1cc2c(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cnc2s1,0,0.0,
+Cc1cc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)cnc2s1,0,0.0,
+Cc1cc2c(=O)n(CC(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)cnc2s1,0,0.0,
+Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCCc4ccccc43)nc2s1,0,0.0,
+Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)NCc3ccco3)nc2s1,0,0.0,
+Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)c3ccc(Cl)s3)nc2s1,0,0.0,
+Cc1cc2c(=O)n(NC(N)=O)c(C)nc2s1,0,0.0,
+Cc1cc2c(C(F)(F)F)cc(=O)oc2c2c1NCCC2,0,0.0,
+Cc1cc2c(C)cc(=O)oc2c2c1NCCC2,0,0.0,
+Cc1cc2c(C)nc(-c3ccccc3)nc2o1,0,0.0,
+Cc1cc2c(C)nc(Cc3ccccc3)nc2o1,0,0.0,
+Cc1cc2c(N3CCCCC3C)ncnc2s1,0,0.0,
+Cc1cc2c(N=O)c(NO)ccc2[nH]1,0,0.0,
+Cc1cc2c(c(=O)n1C)C(Cc1ccccc1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1C1CC1)C(c1cccc(Cl)c1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1CC1CCCO1)C(c1ccc3c(c1)OCO3)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1CC1CCCO1)C(c1ccco1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1CCCn1ccnc1)C(c1ccco1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1CCN(C)C)C(c1ccc(Br)cc1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1CCN(C)C)C(c1ccc(Cl)cc1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1CCN(C)C)C(c1ccccc1Br)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1CCN(C)C)C(c1ccncc1)C(C#N)=C(N)O2,1,100.0,0.0
+Cc1cc2c(c(=O)n1CCc1ccccc1)C(C(C)C)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)C(c1cccnc1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1Cc1ccccn1)C(C(C)C)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1Cc1ccccn1)C(c1ccc3c(c1)OCO3)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1Cc1ccccn1)C(c1cccs1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1Cc1cccnc1)C(Cc1ccccc1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1Cc1cccnc1)C(c1ccc(F)cc1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1Cc1cccnc1)C(c1ccccc1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)n1Cc1ccco1)C(c1cccnc1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)o1)C(C(C)C)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)o1)C(C13C=CC(CC1)C3)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)o1)C(CC(C)C)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)o1)C(Cc1ccccc1)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)o1)C1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(=O)o1)C1(C(=O)N(CC(=O)O)c3ccccc31)C(C#N)=C(N)O2,0,0.0,
+Cc1cc2c(c(C)nn2-c2ccccc2)c(=O)o1,0,0.0,
+Cc1cc2c(c(N)n1)c(=O)oc1ccccc12,0,0.0,
+Cc1cc2c(c(N3CCOCC3)n1)C(=O)OC2,0,0.0,
+Cc1cc2c(c(SCC(=O)N(C)c3ccccc3)n1)C(=O)OC2,0,0.0,
+Cc1cc2c(c(Sc3ccccc3)n1)C(=O)OC2,0,0.0,
+Cc1cc2c(cc(C(=O)N3CCC(C(=O)NC4CCCC4)CC3)n2Cc2c(F)cccc2Cl)o1,0,0.0,
+Cc1cc2c(cc(C(=O)NCCCN3CCOCC3)n2Cc2ccc(Cl)cc2)o1,0,0.0,
+Cc1cc2c(cc(C(=O)NCc3cccnc3)n2Cc2ccc(Cl)cc2)o1,0,0.0,
+Cc1cc2c(cc(C(=O)O)n2C)s1,0,0.0,
+Cc1cc2c(cc(C(=O)OC(C(=O)NCc3ccco3)C(C)C)n2C)o1,0,0.0,
+Cc1cc2c(cc(C(=O)OCC(=O)NCc3cccs3)n2C(C)C)o1,0,0.0,
+Cc1cc2c(cc1C)-c1nnnn1C(C)(C)C2,0,0.0,
+Cc1cc2c(cc1C)/C(=C\C(N)=O)NC(C)(C)C2,0,0.0,
+Cc1cc2c(cc1C)C(=O)NC(C)(C)C2,0,0.0,
+Cc1cc2c(cc1C)N(CC(=O)N1CCCC1)C(=O)CC(c1ccccc1)=N2,0,0.0,
+Cc1cc2c(cc1C)NC(CC(=O)NCc1ccccc1)C(=O)N2,0,0.0,
+Cc1cc2c(cc1C)NC(c1c(C)n(C)n(-c3ccccc3)c1=O)C1=C(CC(C)(C)CC1=O)N2,0,0.0,
+Cc1cc2c(cc1C)NC(c1ccccn1)C1=C(CC(C)(C)CC1=O)N2,1,100.0,
+Cc1cc2c(cc1C)NC(c1cccnc1)C1=C(CC(C)(C)CC1=O)N2,0,0.0,
+Cc1cc2c(cc1C)NC1(C(=O)Nc3ccccc31)C1=C(CC(C)(C)CC1=O)N2,0,0.0,
+Cc1cc2c(ccc3[nH]onc32)n1,0,0.0,
+Cc1cc2c(ccc3c2no[n+]3[O-])nn1,0,0.0,
+Cc1cc2c(nn1)CCC/C2=N\O,0,0.0,
+Cc1cc2c(nn1)CCc1nonc1-2,0,0.0,
+Cc1cc2c(s1)CCCCC(=O)N2,0,0.0,
+Cc1cc2c(s1)NC(=O)CN=C2c1cccs1,0,0.0,
+Cc1cc2c(s1)c1cnn(CC(=O)NCCc3ccccc3)c(=O)c1n2C,1,100.0,
+Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C,0,0.0,
+Cc1cc2c3c(c1)C1(C(=O)N3C(C)(C)CC2C)C(C#N)=C(N)Oc2cc(O)ccc21,0,0.0,
+Cc1cc2c3c(c1C)C1(C(=O)N3C(C)(C)CC2C)C(C#N)=C(N)Oc2n[nH]c(C)c21,0,0.0,
+Cc1cc2c3nonc3ccc2n1-c1ccccc1,0,0.0,
+Cc1cc2c3nonc3ccc2n1C,0,0.0,
+Cc1cc2cc(C(c3nnnn3CC3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(C(c3nnnn3Cc3ccco3)N3CCc4ccccc43)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(C(c3nnnn3Cc3ccco3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2cc1C,0,0.0,
+Cc1cc2cc(CCNC(=O)C(C)C)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CCNC(=O)CC(C)(C)C)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CCNC(=O)CC(C)C)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CCNC(=O)c3c(-c4ccccc4Cl)noc3C)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CCNC(=O)c3ccc(Br)o3)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CCNS(C)(=O)=O)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CN(C(=O)C3CC3)C3CCCC3)c3nnnn3c2cc1C,0,0.0,
+Cc1cc2cc(CN(CC3CCCO3)C(=O)c3cnccn3)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3cnccn3)c3nnnn3c2cc1C,0,0.0,
+Cc1cc2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C3CCCC3)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CN(Cc3ccco3)C(=O)C3CCCCC3)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)c(=O)[nH]c2cc1C,0,0.0,
+Cc1cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2[nH]1,0,0.0,
+Cc1cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2n1C,0,0.0,
+Cc1cc2cc(CNC(=O)C3CC3)ccc2n1C,0,0.0,
+Cc1cc2cc(CNC(=O)C3CCCC3)ccc2n1C,0,0.0,
+Cc1cc2cc(CNC(=O)CC(C)C)ccc2n1C,0,0.0,
+Cc1cc2cc(CNC(=O)CCC(=O)O)ccc2[nH]1,0,0.0,
+Cc1cc2cc(CNC(=O)Cc3cccs3)ccc2n1C,0,0.0,
+Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2[nH]1,0,0.0,
+Cc1cc2cc(CNC(=O)Nc3ccccc3)ccc2n1C,0,0.0,
+Cc1cc2cc(CNC(=O)c3cc4ccccc4o3)ccc2n1C,0,0.0,
+Cc1cc2cc(CNC(=O)c3ccc(Br)o3)ccc2[nH]1,0,0.0,
+Cc1cc2cc(CNC(=O)c3ccc(Br)o3)ccc2n1C,0,0.0,
+Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2n1C,0,0.0,
+Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2[nH]1,0,0.0,
+Cc1cc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc2[nH]1,0,0.0,
+Cc1cc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc2n1C,0,0.0,
+Cc1cc2cc(CNC(=O)c3ccco3)ccc2n1C,0,0.0,
+Cc1cc2cc(CNC(=O)c3cccs3)ccc2n1C,0,0.0,
+Cc1cc2cc(CNS(=O)(=O)N(C)C)ccc2[nH]1,0,0.0,
+Cc1cc2cc(CNS(=O)(=O)c3ccccc3)ccc2n1C,0,0.0,
+Cc1cc2cc3c(cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1)OCO3,0,0.0,
+Cc1cc2cc3c(cc2nc1SCC(=O)O)OCCO3,0,0.0,
+Cc1cc2ccc(C)c(C)c2nc1SCC#N,0,0.0,
+Cc1cc2ccccc2c(=O)[nH]1,0,0.0,
+Cc1cc2ccccc2c(=O)n1CC(=O)N(C)c1ccc(F)cc1,0,0.0,
+Cc1cc2ccccc2c(=O)n1CC(=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+Cc1cc2ccccc2c(=O)n1CC(=O)NC1CCCCCC1,0,0.0,
+Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N(C)Cc1ccccc1,0,0.0,
+Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCCC1,0,0.0,
+Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+Cc1cc2ccccc2c(=O)n1CC(=O)NCC1COc2ccccc2O1,0,0.0,
+Cc1cc2ccccc2c(=O)n1CC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+Cc1cc2ccccc2c(=O)n1CC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1cc2ccccc2cc(C)c1=O,0,0.0,
+Cc1cc2ccccc2cc1CN1CCOCC1,0,0.0,
+Cc1cc2ccccc2n1CCNC(=O)C(C)(C)C,0,0.0,
+Cc1cc2ccccc2n1CCNC(=O)C(C)C,0,0.0,
+Cc1cc2ccccc2n1CCNC(=O)C1CC1,0,0.0,
+Cc1cc2ccccc2n1CCNC(=O)C1CCCC1,0,0.0,
+Cc1cc2ccccc2n1CCNC(=O)COc1ccccc1,0,0.0,
+Cc1cc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+Cc1cc2ccccc2n1CCNC(=O)c1ccccc1,0,0.0,
+Cc1cc2ccccc2n1CCNC(=O)c1cccs1,0,0.0,
+Cc1cc2ccccc2n2c(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)nnc12,0,0.0,
+Cc1cc2ccccc2nc1SCC(=O)N1CCCC1,0,0.0,
+Cc1cc2ccccn2c1C(=O)c1ccncc1,0,0.0,
+Cc1cc2n(c1)CCn1c(C)ccc1-2,0,0.0,
+Cc1cc2n(n1)C(c1c[nH]c3ccccc13)Nc1ccccc1-2,0,0.0,
+Cc1cc2n(n1)C(c1ccc(N(C)C)cc1)Nc1ccccc1-2,0,0.0,
+Cc1cc2n(n1)C(c1ccc(O)cc1)Nc1ccccc1-2,0,0.0,
+Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1c(C)cccc1-2,0,0.0,
+Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2,0,0.0,
+Cc1cc2n(n1)C(c1ccccc1)Nc1ccccc1-2,0,0.0,
+Cc1cc2n(n1)C(c1ccccc1Cl)Nc1ccccc1-2,0,0.0,
+Cc1cc2n(n1)C(c1ccco1)Nc1ccccc1-2,0,0.0,
+Cc1cc2n(n1)C(c1ccsc1)Nc1ccccc1-2,0,0.0,
+Cc1cc2n(n1)C(c1cn(-c3ccccc3)nc1C)Nc1ccccc1-2,0,0.0,
+Cc1cc2n(n1)C(c1sccc1C)Nc1c(C)cccc1-2,0,0.0,
+Cc1cc2n(n1)C(c1sccc1C)Nc1ccccc1-2,0,0.0,
+Cc1cc2n(n1)SC(Nc1ccccc1)N2,0,0.0,
+Cc1cc2nc(-c3ccc(NC(=O)C(C)C)cc3)oc2cc1C,0,0.0,
+Cc1cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)oc2cc1C,0,0.0,
+Cc1cc2nc(-c3ccc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)nc3)[nH]c2cc1C,0,0.0,
+Cc1cc2nc(-c3ccc(SCC(=O)N4CCOCC4)nc3)[nH]c2cc1C,0,0.0,
+Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Br)o4)c3C)oc2cc1C,0,0.0,
+Cc1cc2nc(-c3cccnc3SCC(=O)NCc3ccco3)[nH]c2cc1C,0,0.0,
+Cc1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,0,0.0,
+Cc1cc2nc(C(F)(F)F)[nH]c(=O)n2n1,0,0.0,
+Cc1cc2nc(C)c(Cc3ccccc3)c(=O)n2[nH]1,0,0.0,
+Cc1cc2nc(C)n(CCCN)c2cc1C,0,0.0,
+Cc1cc2nc(C)n(CCCNC(=O)Nc3ccc(C#N)cc3)c2cc1C,1,100.0,1.0
+Cc1cc2nc(C)n3c4ccccc4nc3n2n1,0,0.0,
+Cc1cc2nc(C3CCN(CC4COc5ccccc5O4)CC3)[nH]c2cc1C,0,0.0,
+Cc1cc2nc(C3CCN(Cc4nnnn4Cc4cccs4)CC3)[nH]c2cc1C,0,0.0,
+Cc1cc2nc(NC3=NCN(CCCN4CCOCC4)CN3)nc(C)c2cc1C,1,100.0,1.0
+Cc1cc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2cc1C,1,100.0,
+Cc1cc2nc(NC3=NCN(Cc4ccc5c(c4)OCO5)CN3)nc(C)c2cc1C,1,100.0,
+Cc1cc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2cc1C,1,100.0,
+Cc1cc2nc(SC(C)C(=O)O)[nH]c2cc1C,0,0.0,
+Cc1cc2nc(SCC(=O)Nc3nonc3C)c3c(c2cc1C)CCCC3,0,0.0,
+Cc1cc2nc(SCC(=O)O)nc(C)c2cc1C,0,0.0,
+Cc1cc2nc(SCCN3CCCC3)[nH]c2cc1C,1,100.0,0.0
+Cc1cc2nc3c(c(=O)n2[nH]1)CCCC3,0,0.0,
+Cc1cc2nc3c(nc2cc1C)C1(C(=O)O)CCC3(C)C1(C)C,0,0.0,
+Cc1cc2ncc(-c3ccc(Cl)cc3)c(N)n2n1,0,0.0,
+Cc1cc2ncc(C(=O)Nc3ccccc3)c(C)n2n1,0,0.0,
+Cc1cc2ncn(-c3ncnc4sc(C)c(C)c34)c2cc1C,0,0.0,
+Cc1cc2ncn(-c3nnnn3-c3ccccc3)c2cc1C,0,0.0,
+Cc1cc2ncn(/N=C/c3cc(Br)ccc3O)c2cc1C,0,0.0,
+Cc1cc2ncn(/N=C/c3cccnc3)c2cc1C,0,0.0,
+Cc1cc2ncn(C(=O)N3CCCCC3)c2cc1C,0,0.0,
+Cc1cc2ncn(C(=O)N3CCOCC3)c2cc1C,0,0.0,
+Cc1cc2ncn(C(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)c2cc1C,0,0.0,
+Cc1cc2ncn(C(=O)c3c(-c4ccccc4)noc3C)c2cc1C,0,0.0,
+Cc1cc2ncn(C(=O)c3c(-c4ccccc4Cl)noc3C)c2cc1C,1,100.0,1.0
+Cc1cc2ncn(C(=O)c3ccc4c(c3)OCO4)c2cc1C,0,0.0,
+Cc1cc2ncn(C3CC(=O)N(Cc4ccc(N5CCCC5=O)cc4)C3=O)c2cc1C,0,0.0,
+Cc1cc2ncn(C3CC(=O)N(Cc4ccccc4)C3=O)c2cc1C,0,0.0,
+Cc1cc2ncn(CC(O)COC3CCCCC3)c2cc1C,0,0.0,
+Cc1cc2ncn(CCOc3ccccc3C#N)c2cc1C,0,0.0,
+Cc1cc2ncn(N)c2cc1C,0,0.0,
+Cc1cc2ncn(S(=O)(=O)N3CCCCC3)c2cc1C,0,0.0,
+Cc1cc2ncn(S(=O)(=O)N3CCOCC3)c2cc1C,0,0.0,
+Cc1cc2ncn(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2cc1C,0,0.0,
+Cc1cc2nn(-c3cccc4ccccc34)nc2cc1N,0,0.0,
+Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccs1,0,0.0,
+Cc1cc2nnc(SC(C)C#N)n2c2ccccc12,0,0.0,
+Cc1cc2nnc(SC3CCOC3=O)n2c2ccccc12,0,0.0,
+Cc1cc2nnc(SCC(=O)N3C(C)CCCC3C)n2c(N)n1,0,0.0,
+Cc1cc2nnc(SCC(=O)NCc3ccco3)n2c2ccccc12,0,0.0,
+Cc1cc2nnc(SCC(=O)NCc3cccs3)n2c(N)n1,0,0.0,
+Cc1cc2nnc(SCc3ccccc3)n2c(N)n1,0,0.0,
+Cc1cc2nncn2c(Cc2ccccc2)n1,0,0.0,
+Cc1cc2nsnc2c(S(=O)(=O)N2CCN=C2Cc2ccccc2)c1C,0,0.0,
+Cc1cc2nsnc2c(S(=O)(=O)NCC(=O)O)c1C,0,0.0,
+Cc1cc2oc(=O)c3c(c2cc1OC(=O)c1ccco1)CCCC3,0,0.0,
+Cc1cc2oc(=O)c3c(c2cc1OCc1nn[nH]n1)CCCC3,0,0.0,
+Cc1cc2oc(=O)cc(C)c2c(=O)o1,0,0.0,
+Cc1cc2oc(=O)cc(C)c2cc1NC(=O)CCC(=O)O,0,0.0,
+Cc1cc2oc(=O)cc(CN3CCC(C)CC3)c2c(C)c1Cl,0,0.0,
+Cc1cc2oc(=O)cc(CN3CCC(C)CC3)c2cc1Cl,0,0.0,
+Cc1cc2oc(=O)cc(CN3CCCCC3)c2cc1C(C)C,0,0.0,
+Cc1cc2oc(=O)cc(CN3CCCCC3C)c2c(C)c1Cl,0,0.0,
+Cc1cc2oc(=O)cc(CN3CCCc4ccccc43)c2cc1C,0,0.0,
+Cc1cc2oc(=O)cc(CN3CCN(C/C=C/c4ccccc4)CC3)c2cc1O,0,0.0,
+Cc1cc2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1C,0,0.0,
+Cc1cc2oc(=O)cc(CN3CCN(Cc4ccccc4)CC3)c2cc1Cl,0,0.0,
+Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c2cc1C,0,0.0,
+Cc1cc2oc(=O)cc(CN3CCc4ccccc43)c2cc1Cl,0,0.0,
+Cc1cc2oc(=O)cc(COC(=O)c3cccc(N(C)C)c3)c2cc1C,0,0.0,
+Cc1cc2oc(=O)cc(Cn3ccnc3)c2cc1C,0,0.0,
+Cc1cc2oc(C(=O)N(Cc3ccco3)C3CCS(=O)(=O)C3)cc(=O)c2cc1Cl,0,0.0,
+Cc1cc2oc(C(=O)NC3CCS(=O)(=O)C3)c(C)c2cc1C,0,0.0,
+Cc1cc2oc(C(=O)NCc3ccc4c(c3)OCO4)c(C)c2cc1C,0,0.0,
+Cc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1C,0,0.0,
+Cc1cc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c2cc1C,0,0.0,
+Cc1cc2oc(C(=O)Nc3cccnc3)c(C)c2cc1C,0,0.0,
+Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(C(C)C)cc1)N(CCCN1CCOCC1)C3=O,0,0.0,
+Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(F)cc1)N(CCCN1CCOCC1)C3=O,0,0.0,
+Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(Br)c1)N(Cc1ccco1)C3=O,0,0.0,
+Cc1cc2occ(CC(=O)NC3=NCCS3)c2cc1C(C)C,0,0.0,
+Cc1cc2occ(CC(=O)O)c2cc1C,0,0.0,
+Cc1ccc(-c2[nH]c(=O)n3ccncc23)s1,0,0.0,
+Cc1ccc(-c2[nH]n3c(=O)c4c(nc3c2C)CCCC4)cc1,0,0.0,
+Cc1ccc(-c2[nH]nc3c2C(c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1,0,0.0,
+Cc1ccc(-c2[nH]nc3c2C(c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1,0,0.0,
+Cc1ccc(-c2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)cc1,0,0.0,
+Cc1ccc(-c2[nH]nc3c2C(c2ccoc2)C(C#N)=C(N)O3)cc1C,0,0.0,
+Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)o1,0,0.0,
+Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)o1,0,0.0,
+Cc1ccc(-c2c(C(=O)N3CCOCC3)oc(=O)c3ccccc23)cc1,0,0.0,
+Cc1ccc(-c2c(C)n([O-])c3c([n+]2=O)CCC3)o1,0,0.0,
+Cc1ccc(-c2c(C)n([O-])c3c([n+]2=O)CCCCC3)o1,0,0.0,
+Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(C)cc(C)nn23)cc1,1,100.0,
+Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3nnc4ccccc4n23)cc1,0,0.0,
+Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2O)cc1,0,0.0,
+Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-n2cnnc2)cc1,0,0.0,
+Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCCN2CCOCC2)cc1,0,0.0,
+Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccccn2)cc1,0,0.0,
+Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2cccnc2)cc1,0,0.0,
+Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2N2CCOCC2)cc1,0,0.0,
+Cc1ccc(-c2c3c([nH]c(=S)c2C#N)CCCC3)o1,0,0.0,
+Cc1ccc(-c2cc(-c3ccc(C)o3)nc(N)c2C#N)cc1,0,0.0,
+Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(N)n2)o1,0,0.0,
+Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(C#N)c(N)n2)o1,0,0.0,
+Cc1ccc(-c2cc(-c3cccc(F)c3)n[nH]2)c(O)c1,0,0.0,
+Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)n2)o1,0,0.0,
+Cc1ccc(-c2cc(-c3ccccc3Cl)[nH]n2)c(O)c1,0,0.0,
+Cc1ccc(-c2cc(-c3ccccc3Cl)c(C#N)c(N)n2)o1,0,0.0,
+Cc1ccc(-c2cc(-c3nnc(SCC(=O)N(C)CCC#N)n3N)c3ccccc3n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)N3CCCC3)no2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)no2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)NC3=NCCS3)c3cc(Br)ccc3n2)o1,0,0.0,
+Cc1ccc(-c2cc(C(=O)NCC3CCCO3)no2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3cc(Br)ccc3n2)o1,0,0.0,
+Cc1ccc(-c2cc(C(=O)NCCN3CCOCC3)no2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)[nH]n2)c(O)c1C,1,100.0,0.0
+Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)no2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)NCc3ccccn3)no2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)o1,0,0.0,
+Cc1ccc(-c2cc(C(=O)NCc3ccco3)no2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)NCc3cccs3)no2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)Nc3c(C#N)cnn3C)no2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]n2)c(O)c1,0,0.0,
+Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)[nH]n2)c(O)c1,0,0.0,
+Cc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1,0,0.0,
+Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)o1,0,0.0,
+Cc1ccc(-c2cc(C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)no2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(=O)O)n[nH]2)o1,0,0.0,
+Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1,0,0.0,
+Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC#N)n2)o1,0,0.0,
+Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCC4)cc3n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCN(C)CC4)c3n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(c5ccccn5)CC4)c3n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCCC5C4)c3n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(C)on4)c3n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(F)F)nc(N3CCC(C)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(F)F)nc(NCC3CCCO3)n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C(F)F)nc(NCc3cccnc3)n2)cc1,0,0.0,
+Cc1ccc(-c2cc(C)nc3ncnn23)cc1,0,0.0,
+Cc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1,0,0.0,
+Cc1ccc(-c2cc3nc(C)cc(NCc4ccco4)n3n2)cc1,0,0.0,
+Cc1ccc(-c2cc3nc4c(c(=O)n3[nH]2)CCCC4)cc1,0,0.0,
+Cc1ccc(-c2ccc(/C=N/c3ncn[nH]3)o2)cc1Cl,0,0.0,
+Cc1ccc(-c2ccc(/C=N/n3cnnc3)o2)cc1Cl,0,0.0,
+Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(C)c4)C(C)C3)n2)cc1,0,0.0,
+Cc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCCC3)n2)cc1,0,0.0,
+Cc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCCC3C)n2)cc1,0,0.0,
+Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN(C)C)n2)cc1,0,0.0,
+Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN3C(C)CCCC3C)n2)cc1,0,0.0,
+Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN3CCCCC3C)n2)cc1,0,0.0,
+Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(=O)N4CCN(C)CC4)c3)n2)cc1,0,0.0,
+Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCN3CCCCC3C)n2)cc1,0,0.0,
+Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccn3)n2)cc1,0,0.0,
+Cc1ccc(-c2ccc(C(=O)O)[nH]2)cc1,0,0.0,
+Cc1ccc(-c2ccc(CCC(=O)O)n2C(C)C)cc1,0,0.0,
+Cc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)O)cc1,0,0.0,
+Cc1ccc(-c2ccc(CCC(=O)O)n2Cc2ccco2)cc1,0,0.0,
+Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccco2)cc1,0,0.0,
+Cc1ccc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cc1,0,0.0,
+Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1,0,0.0,
+Cc1ccc(-c2ccc(SCC(=O)Nc3nonc3C)nn2)cc1,0,0.0,
+Cc1ccc(-c2cccc(NC(=O)C3C(C(=O)O)[C@@H]4C=C[C@H]3C4)c2)o1,0,0.0,
+Cc1ccc(-c2ccccc2NC(=O)C2C3C=CC(C3)C2C(=O)O)o1,0,0.0,
+Cc1ccc(-c2cn(S(=O)(=O)c3cccc4nsnc34)nc2N)cc1,0,0.0,
+Cc1ccc(-c2cn3c(=S)[nH]nc3s2)cc1,0,0.0,
+Cc1ccc(-c2cn3c(n2)CCCC3)cc1,0,0.0,
+Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C,0,0.0,
+Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(Br)o1,0,0.0,
+Cc1ccc(-c2cn3nc(C)c(C)nc3n2)cc1,0,0.0,
+Cc1ccc(-c2cnc(-c3ccncc3)o2)cc1,0,0.0,
+Cc1ccc(-c2cnc(N)n2C)cc1C,0,0.0,
+Cc1ccc(-c2cnc(NC(=O)CCC(=O)N3CCCCC3)n2C)cc1,0,0.0,
+Cc1ccc(-c2csc(/C(C#N)=C(\O)CN3CCN(C(=O)c4ccco4)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2csc(=S)n2CC(=O)OCC(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccco3)n2)cc1,0,0.0,
+Cc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccco3)n2)cc1,0,0.0,
+Cc1ccc(-c2csc(N)n2)s1,0,0.0,
+Cc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2csc(N3CCC(NS(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2csc(NC(=O)CSc3ncn(-c4ccccc4)n3)n2)cc1,0,0.0,
+Cc1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)o1,0,0.0,
+Cc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)n2)cc1,0,0.0,
+Cc1ccc(-c2csc(NC(=O)c3ccno3)n2)cc1,0,0.0,
+Cc1ccc(-c2csc3n[nH]c(=S)n23)cc1,0,0.0,
+Cc1ccc(-c2csc3nc(=O)c(C)nn23)cc1,0,0.0,
+Cc1ccc(-c2csc3nc(C)n(-n4c(C)ccc4C)c(=O)c23)o1,0,0.0,
+Cc1ccc(-c2csc3nc(C)n(-n4cccc4)c(=O)c23)o1,0,0.0,
+Cc1ccc(-c2csc3ncn(-n4c(C)ccc4C)c(=O)c23)o1,0,0.0,
+Cc1ccc(-c2csc3ncn(/N=C/N(C)C)c(=O)c23)o1,0,0.0,
+Cc1ccc(-c2csc3ncnc(-n4nc(C)cc4N)c23)cc1,0,0.0,
+Cc1ccc(-c2csc3ncnc(OCC(=O)NC(=O)NCc4ccco4)c23)cc1,0,0.0,
+Cc1ccc(-c2csc3ncnc(Sc4nnc(CN5CCCCCC5=O)o4)c23)cc1,0,0.0,
+Cc1ccc(-c2csc3nnc(SCC(=O)N4CCN(Cc5ccccc5)CC4)n23)cc1,0,0.0,
+Cc1ccc(-c2csc3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)n23)cc1,0,0.0,
+Cc1ccc(-c2csc3nnc(SCC(=O)NCc4ccco4)n23)cc1,1,100.0,0.0
+Cc1ccc(-c2csc3nnc(SCC(=O)Nc4cccc(C)n4)n23)cc1,0,0.0,
+Cc1ccc(-c2csc3nnc(SCC(=O)Nc4nsc(-c5ccccc5)n4)n23)cc1,0,0.0,
+Cc1ccc(-c2csc3nnc(SCc4csc(C)n4)n23)cc1,0,0.0,
+Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1N,0,0.0,
+Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)NCCN1CCOCC1,0,0.0,
+Cc1ccc(-c2n[nH]c(=S)n2C)cc1,0,0.0,
+Cc1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1,0,0.0,
+Cc1ccc(-c2nc(-c3ccccn3)no2)cc1,0,0.0,
+Cc1ccc(-c2nc(-c3ccccn3)no2)cc1Cl,0,0.0,
+Cc1ccc(-c2nc(-c3cccnc3)no2)c(C)c1,0,0.0,
+Cc1ccc(-c2nc(-c3cccnc3)no2)cc1,0,0.0,
+Cc1ccc(-c2nc(=S)c3c(n2CCN2CCOCC2)CC(C)(C)OC3)cc1,0,0.0,
+Cc1ccc(-c2nc(=S)c3c(n2Cc2ccco2)CC(C)(C)OC3)cc1,0,0.0,
+Cc1ccc(-c2nc(=S)c3c(n2Cc2ccco2)CCCC3)cc1,0,0.0,
+Cc1ccc(-c2nc(C#N)c(N3CCCCC3)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C#N)c(NCCc3ccccn3)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C#N)c(NCc3cccc4c3OCO4)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C(=O)NC3CCCCCC3)no2)cc1,0,0.0,
+Cc1ccc(-c2nc(C)sc2CC(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(-c2nc(C3CCCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)C3)no2)cc1,0,0.0,
+Cc1ccc(-c2nc(C3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)no2)cc1,0,0.0,
+Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)no2)cc1,0,0.0,
+Cc1ccc(-c2nc(C3CCN(S(C)(=O)=O)CC3)no2)cc1,0,0.0,
+Cc1ccc(-c2nc(CN(C)C)cc(CN(C)C)c2O)cc1,0,0.0,
+Cc1ccc(-c2nc(COC(=O)c3c(C)noc3C)cs2)cc1,0,0.0,
+Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CC(C)CC(C)C3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCCCCC3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NC3CCCCC3C)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCCCN3CCN(C)CC3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)N3CCC4(CC3)OCCO4)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)N3CCN(c4ncccn4)CC3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NC3CCC(C)CC3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NC3CCCC3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCC(C)C)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCCN3CC(C)CC(C)C3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCN(CC(C)C)CC(C)C)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCN3CCCC3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCN3CCOCC3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccccc3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(C[S+]([O-])CC(=O)NCc3ccccn3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(CSCC(=O)N3CCCC3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(CSCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(CSCC(=O)N3CCN(c4ccccn4)CC3)c(C)o2)cc1,1,100.0,
+Cc1ccc(-c2nc(CSCC(=O)N3CCOCC3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(CSCC(=O)NCCCN3CCOCC3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(CSCC(=O)NCCN3CCN(Cc4ccccc4)CC3)c(C)o2)cc1,1,100.0,1.0
+Cc1ccc(-c2nc(CSCC(=O)NCc3cccnc3)c(C)o2)cc1,0,0.0,
+Cc1ccc(-c2nc(N)n(C(=O)Cc3ccccc3)n2)cc1,0,0.0,
+Cc1ccc(-c2nc(N)n(C(=O)c3cccnc3)n2)cc1,0,0.0,
+Cc1ccc(-c2nc(N)n(S(C)(=O)=O)n2)cc1,0,0.0,
+Cc1ccc(-c2nc(NC(=O)CSc3nnc(C)s3)ns2)cc1,0,0.0,
+Cc1ccc(-c2nc(NC(=O)CSc3nnc4scc(-c5ccccc5)n34)ns2)cc1,0,0.0,
+Cc1ccc(-c2nc(NC(=O)CSc3nnnn3-c3ccccc3)ns2)cc1,0,0.0,
+Cc1ccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)cc1,0,0.0,
+Cc1ccc(-c2nc(Nc3ccccc3)n[nH]2)cc1,0,0.0,
+Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(SCC(=O)NCC3CCCO3)o2)cc1,0,0.0,
+Cc1ccc(-c2nc3c(=O)n(C)c4ccccc4c3o2)cc1,0,0.0,
+Cc1ccc(-c2nc3cc(C)ccc3o2)cc1,0,0.0,
+Cc1ccc(-c2nc3cc(N)ccc3o2)c(C)c1,0,0.0,
+Cc1ccc(-c2nc3cc(N)ccc3o2)cc1,0,0.0,
+Cc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1,0,0.0,
+Cc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1C,0,0.0,
+Cc1ccc(-c2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3[nH]2)o1,0,0.0,
+Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccco1,0,0.0,
+Cc1ccc(-c2nc3ccccc3[nH]2)s1,0,0.0,
+Cc1ccc(-c2nc3ccccc3c(=O)n2-n2cccc2)cc1,0,0.0,
+Cc1ccc(-c2nc3ccccc3c(=O)n2CCCN2CCOCC2)cc1,0,0.0,
+Cc1ccc(-c2nc3ccccc3c(=O)n2CCCn2ccnc2)cc1,0,0.0,
+Cc1ccc(-c2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1,0,0.0,
+Cc1ccc(-c2nc3ccccc3n3nnnc23)cc1,0,0.0,
+Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc2c(c1)OCO2,0,0.0,
+Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)COc1ccc(Cl)cc1C,0,0.0,
+Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccco1,0,0.0,
+Cc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)o1,0,0.0,
+Cc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)o1,0,0.0,
+Cc1ccc(-c2nc3cnccn3c2Nc2ccccc2)o1,0,0.0,
+Cc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1,0,0.0,
+Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)Cc1ccc(Cl)cc1,0,0.0,
+Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc2ccccc2o1,0,0.0,
+Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccco1,0,0.0,
+Cc1ccc(-c2nc3ncccn3c2NC(=O)C2CC2)cc1,0,0.0,
+Cc1ccc(-c2nc3ncccn3c2NC2CCCC2)o1,0,0.0,
+Cc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)o1,0,0.0,
+Cc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)o1,0,0.0,
+Cc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1,0,0.0,
+Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCCN(C)C)cc23)cc1,0,0.0,
+Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2cccc(C#N)c2)o1,0,0.0,
+Cc1ccc(-c2nn(-c3ccccc3)cc2C2SCC(=O)N2Cc2ccccc2)o1,0,0.0,
+Cc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccccc2)C(=O)CCC(=O)O)o1,0,0.0,
+Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CN1CCOCC1,0,0.0,
+Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)CN1CCOCC1,0,0.0,
+Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)CSc1nc2ccccc2o1,0,0.0,
+Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccco1,0,0.0,
+Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CO,0,0.0,
+Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)N1CCCC1,0,0.0,
+Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NCCN1CCOCC1,0,0.0,
+Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NCCO,0,0.0,
+Cc1ccc(-c2nn(CC(=O)NCC3CCCO3)c(=O)c3ccccc23)cc1,0,0.0,
+Cc1ccc(-c2nn(CC(=O)NCCN3CCOCC3)c(=O)c3ccccc23)cc1,1,100.0,0.0
+Cc1ccc(-c2nn(CC(=O)NCc3ccco3)c(=O)c3ccccc23)cc1,0,0.0,
+Cc1ccc(-c2nn(CC(=O)Nc3ccc4c(c3)nc3n4CCOC3)c(=O)c3ccccc23)cc1,0,0.0,
+Cc1ccc(-c2nn(CC(=O)O)c(=O)c3ccccc23)cc1,0,0.0,
+Cc1ccc(-c2nn(CCC(=O)NCC3CCCO3)c(=O)c3ccccc23)cc1,0,0.0,
+Cc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1,0,0.0,
+Cc1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)cc1S(=O)(=O)NCC1CCCO1,0,0.0,
+Cc1ccc(-c2nn3c(=O)c(C)nnc3s2)cc1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)N1CCN(CCO)CC1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NCc1ccco1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1N,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C(C)C,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(Br)cc1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(Cl)cc1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)CSc1ccc(Cl)cc1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(Br)o1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(OC(C)C)cc1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccnc1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccco1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccs1,0,0.0,
+Cc1ccc(-c2nn3c(C)nnc3s2)cc1NCc1c(F)cccc1Cl,0,0.0,
+Cc1ccc(-c2nn3nnnc3c3ccccc23)cc1,0,0.0,
+Cc1ccc(-c2nn[nH]n2)cc1,0,0.0,
+Cc1ccc(-c2nn[nH]n2)o1,0,0.0,
+Cc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)o1,0,0.0,
+Cc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccco4)cc3)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(-c3cccc(Br)c3)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1Br,0,0.0,
+Cc1ccc(-c2nnc(COc3cccc(-n4cnnn4)c3)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(CSc3nc(C)nc4sc(C)c(C)c34)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(CSc3nc4cc5c(cc4cc3C)OCO5)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(CSc3nnc(C)s3)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(CSc3nnc(COc4ccccc4)n3-c3ccc(C)cc3)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(CSc3nnc(COc4ccccc4)n3-c3ccccc3)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(CSc3nnc4c5c(C)c(C)sc5nc(C(C)C)n34)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(CSc3nncn3N)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(N(C)C(=O)C3CCCO3)s2)cn1,0,0.0,
+Cc1ccc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1,0,0.0,
+Cc1ccc(-c2nnc(N(C)C(=O)c3cccnc3)s2)cn1,0,0.0,
+Cc1ccc(-c2nnc(N(C)C(=O)c3ccncc3)s2)cn1,0,0.0,
+Cc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1,0,0.0,
+Cc1ccc(-c2nnc(N3CCN(C(=O)CN4C(=O)c5ccccc5C4=O)CC3)c3ccccc23)cc1,0,0.0,
+Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCOCC4)CC3)c3ccccc23)cc1,0,0.0,
+Cc1ccc(-c2nnc(N3CCN(C(=O)CSc4ncn[nH]4)CC3)c3ccccc23)cc1,1,100.0,0.0
+Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)c3ccccc23)cc1,1,100.0,1.0
+Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)c3ccccc23)cc1,0,0.0,
+Cc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1,1,100.0,
+Cc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1S(=O)(=O)NCC1CCCO1,0,0.0,
+Cc1ccc(-c2nnc(Nc3ccccc3)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(OCCN3CCOCC3)c3ccccc23)cc1,0,0.0,
+Cc1ccc(-c2nnc(SC(C)C#N)n2N)cc1,0,0.0,
+Cc1ccc(-c2nnc(SCC(=O)N3CC(C)CC(C)C3)o2)cc1C,0,0.0,
+Cc1ccc(-c2nnc(SCC(=O)N3CCCC3)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)n2N)cc1,0,0.0,
+Cc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(SCC(=O)N3c4ccccc4NC(=O)C3(C)C)n2N)cc1,0,0.0,
+Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1,0,0.0,
+Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3N3CCOCC3)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc(SCC(=O)Nc3nc4c(s3)CCCC4)n2C)cc1,1,100.0,0.0
+Cc1ccc(-c2nnc(SCC(=O)O)n2N)cc1,0,0.0,
+Cc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1,0,0.0,
+Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)c1ccco1,0,0.0,
+Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCN(C)CC1,0,0.0,
+Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCN(CCO)CC1,0,0.0,
+Cc1ccc(-c2nnc3ccc(SC(C)C(=O)O)nn23)cc1,0,0.0,
+Cc1ccc(-c2nnc3ccc(SCC(=O)N4CCCCC4)nn23)cc1,0,0.0,
+Cc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1,0,0.0,
+Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4cc(C)on4)nn23)cc1,0,0.0,
+Cc1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,0,0.0,
+Cc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1,0,0.0,
+Cc1ccc(-c2nnc3n2N=C(c2ccccc2Br)CS3)cc1,0,0.0,
+Cc1ccc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc1,0,0.0,
+Cc1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1,0,0.0,
+Cc1ccc(-c2nnc3sc(C4COc5ccccc5O4)nn23)cc1,1,100.0,0.0
+Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)C)c3cnc4ccccc4c3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cnc4ccccc4c3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3cnc4ccccc4c3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCC3CCCO3)c3ccc(F)c(Cl)c3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCC3CCCO3)c3ccccc3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCc3ccccc3)c3cccc(C)c3C)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(CCO)C(C(=O)NC(C)(C)C)c3ccncc3)n2)cc1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)C(C(=O)NC(C)(C)C)c3ccncc3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)C(C(=O)NC3CCCC3)c3ccncc3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC(C)(C)C)c3ccco3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)C(C(=O)NC3CCCC3)c3ccco3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)c(-n2cnnn2)c1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4)CC3)n2)o1,1,100.0,0.0
+Cc1ccc(-c2nnn(CC(=O)N3CCN(c4nc5ccccc5s4)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)NC3CC4CCC3C4)n2)cc1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)NCC3COCCO3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)NCCc3ccc4c(c3)OCO4)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)c(-n2cnnn2)c1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n2)cc1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)Nc3cccc4c3CCCC4)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)Nc3cccc4cccnc34)n2)o1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3-c3ccccc3)n2)c(-n2cnnn2)c1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1,0,0.0,
+Cc1ccc(-c2nnn(CC(=O)O)n2)cc1,0,0.0,
+Cc1ccc(-c2nnn(CCC(=O)N3CCCCC3C)n2)cc1,0,0.0,
+Cc1ccc(-c2nnn(CCC(=O)NC3CCCC3)n2)cc1,0,0.0,
+Cc1ccc(-c2nnn(CCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1,0,0.0,
+Cc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,0,0.0,
+Cc1ccc(-c2nnnn2CS(=O)(=O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(-c2noc(-c3ccccc3Br)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(-c3ccccc3C(=O)N3CCCC3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(-c3ccccc3C(=O)N3CCN(C)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(-c3ccccc3C(=O)NCC3CCCO3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(-c3cccs3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(C3CCCN(C(=O)C4CCCCC4)C3)n2)o1,0,0.0,
+Cc1ccc(-c2noc(C3CCCN(C(=O)c4c(F)cccc4F)C3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(C3CCCN(C(=O)c4ccc(F)cc4F)C3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4)C3)n2)o1,0,0.0,
+Cc1ccc(-c2noc(C3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)n2)o1,0,0.0,
+Cc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)o1,0,0.0,
+Cc1ccc(-c2noc(C3CCN(S(C)(=O)=O)CC3)n2)o1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)N(C)c3ccccc3C)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)N3CCCC3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)N3CCCc4ccccc43)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)NC3CCCc4ccccc43)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)NCC3CCN(Cc4cccc(C)c4)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)n2)cc1,1,100.0,
+Cc1ccc(-c2noc(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)n2)cc1,1,100.0,
+Cc1ccc(-c2noc(CCC(=O)NCCN3CCN(Cc4ccccc4)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)NCCN3CCOCC3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)NCCN3CCc4ccccc4C3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)NCCc3ccccc3Cl)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)Nc3cc(C)ccn3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cn3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)Nc3cccc(C#N)c3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3C)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3N3CCN(C)CC3)n2)cc1,1,100.0,1.0
+Cc1ccc(-c2noc(CCC(N)=O)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCCC(=O)N3CCOCC3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CN(C(=O)CCCCCN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CN(C(=O)c3cccc(Br)c3)C(C)C)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CN(C(=O)c3cccs3)C(C)C)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CN3C(C)CCCC3C)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CN3CCC(C(N)=O)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CN3CCN(Cc4ccccc4)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CN3CCN(c4ccccc4F)CC3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CNCCCN(C)C)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(COc3ccccc3C)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CSc3nnnn3-c3ccccc3)n2)cc1,0,0.0,
+Cc1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1,0,0.0,
+Cc1ccc(-c2nsc3c(N4CCC(C(N)=O)CC4)ncnc23)cc1,0,0.0,
+Cc1ccc(-c2nsc3c(N4CCN(C(=O)c5ccco5)CC4)ncnc23)cc1,0,0.0,
+Cc1ccc(-c2oc3ccccc3c(=O)c2O)cc1,0,0.0,
+Cc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(-c2sc(C)nc2CC(=O)O)cc1,0,0.0,
+Cc1ccc(-n2[nH]c(C)c(/C=N/c3ccccn3)c2=O)cc1,0,0.0,
+Cc1ccc(-n2[nH]c(C)c(/C=N/n3c(C)nc4ccccc4c3=O)c2=O)cc1,0,0.0,
+Cc1ccc(-n2[nH]c(C)c(C=Nc3cc(C)ccn3)c2=O)cc1,0,0.0,
+Cc1ccc(-n2[nH]c(C)c(C=Nc3ccc(C)cn3)c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(-c3cccnc3)n[nH]c2=S)cc1,0,0.0,
+Cc1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1,0,0.0,
+Cc1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1,0,0.0,
+Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C)o4)nc32)cc1,0,0.0,
+Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(CC(C)C)nc32)cc1,0,0.0,
+Cc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1C,0,0.0,
+Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1C,0,0.0,
+Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1,0,0.0,
+Cc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)COC(C(C)C)C4)cc1,0,0.0,
+Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC3)c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(=O)cc(N3CC(C)CC(C)C3)[nH]c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(=O)cc(N3CCC(C)CC3)[nH]c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(=O)cc(N3CCCCCC3)[nH]c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(=O)cc(N3CCN(C(=O)c4ccco4)CC3)[nH]c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(=O)cc(N3CCc4ccccc4C3)[nH]c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(=O)cc(NCc3cccnc3)[nH]c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1,0,0.0,
+Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)noc3C)c2C)cc1,0,0.0,
+Cc1ccc(-n2c(C)cc(C(=O)CSc3nncs3)c2C)cc1,0,0.0,
+Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1,1,100.0,0.0
+Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3)c2C)cc1,0,0.0,
+Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3)c2C)cc1,0,0.0,
+Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1Cl,0,0.0,
+Cc1ccc(-n2c(C)cc(C3N=C(N)Nc4nc5ccccc5n43)c2C)c(C)c1,0,0.0,
+Cc1ccc(-n2c(C)cc3c2CCCC3=O)cc1,0,0.0,
+Cc1ccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)cc1C,0,0.0,
+Cc1ccc(-n2c(C)nc3oc4ccccc4c(=O)c3c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)N2CCCC2)cc1,0,0.0,
+Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)N2CCCC2)cc1,0,0.0,
+Cc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)Nc2nccs2)cc1,0,0.0,
+Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCc3ccccc32)cc1,0,0.0,
+Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC2CCCCC2)cc1,0,0.0,
+Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cc(C)on2)cc1,0,0.0,
+Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2nnc(C)s2)cc1,0,0.0,
+Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(N)=O)cc1,0,0.0,
+Cc1ccc(-n2c(Cn3cnc4ccccc43)nnc2SCC(=O)O)cc1,0,0.0,
+Cc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)sc2=S)cc1,0,0.0,
+Cc1ccc(-n2c(N)c(C(=O)N3CCCCC3)sc2=S)cc1,0,0.0,
+Cc1ccc(-n2c(N)c(C(=O)N3CCN(C)CC3)sc2=S)cc1,0,0.0,
+Cc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)c(C)c1,0,0.0,
+Cc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)cc1,0,0.0,
+Cc1ccc(-n2c(N)c(C(N)=O)sc2=S)c(C)c1,0,0.0,
+Cc1ccc(-n2c(N)c(C(N)=O)sc2=S)cc1,0,0.0,
+Cc1ccc(-n2c(O)c(/C=N/n3cnnc3)c3ccccc3c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(O)c(C=NC3CCCC3)c(=O)[nH]c2=O)c(C)c1,0,0.0,
+Cc1ccc(-n2c(O)c(C=NC3CCCCC3N)c(=O)[nH]c2=O)cc1C,0,0.0,
+Cc1ccc(-n2c(O)c(C=NCCN3CCOCC3)c(=O)[nH]c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(O)c(C=NCc3cccnc3)c(=O)[nH]c2=O)cc1C,0,0.0,
+Cc1ccc(-n2c(O)c(C=Nc3ccccc3N)c(=O)[nH]c2=O)cc1C,0,0.0,
+Cc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c(c2=O)SCC3)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2cccnc2)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2cccnc2)cc1C,0,0.0,
+Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccncc2)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nc3c(c2=O)SCC3)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)NCC3CCCO3)nc3c(c2=O)SCC3)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)NCC3CCCO3)nc3n[nH]c(C)c3c2=N)cc1Cl,0,0.0,
+Cc1ccc(-n2c(SCC(=O)NCC3CCCO3)nnc2-c2ccoc2C)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3nc4c(cc3c2=O)COC(C)(C)C4)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3sc(C)c(C)c3c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2cccnc2)c(C)c1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2ccoc2C)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(c2=O)SC(C)C3)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc2-c2ccco2)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-c2cccs2)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-c2ccoc2C)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)Nc3ccc4cn[nH]c4c3)nnc2-c2ccco2)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SCC3)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccccn2)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccco2)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccncc2)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2cnccn2)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(N)=O)nc3c([nH]c4ccccc43)c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccn2)cc1,0,0.0,
+Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccn2)cc1C,0,0.0,
+Cc1ccc(-n2c(SCC(N)=O)nnc2-c2cccnc2)c(C)c1,0,0.0,
+Cc1ccc(-n2c(SCC3CCCCO3)nnc2-c2ccco2)cc1,0,0.0,
+Cc1ccc(-n2c(SCc3cc(=O)n4ccsc4n3)nnc2-c2cccnc2)c(C)c1,0,0.0,
+Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccn2)cc1,0,0.0,
+Cc1ccc(-n2c(SCc3cn4ccsc4n3)nc3ccccc3c2=O)cc1,0,0.0,
+Cc1ccc(-n2c(SCc3nnc4n3CCC4)nnc2-c2ccccc2)cc1,0,0.0,
+Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2cccnc2)c(C)c1,0,0.0,
+Cc1ccc(-n2c3c(cc(C(=O)N4CCN(C)CC4)c2=O)C(=O)CC(C)(C)C3)cc1,0,0.0,
+Cc1ccc(-n2c3c(cc(C(=O)NC4CCSC4=O)c2=O)C(=O)CC(C)(C)C3)cc1,0,0.0,
+Cc1ccc(-n2c3c(cc(C(=O)NC4CCSC4=O)c2=O)C(=O)CCC3)cc1,0,0.0,
+Cc1ccc(-n2c3c(cc(C(=O)NCCCN4CCOCC4)c2=O)C(=O)CC(C)(C)C3)cc1,0,0.0,
+Cc1ccc(-n2c3c(cc(C(=O)NCc4ccco4)c2=O)C(=O)CC(C)(C)C3)cc1,0,0.0,
+Cc1ccc(-n2c3c(cc(C(=O)Nc4cccc(C)n4)c2=O)C(=O)CCC3)cc1,0,0.0,
+Cc1ccc(-n2c3c(cc(C(=O)O)c2=O)C(=O)CC(C)(C)C3)cc1,0,0.0,
+Cc1ccc(-n2cc(-c3ccccc3)[nH]c2=O)cc1F,0,0.0,
+Cc1ccc(-n2cc(C(C)(C)C)[nH]c2=S)cc1,0,0.0,
+Cc1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1C,0,0.0,
+Cc1ccc(-n2cccc2C(=S)N=P(N(C)C)(N(C)C)N(C)C)cc1,0,0.0,
+Cc1ccc(-n2ccnc2SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)c(C)c1,0,0.0,
+Cc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1,0,0.0,
+Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+Cc1ccc(-n2cnnn2)c2cccnc12,0,0.0,
+Cc1ccc(-n2nc(-c3ccc(N)cc3)cc2N)cc1,0,0.0,
+Cc1ccc(-n2nc(-c3cccnc3)cc2C(=O)N2CCOCC2)c(C)c1,0,0.0,
+Cc1ccc(-n2nc(-c3ccco3)cc2C(=O)NCc2cccnc2)cc1,0,0.0,
+Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)NCC2CCCO2)c(C)c1,0,0.0,
+Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)c3c4ccccc4n(C)c3c2=O)cc1,0,0.0,
+Cc1ccc(-n2nc(C(=O)NCc3ccco3)c3c4ccccc4n(C)c3c2=O)cc1,0,0.0,
+Cc1ccc(-n2nc(C)c(C3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c2Cl)cc1,0,0.0,
+Cc1ccc(-n2nc(C)c(C3C(C#N)=C(N)OC4=C3C(=O)CCC4)c2Cl)cc1,0,0.0,
+Cc1ccc(-n2nc(C)c3c(-c4cccs4)c(C#N)c(N)nc32)cc1,0,0.0,
+Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCc4ccco4)c(C)nc32)cc1,0,0.0,
+Cc1ccc(-n2nc(C)c3c2NC(=O)CSC3c2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccc(F)cc2)cc1,0,0.0,
+Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccccc2F)cc1,0,0.0,
+Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccco2)cc1,0,0.0,
+Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2cccs2)cc1,0,0.0,
+Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccncc2)cc1,0,0.0,
+Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccoc2)cc1,0,0.0,
+Cc1ccc(-n2nc(C)c3cc(C(=O)O)sc32)cc1,0,0.0,
+Cc1ccc(-n2nc3c([n+]2[O-])CCc2c-3no[n+]2[O-])cc1,0,0.0,
+Cc1ccc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)c(C)c1,0,0.0,
+Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCCC2)C[S+]([O-])C3)cc1,0,0.0,
+Cc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CS(=O)(=O)C3)c(C)c1,0,0.0,
+Cc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CSC3)cc1,0,0.0,
+Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)c(C)c1,0,0.0,
+Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)C[S+]([O-])C3)cc1,0,0.0,
+Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CSC3)c(C)c1,0,0.0,
+Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)C[S+]([O-])C3)cc1,0,0.0,
+Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)CSC3)c(C)c1,0,0.0,
+Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)CSC3)cc1,0,0.0,
+Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Br)C[S+]([O-])C3)cc1,0,0.0,
+Cc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CSC3)cc1,0,0.0,
+Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccco4)cc3n2)cc1,0,0.0,
+Cc1ccc(-n2nc3ccc(N)cc3n2)cc1,0,0.0,
+Cc1ccc(-n2ncc(-c3nnc(SCC(=O)NC4CCCC4)o3)c2N)cc1C,0,0.0,
+Cc1ccc(-n2ncc(C#N)c2/N=C/N(C)C)cc1,0,0.0,
+Cc1ccc(-n2ncc(C#N)c2/N=C/N2CCCCCC2)cc1,1,100.0,1.0
+Cc1ccc(-n2ncc(C#N)c2/N=C/N2CCN(C)CC2)cc1,0,0.0,
+Cc1ccc(-n2ncc(C#N)c2/N=C/N2CCOCC2)cc1,0,0.0,
+Cc1ccc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2NC(=O)c2ccco2)cc1C,0,0.0,
+Cc1ccc(-n2ncc(C(=O)NCc3ccc4c(c3)OCO4)c2NC(=O)c2ccco2)cc1C,0,0.0,
+Cc1ccc(-n2ncc(C(=O)O)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)[nH]c(SC(C)C)nc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)[nH]c(SCC(=O)N4CCC(C)CC4)nc32)cc1C,0,0.0,
+Cc1ccc(-n2ncc3c(=O)[nH]c(SCC(=O)N4CCCC4)nc32)cc1C,0,0.0,
+Cc1ccc(-n2ncc3c(=O)[nH]c(SCC(=O)N4CCCCC4)nc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)[nH]c(SCC(=O)N4CCCc5ccccc54)nc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)[nH]c(SCC(=O)N4CCN(c5ccccc5)CC4)nc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)[nH]c(SCC(=O)N4CCOCC4)nc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)[nH]cnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(-c4ccc(C)c(C)c4)c(C)nc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(CC#N)cnc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(CC#N)cnc32)cc1C,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCCCC4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1C,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCC4)cnc32)cc1C,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCCC4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCCC4)cnc32)cc1C,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1C,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)cnc32)cc1C,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(Cc4ccccn4)cnc32)cc1C,0,0.0,
+Cc1ccc(-n2ncc3c(=O)n(Cc4cccnc4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(N4CCC5(CC4)OCCO5)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(N4CCCC(C)C4)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(N4CCCC4)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(N4CCN(c5ccc(F)cc5)CC4)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(NCC4CCCO4)ncnc32)c(C)c1,1,100.0,0.0
+Cc1ccc(-n2ncc3c(NCCCN4CCCC4=O)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(NCCCOC(C)C)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(NCc4ccccc4)ncnc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c(Nc4c(C)n(C)n(-c5ccccc5)c4=O)ncnc32)c(C)c1,0,0.0,
+Cc1ccc(-n2ncc3c2ncn2c(-c4ccncc4)nnc32)cc1,0,0.0,
+Cc1ccc(-n2ncc3c2ncn2c(C)nnc32)cc1C,0,0.0,
+Cc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)c(C)c1,0,0.0,
+Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCC(C)CC4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCC4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCOCC4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2nnc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2nnc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2nnc3c(=O)n(Cc4cc(C)ccc4C)cnc32)cc1,0,0.0,
+Cc1ccc(-n2nnc3c(=O)n(Cc4cccc(C)c4)cnc32)cc1,0,0.0,
+Cc1ccc(-n2nnc3c(=O)n(Cc4ccccc4C)cnc32)cc1,0,0.0,
+Cc1ccc(-n2nnc3c(=O)oc4ccccc4c32)cc1,0,0.0,
+Cc1ccc(-n2nnc3c(SCC(=O)N4CCN(c5ccccc5)CC4)ncnc32)cc1,0,0.0,
+Cc1ccc(-n2nnc3c(SCC(=O)NCC4CCCO4)ncnc32)cc1,1,100.0,0.0
+Cc1ccc(-n2nnc3c(SCC(=O)NCc4ccco4)ncnc32)cc1,0,0.0,
+Cc1ccc(-n2nnc3ccccc3c2=O)cc1C,0,0.0,
+Cc1ccc(-n2nnnc2SC(C)C(=O)Nc2ccc(Cl)cn2)cc1,0,0.0,
+Cc1ccc(-n2nnnc2SC(C)C(N)=O)c(C)c1,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc3C2)c(C)c1,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc3C2)cc1,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)NCCC2=CCCCC2)c(C)c1,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)COC3=O)cc1C,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1C,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)cc1C,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c(C)c1,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1,1,100.0,
+Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(CC3CCCO3)c2C)cc1,0,0.0,
+Cc1ccc(-n2nnnc2SCC(=O)c2nnc(-c3ccc(Cl)cc3)o2)cc1,0,0.0,
+Cc1ccc(-n2nnnc2SCC(N)=O)c(C)c1,0,0.0,
+Cc1ccc(-n2nnnc2SCCNS(=O)(=O)c2ccccc2)cc1C,0,0.0,
+Cc1ccc(-n2nnnc2SCc2nnc(-c3ccccc3Br)o2)c(C)c1,0,0.0,
+Cc1ccc(-n2nnnc2SCc2nnc(-c3ccccc3Br)o2)cc1,0,0.0,
+Cc1ccc(-n2sc3ccccc3c2=O)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+Cc1ccc(/C(C#N)=C\c2cn(C)c3ccccc23)cc1,0,0.0,
+Cc1ccc(/C(COc2ccccc2O)=N\O)cc1,0,0.0,
+Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2cccnc2)cc1,0,0.0,
+Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccn2)cc1,0,0.0,
+Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)cc1,0,0.0,
+Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2ccccn2)cc1,0,0.0,
+Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2cccs2)cc1,0,0.0,
+Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(C)O)C2c2ccc(N(C)C)cc2)cc1,0,0.0,
+Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(C)O)C2c2cccc(F)c2)cc1,0,0.0,
+Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2ccccn2)cc1,0,0.0,
+Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccccc2F)cc1,0,0.0,
+Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2cccc(Br)c2)cc1,0,0.0,
+Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2cccc(Cl)c2)cc1,0,0.0,
+Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)o1,0,0.0,
+Cc1ccc(/C=C/S(=O)(=O)N2CCC(C(=O)O)CC2)cc1,0,0.0,
+Cc1ccc(/C=N/c2sc3c(c2C#N)CCC3)s1,0,0.0,
+Cc1ccc(/C=N/c2sc3c(c2C#N)CCCCC3)o1,0,0.0,
+Cc1ccc(/C=N/n2c(C)nnc2C)cc1,0,0.0,
+Cc1ccc(/C=N/n2c(C)nnc2C)s1,0,0.0,
+Cc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)o1,0,0.0,
+Cc1ccc(/C=N/n2nnnc2N)o1,0,0.0,
+Cc1ccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)o1,0,0.0,
+Cc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1,0,0.0,
+Cc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(Br)cc2)CN=3)o1,0,0.0,
+Cc1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)o1,0,0.0,
+Cc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1,0,0.0,
+Cc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)o1,0,0.0,
+Cc1ccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)o1,0,0.0,
+Cc1ccc(=O)n(C(C(=O)NCc2ccco2)C(=O)c2ccc(F)cc2)c1,0,0.0,
+Cc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+Cc1ccc(C#N)c(SCc2cc3c(cc2Cl)OCO3)n1,0,0.0,
+Cc1ccc(C(=O)/C=C/Nc2cccc(O)c2)cc1,0,0.0,
+Cc1ccc(C(=O)/C=C/Nc2ccccc2C(N)=O)o1,0,0.0,
+Cc1ccc(C(=O)/C=C/Nc2ccccn2)cc1,0,0.0,
+Cc1ccc(C(=O)C(C)OC(=O)C2=COCCO2)cc1C,0,0.0,
+Cc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(C3CCCCC3)C2)cc1,0,0.0,
+Cc1ccc(C(=O)C(NC(=O)c2ccco2)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)C23C(=O)N(C)c2ccccc23)o1,0,0.0,
+Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C23C(=O)N(C)c2ccccc23)o1,0,0.0,
+Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)C2c2ccc(OC(C)C)cc2)o1,0,0.0,
+Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c2ccccn2)o1,0,0.0,
+Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccccn2)o1,0,0.0,
+Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)C2c2cccnc2)o1,0,0.0,
+Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)C2c2ccc(Cl)cc2)o1,0,0.0,
+Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)C2c2cccc(Cl)c2)o1,0,0.0,
+Cc1ccc(C(=O)C2C(c3cccs3)NC(=O)NC2(O)C(F)(F)F)cc1,0,0.0,
+Cc1ccc(C(=O)C2CCN(CC(=O)NC3CCCCC3)CC2)cc1,1,100.0,1.0
+Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc(N(C)C)cc3)CC2)cc1,0,0.0,
+Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1,0,0.0,
+Cc1ccc(C(=O)C2CCNCC2)cc1,0,0.0,
+Cc1ccc(C(=O)C2CN3CCC2CC3)cc1,0,0.0,
+Cc1ccc(C(=O)C2COC(=O)C2)cc1,0,0.0,
+Cc1ccc(C(=O)CC(C(=O)O)c2cn(CCC#N)c3ccccc23)cc1,0,0.0,
+Cc1ccc(C(=O)CC(C(=O)O)n2ccc(C)n2)cc1,0,0.0,
+Cc1ccc(C(=O)CC(C(=O)O)n2cccn2)cc1,0,0.0,
+Cc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccc(Br)cc32)c(C)c1,1,100.0,0.0
+Cc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)o1,0,0.0,
+Cc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)o1,0,0.0,
+Cc1ccc(C(=O)CC2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1,0,0.0,
+Cc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1,0,0.0,
+Cc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3)c3ccccc32)o1,0,0.0,
+Cc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)o1,0,0.0,
+Cc1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1C,0,0.0,
+Cc1ccc(C(=O)CCC2CCCC2=O)cc1,0,0.0,
+Cc1ccc(C(=O)CCNc2ccc(Br)cc2)o1,0,0.0,
+Cc1ccc(C(=O)CCNc2cccc(Br)c2)o1,0,0.0,
+Cc1ccc(C(=O)CCNc2ccccc2)o1,0,0.0,
+Cc1ccc(C(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(C(=O)CNc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)cc1,0,0.0,
+Cc1ccc(C(=O)COC(=O)CCc2nc3ccccc3[nH]c2=O)cc1C,0,0.0,
+Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccco2)cc1,0,0.0,
+Cc1ccc(C(=O)COC(=O)c2ccc(Br)o2)cc1C,0,0.0,
+Cc1ccc(C(=O)COC(=O)c2cnccn2)cc1,0,0.0,
+Cc1ccc(C(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1,0,0.0,
+Cc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CC(C)(C)CC3=O)N2)cc1,0,0.0,
+Cc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1,0,0.0,
+Cc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)CC(=O)N2)c(C)c1,0,0.0,
+Cc1ccc(C(=O)CSC2=NC(N)=C(C#N)C3(CCCCC3)C2C(N)=O)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2ccccn2)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2n[nH]c(-c3ccco3)n2)cc1C,0,0.0,
+Cc1ccc(C(=O)CSc2n[nH]c(C)n2)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nc(C)cc(SCc3nnc(-c4ccccc4)o3)n2)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nc(N)cc(=O)[nH]2)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3o2)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2N)o1,0,0.0,
+Cc1ccc(C(=O)CSc2ncn[nH]2)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)o1,0,0.0,
+Cc1ccc(C(=O)CSc2nnc(-c3ccccc3N)n2C)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2N)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2CC2CCCO2)cc1,1,100.0,
+Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)o1,0,0.0,
+Cc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C)o1,0,0.0,
+Cc1ccc(C(=O)CSc2nnc(CNc3ccc(C)cc3C)n2Cc2ccco2)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nnc(COc3cccc4cccnc34)o2)cc1,0,0.0,
+Cc1ccc(C(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1,0,0.0,
+Cc1ccc(C(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1,0,0.0,
+Cc1ccc(C(=O)Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(C(=O)Cn2c(NCCO)nc3ccccc32)cc1,0,0.0,
+Cc1ccc(C(=O)Cn2nnc(-c3ccccc3-n3cnnn3)n2)cc1,0,0.0,
+Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)Cc2cccs2)s1,0,0.0,
+Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1,0,0.0,
+Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1C,0,0.0,
+Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1C,0,0.0,
+Cc1ccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1,0,0.0,
+Cc1ccc(C(=O)N(c2ccccn2)C(C)c2ccco2)cc1,0,0.0,
+Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1C,0,0.0,
+Cc1ccc(C(=O)N2CCCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[nH]3)C2)cc1,0,0.0,
+Cc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)Nc1ccccc1,0,0.0,
+Cc1ccc(C(=O)N2CCCCCC2)cc1Br,0,0.0,
+Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc(C)o3)CC2)o1,0,0.0,
+Cc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1,0,0.0,
+Cc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1,0,0.0,
+Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)C(C)C2)cc1C,0,0.0,
+Cc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)s1,0,0.0,
+Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)C2)cc1,0,0.0,
+Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,0,0.0,
+Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccnc4)cc3)CC2)cc1,0,0.0,
+Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C,0,0.0,
+Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1C,0,0.0,
+Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1,0,0.0,
+Cc1ccc(C(=O)N2CCOCC2)cc1Cl,0,0.0,
+Cc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)Nc1cccc(C)c1C,0,0.0,
+Cc1ccc(C(=O)N2Cc3ccccc3CC2C(=O)O)cc1,0,0.0,
+Cc1ccc(C(=O)N2c3ccc(F)cc3CCC2C)o1,0,0.0,
+Cc1ccc(C(=O)NC(C)(COc2nonc2C)COc2nonc2C)cc1,0,0.0,
+Cc1ccc(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)o1,0,0.0,
+Cc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)c1,0,0.0,
+Cc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C,0,0.0,
+Cc1ccc(C(=O)NC2CC3CCCC(C2)N3C(=O)NC2CCCCC2)cc1,0,0.0,
+Cc1ccc(C(=O)NC2CCCCCC2)cc1N1CCCC1=O,0,0.0,
+Cc1ccc(C(=O)NC2CCCCCC2)o1,0,0.0,
+Cc1ccc(C(=O)NC2CCCc3ccccc32)o1,0,0.0,
+Cc1ccc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)cc1,0,0.0,
+Cc1ccc(C(=O)NC2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+Cc1ccc(C(=O)NC2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1ccc(C(=O)NC=C(Cl)Cl)cc1,0,0.0,
+Cc1ccc(C(=O)NCC(=O)O)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+Cc1ccc(C(=O)NCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1,0,0.0,
+Cc1ccc(C(=O)NCC(C)(C)O)cc1,0,0.0,
+Cc1ccc(C(=O)NCC2CCCO2)cc1N1CCCC1=O,0,0.0,
+Cc1ccc(C(=O)NCC2CCCO2)o1,0,0.0,
+Cc1ccc(C(=O)NCCCC(=O)O)o1,0,0.0,
+Cc1ccc(C(=O)NCCCCNC(=O)c2ccc(C)o2)o1,0,0.0,
+Cc1ccc(C(=O)NCCCN2CCOCC2)cc1N1CCCC1=O,0,0.0,
+Cc1ccc(C(=O)NCCCNCCCN(C)C)cn1,0,0.0,
+Cc1ccc(C(=O)NCCCNCCCNC(=O)c2ccc(C)nc2)cn1,0,0.0,
+Cc1ccc(C(=O)NCCCn2ccnc2)o1,0,0.0,
+Cc1ccc(C(=O)NCCN(C)C)c(C)c1,0,0.0,
+Cc1ccc(C(=O)NCCN2CCOCC2)cc1Cl,0,0.0,
+Cc1ccc(C(=O)NCCNC(=O)CN2CCCC2)cc1,0,0.0,
+Cc1ccc(C(=O)NCCNC(=O)CN2CCOCC2)cc1,0,0.0,
+Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3cc(C)on3)c3ccccc32)cc1,0,0.0,
+Cc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3nnc(C)s3)c3ccccc32)cc1,0,0.0,
+Cc1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)o1,0,0.0,
+Cc1ccc(C(=O)NCc2ccc(Cl)cc2)o1,0,0.0,
+Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1N1CCCC1=O,0,0.0,
+Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+Cc1ccc(C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)cc1,0,0.0,
+Cc1ccc(C(=O)NCc2occc2C(=O)O)o1,0,0.0,
+Cc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)cnn2-c2ccccc2)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2c(C(=O)NCc3ccco3)cnn2-c2ccccc2)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1C,0,0.0,
+Cc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1C,0,0.0,
+Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)o1,0,0.0,
+Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)o1,0,0.0,
+Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)o1,0,0.0,
+Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)o1,0,0.0,
+Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)o1,0,0.0,
+Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1,0,0.0,
+Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)o1,0,0.0,
+Cc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3C)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)o1,0,0.0,
+Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+Cc1ccc(C(=O)Nc2ccccc2C(N)=O)o1,0,0.0,
+Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1C,0,0.0,
+Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C)o2)o1,0,0.0,
+Cc1ccc(C(=O)Nc2ccncc2)o1,0,0.0,
+Cc1ccc(C(=O)Nc2cnc3sc(C)nn3c2=O)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2nc(COc3ccccc3)cs2)s1,0,0.0,
+Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)o1,0,0.0,
+Cc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)s1,0,0.0,
+Cc1ccc(C(=O)Nc2nc3ccccc3c(=O)s2)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2nc3ccccc3s2)s1,0,0.0,
+Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1,0,0.0,
+Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)o1,0,0.0,
+Cc1ccc(C(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCCC1,0,0.0,
+Cc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1C,0,0.0,
+Cc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)o1,0,0.0,
+Cc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1ccc(C(=O)Nc2nnn(C)n2)cc1,0,0.0,
+Cc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCCCC3)o1,0,0.0,
+Cc1ccc(C(=O)O)c(C(=O)Nc2nc(C)cs2)c1,0,0.0,
+Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC(C(=O)O)CC1,0,0.0,
+Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCSCC1,0,0.0,
+Cc1ccc(C(=O)O)cc1S(=O)(=O)NCC1CCCO1,0,0.0,
+Cc1ccc(C(=O)OC2CCOC2=O)cc1NC(=O)c1ccco1,0,0.0,
+Cc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)s1,0,0.0,
+Cc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)s1,0,0.0,
+Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)o1,0,0.0,
+Cc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1NC(=O)c1ccco1,0,0.0,
+Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)c1ccco1,0,0.0,
+Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)s1,0,0.0,
+Cc1ccc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc1,0,0.0,
+Cc1ccc(C(=O)OCc2cn3ccccc3n2)cc1,0,0.0,
+Cc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)o1,0,0.0,
+Cc1ccc(C(=O)Oc2ccc3c(c2)ncn3C)cc1,0,0.0,
+Cc1ccc(C(=O)c2cc(C)sc2NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+Cc1ccc(C(=O)c2cc3c(cc2N)OCCO3)cc1,0,0.0,
+Cc1ccc(C(=O)c2ccc(O)cc2)cc1C,0,0.0,
+Cc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,0,0.0,
+Cc1ccc(C(=O)c2cn[nH]c2-c2cc(Cl)ccc2O)cc1,0,0.0,
+Cc1ccc(C(=O)c2cncc(Br)c2)cc1,0,0.0,
+Cc1ccc(C(=O)c2coc3ccc(O)c(CN4CCN(C)CC4)c23)cc1,0,0.0,
+Cc1ccc(C(=O)c2coc3ccc(OCC(=O)O)cc23)cc1,0,0.0,
+Cc1ccc(C(=O)c2nocc2C(=O)c2cccs2)cc1,0,0.0,
+Cc1ccc(C(=O)n2cnnc2N)cc1C,0,0.0,
+Cc1ccc(C(C#N)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2cccc(F)c2)o1,0,0.0,
+Cc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2F)o1,0,0.0,
+Cc1ccc(C(C(=O)NC(C)(C)C)N(CC2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1,0,0.0,
+Cc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2csnn2)C2CCCC2)o1,0,0.0,
+Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2csnn2)o1,0,0.0,
+Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)o1,1,100.0,0.0
+Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1,0,0.0,
+Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)CNC(=O)c2cccs2)o1,0,0.0,
+Cc1ccc(C(C(=O)NC2CCCC2)N2CCCCC2)cc1,1,100.0,1.0
+Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)o1,0,0.0,
+Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CCCC2)o1,0,0.0,
+Cc1ccc(C(C(=O)NC2CCCCC2)N(CC2CCCO2)C(=O)CNC(=O)c2ccco2)cc1,0,0.0,
+Cc1ccc(C(C(=O)NC2CCCCC2)N(CCC(C)C)C(=O)CNC(=O)c2ccco2)o1,0,0.0,
+Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2cccnc2)C(=O)C2COc3ccccc3O2)o1,0,0.0,
+Cc1ccc(C(C(=O)NC2CCCCC2)N2CCCC2)cc1,1,100.0,1.0
+Cc1ccc(C(C(=O)NC2CCCCC2)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(C(C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)o1,0,0.0,
+Cc1ccc(C(C(=O)NCc2ccc(F)cc2)N(C(=O)c2csnn2)C2CC2)o1,0,0.0,
+Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)o1,0,0.0,
+Cc1ccc(C(C(=O)NCc2ccco2)N(CC2CCCO2)C(=O)Cn2nnc3ccccc32)cc1,0,0.0,
+Cc1ccc(C(C(=O)NCc2ccco2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)o1,0,0.0,
+Cc1ccc(C(C(=O)NCc2ccco2)N(Cc2ccco2)C(=O)CNC(=O)c2ccco2)cc1,0,0.0,
+Cc1ccc(C(C)C)c(OCC(=O)N2CCOCC2)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cn2)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2N2CCN(C)CC2)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCC(=O)OCc2c(C)noc2C)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCC(O)CN2CC(C)OC(C)C2)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCC(O)CN2CCOCC2)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCCCN2CC(C)OC(C)C2)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCCN)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCCNS(C)(=O)=O)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCCn2c(=O)oc3ccccc32)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCc2ccc(-c3nnco3)cc2)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCc2nc(-c3nonc3N)no2)c1,1,100.0,0.0
+Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ncc(C)s3)n2C)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3nccs3)n2C)c1,0,0.0,
+Cc1ccc(C(C)C)c(OCc2nnc3n2CCCCC3)c1,0,0.0,
+Cc1ccc(C(C)C)c(Oc2nnnn2-c2ccccc2)c1,0,0.0,
+Cc1ccc(C(C)C)cc1C(=O)CC1(O)C(=O)N(C)c2ccccc21,0,0.0,
+Cc1ccc(C(C)C)cc1S(=O)(=O)NCc1cccnc1,0,0.0,
+Cc1ccc(C(C)NC(=O)C2CCCO2)cc1C,0,0.0,
+Cc1ccc(C(C)NC(=O)c2c(C)noc2C)cc1C,0,0.0,
+Cc1ccc(C(C)NC(=O)c2cc(C)oc2C)cc1,0,0.0,
+Cc1ccc(C(C)NC(=O)c2ccco2)cc1C,0,0.0,
+Cc1ccc(C(C)n2cc(C(=O)NCCN3CCN(C)CC3)nn2)cc1,0,0.0,
+Cc1ccc(C(C)n2cc(C(=O)NCc3cccnc3)nn2)cc1,0,0.0,
+Cc1ccc(C(C)n2cc(C(=O)NCc3ccncc3)nn2)cc1,0,0.0,
+Cc1ccc(C(CC(=O)N2CCCC2)c2ccccc2)c(O)c1C,0,0.0,
+Cc1ccc(C(CC(=O)N2CCOCC2)c2ccco2)cc1,0,0.0,
+Cc1ccc(C(CC(=O)O)Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1,0,0.0,
+Cc1ccc(C(CC(=O)c2ccco2)SCCO)cc1,0,0.0,
+Cc1ccc(C(CCN)c2ccco2)cc1,0,0.0,
+Cc1ccc(C(N)=O)cc1S(=O)(=O)Nc1cccc(C)c1C,0,0.0,
+Cc1ccc(C(N)=S)c(C)c1,0,0.0,
+Cc1ccc(C(NC(=O)N2CCOCC2)=C(Cl)Cl)cc1F,0,0.0,
+Cc1ccc(C(O)CN2C3=NCCN3c3ccccc32)cc1,0,0.0,
+Cc1ccc(C(O)c2cccnc2)o1,0,0.0,
+Cc1ccc(C(O)c2nc3ccccc3n2C(C)C)cc1,0,0.0,
+Cc1ccc(C(O)c2nccn2C)o1,0,0.0,
+Cc1ccc(C(OC(=O)c2ccco2)C(=O)NCc2cccs2)cc1,0,0.0,
+Cc1ccc(C(c2nnnn2C(C)(C)C)N(Cc2ccco2)Cc2cccs2)cc1,0,0.0,
+Cc1ccc(C(c2nnnn2C(C)(C)C)N2CCN(C3CCCC3)CC2)cc1,0,0.0,
+Cc1ccc(C(c2nnnn2C(C)(C)C)N2CCc3ccccc3C2)cc1,0,0.0,
+Cc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+Cc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(c3cccc(C)c3C)CC2)cc1,0,0.0,
+Cc1ccc(C(c2nnnn2CCC(C)C)N2CCN(C)CC2)cc1,0,0.0,
+Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCSCC2)cc1,0,0.0,
+Cc1ccc(C(c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCC(C(N)=O)CC2)cc1,0,0.0,
+Cc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+Cc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc1,0,0.0,
+Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(CCO)CC2)cc1,0,0.0,
+Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(c3ccc(F)cc3)CC2)cc1,0,0.0,
+Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3F)CC2)cc1,0,0.0,
+Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(C(c2sc3ncnn3c2O)N2CC(C)CC(C)C2)cc1,0,0.0,
+Cc1ccc(C(c2sc3ncnn3c2O)N2CCC(C)CC2)cc1,0,0.0,
+Cc1ccc(C(c2sc3ncnn3c2O)N2CCCCC2)cc1,0,0.0,
+Cc1ccc(C)c(-c2nc3cc(N)ccc3o2)c1,0,0.0,
+Cc1ccc(C)c(-c2nc3ccc(N)cc3[nH]2)c1,0,0.0,
+Cc1ccc(C)c(-c2nnc(OCC(=O)Nc3cc(C)on3)c3ccccc23)c1,0,0.0,
+Cc1ccc(C)c(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)N2CCc3ccccc32)c1,0,0.0,
+Cc1ccc(C)c(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2nccs2)c1,0,0.0,
+Cc1ccc(C)c(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2nnc(C)s2)c1,0,0.0,
+Cc1ccc(C)c(-n2c(CNc3ccc(F)cc3)nnc2SCC(N)=O)c1,0,0.0,
+Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1,0,0.0,
+Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCC2CCCO2)c1,0,0.0,
+Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCc2ccco2)c1,0,0.0,
+Cc1ccc(C)c(-n2c(N)c(C(N)=O)sc2=S)c1,0,0.0,
+Cc1ccc(C)c(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccn2)c1,0,0.0,
+Cc1ccc(C)c(-n2c(SCC(=O)NCC3CCCO3)nnc2-c2ccoc2C)c1,0,0.0,
+Cc1ccc(C)c(-n2c(SCC(=O)Nc3nnc(C)s3)nnc2-c2ccoc2C)c1,0,0.0,
+Cc1ccc(C)c(-n2c(SCC(=O)Nc3nonc3C)nnc2-c2ccoc2C)c1,0,0.0,
+Cc1ccc(C)c(-n2c(SCC(N)=O)nnc2-c2ccccn2)c1,0,0.0,
+Cc1ccc(C)c(-n2nnnc2SCC(=O)NCCC2=CCCCC2)c1,0,0.0,
+Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1,0,0.0,
+Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)c1,0,0.0,
+Cc1ccc(C)c(-n2nnnc2Sc2nnnn2-c2ccccc2)c1,0,0.0,
+Cc1ccc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccc(C)o2)c1,0,0.0,
+Cc1ccc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccco2)c1,0,0.0,
+Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2cccnc2)c1,0,0.0,
+Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2cccnc2)c1,0,0.0,
+Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCn3ccnc3)C2c2ccncc2)c1,0,0.0,
+Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)C2c2cccnc2)c1,0,0.0,
+Cc1ccc(C)c(C(=O)C(C)OC(=O)c2cccn2C)c1,0,0.0,
+Cc1ccc(C)c(C(=O)CC2(O)C(=O)N(C)c3ccccc32)c1,0,0.0,
+Cc1ccc(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)c1,0,0.0,
+Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccnc2)c1,0,0.0,
+Cc1ccc(C)c(C(=O)CN2C(=O)CCC2=O)c1,0,0.0,
+Cc1ccc(C)c(C(=O)COC(=O)c2ccc(Br)o2)c1,1,100.0,
+Cc1ccc(C)c(C(=O)CSc2n[nH]c(-c3ccncc3)n2)c1,0,0.0,
+Cc1ccc(C)c(C(=O)CSc2n[nH]c(C(C)C)n2)c1,0,0.0,
+Cc1ccc(C)c(C(=O)CSc2n[nH]c(C)n2)c1,0,0.0,
+Cc1ccc(C)c(C(=O)CSc2nnnn2-c2cccnc2)c1,0,0.0,
+Cc1ccc(C)c(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1,0,0.0,
+Cc1ccc(C)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1,0,0.0,
+Cc1ccc(C)c(C(=O)NCCN(C)C)c1,0,0.0,
+Cc1ccc(C)c(C(=O)NCc2ccncc2)c1,0,0.0,
+Cc1ccc(C)c(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1,0,0.0,
+Cc1ccc(C)c(C(=O)c2c(C)nc3sccn23)c1,0,0.0,
+Cc1ccc(C)c(C(=O)n2cnnc2N)c1,0,0.0,
+Cc1ccc(C)c(C(C)NC(=O)C2C3CCC(O3)C2C(=O)O)c1,0,0.0,
+Cc1ccc(C)c(C2(O)CC(C)N(C)CC2C)c1,0,0.0,
+Cc1ccc(C)c(C2=CSC3=NCCN23)c1,0,0.0,
+Cc1ccc(C)c(CN2C(=O)C(C)Oc3ccc(C)cc32)c1,0,0.0,
+Cc1ccc(C)c(CN2C(=O)C3(OCCCO3)c3ccccc32)c1,0,0.0,
+Cc1ccc(C)c(CN2CCC(n3nnc4cc(F)ccc43)CC2)c1,0,0.0,
+Cc1ccc(C)c(CN2CCCNC2=O)c1,0,0.0,
+Cc1ccc(C)c(CN2CCNC2=O)c1,0,0.0,
+Cc1ccc(C)c(CSc2nnc(-c3ccccn3)n2N)c1,0,0.0,
+Cc1ccc(C)c(CSc2nnc(-c3cccnc3)n2N)c1,0,0.0,
+Cc1ccc(C)c(CSc2nnc(-c3cccnc3)o2)c1,0,0.0,
+Cc1ccc(C)c(CSc2nnc(CCN)o2)c1,0,0.0,
+Cc1ccc(C)c(CSc2nnc([C@@H](N)C(C)C)o2)c1,0,0.0,
+Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)N4CCOCC4)cnn3c2C)c1,0,0.0,
+Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCN4Cc3ccco3)n(C)c2=O)c1,0,0.0,
+Cc1ccc(C)c(Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c3ccccc32)c1,0,0.0,
+Cc1ccc(C)c(Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c3sccc32)c1,0,0.0,
+Cc1ccc(C)c(Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)c1,0,0.0,
+Cc1ccc(C)c(Cn2c(C(C)O)nc3ccccc32)c1,0,0.0,
+Cc1ccc(C)c(Cn2c(CN(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+Cc1ccc(C)c(Cn2c(CO)nc3ccccc32)c1,0,0.0,
+Cc1ccc(C)c(Cn2cnc3c(nnn3-c3ccc(F)cc3)c2=O)c1,0,0.0,
+Cc1ccc(C)c(Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)c1,0,0.0,
+Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c(C(=O)NCc4ccco4)nc32)c1,1,100.0,0.0
+Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c(C4CCCN(C(=O)C5CCC5)C4)nc32)c1,0,0.0,
+Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c(C4CCCN(C(=O)C5CCCCC5)C4)nc32)c1,0,0.0,
+Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c(C4CCCN(C(=O)CC(C)C)C4)nc32)c1,0,0.0,
+Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)c5cccs5)CC4)nc32)c1,0,0.0,
+Cc1ccc(C)c(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccco2)c1,0,0.0,
+Cc1ccc(C)c(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CC2)c2ccc(C)o2)c1,0,0.0,
+Cc1ccc(C)c(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccncc2)c1,0,0.0,
+Cc1ccc(C)c(N(C)C(=O)COc2cc(=O)n(C)c3ccccc23)c1,0,0.0,
+Cc1ccc(C)c(N(C)S(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+Cc1ccc(C)c(N(CC(=O)N(C)C)S(C)(=O)=O)c1,1,100.0,
+Cc1ccc(C)c(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1,0,0.0,
+Cc1ccc(C)c(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2ccccn2)c1,0,0.0,
+Cc1ccc(C)c(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)c1,0,0.0,
+Cc1ccc(C)c(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2ccccn2)c1,0,0.0,
+Cc1ccc(C)c(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1,0,0.0,
+Cc1ccc(C)c(N(CC(N)=O)S(C)(=O)=O)c1,1,100.0,
+Cc1ccc(C)c(N2C(=O)CC(N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)c1,1,100.0,1.0
+Cc1ccc(C)c(N2C(=O)CN=C2Nc2ccccc2Cl)c1,0,0.0,
+Cc1ccc(C)c(N2CC(=O)N(c3cc(C)ccc3C)CC2=O)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4c(C)[nH]c(=O)[nH]c4=O)C3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4nc(C)cc(C)n4)CC3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4nnc(N5CCCC5=O)s4)CC3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)CC3Sc4ccccc4NC3=O)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)CCCOc3cc(=O)n(C)c4ccccc34)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)CCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)CCNC(=O)Cn3ccc4ccccc4c3=O)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)CCS(=O)(=O)c3cccc4nonc34)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)CN(C)S(=O)(=O)c3cnc[nH]3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)COc3cc(=O)n(C)c4ccccc34)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)Cn3cccc3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)c3cc4ccccn4n3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)c3cc4sccc4n3C)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4C)o3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Cn4c(=O)[nH]c5ccccc5c4=O)cc3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4c(C)noc4C)cc3)CC2)c1,1,100.0,
+Cc1ccc(C)c(N2CCN(C(=O)c3ccccc3Br)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(C(c3ccncc3)c3nnnn3Cc3ccccc3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(CCCNC(=O)Cn3cc4c(n3)CCC(C)C4)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(CCCNC(=O)Cn3cc4c(n3)CCCCC4)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(Cc3nnnn3C3CCCCC3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1,1,100.0,0.0
+Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(c3cc(C)nc4nnnn34)CC2)c1,0,0.0,
+Cc1ccc(C)c(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1,0,0.0,
+Cc1ccc(C)c(N=C2NC(=O)CS2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)C(Sc2nncn2C)c2ccccc2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)C2CC(=O)N(C(C)C)C2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)C2CC(Cl)=CCC2C(=O)O)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)OCc2ccccc2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)C2CC=CCC2C(=O)O)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)C2CCCN2C(=O)OC(C)(C)C)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CC(NCCCN2CCOCC2)C(=O)O)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CCN2CC(C)OC(C)C2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CCN2CCOCC2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CCn2nc(C)cc2C)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccccc2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)o2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)o2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2N)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2Cc2ccco2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H](N)Cc3c[nH]c4ccccc34)o2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)o2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2N)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)C[S+]3[O-])c1,0,0.0,
+Cc1ccc(C)c(NC(=O)c2ccccc2O)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)c2ccccn2)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)c2nnn(Cc3ccccc3)c2N)c1,0,0.0,
+Cc1ccc(C)c(NC(=O)c2nnn(Cc3ccccc3C)c2N)c1,0,0.0,
+Cc1ccc(C)c(NC2=CC(=O)CC(C)(C)C2)c1C#N,0,0.0,
+Cc1ccc(C)c(NC2=NC3(CCCCC3)N=C(N)N2)c1,0,0.0,
+Cc1ccc(C)c(NC2=NCCCS2)c1,0,0.0,
+Cc1ccc(C)c(NC2=NS(=O)(=O)c3ccccc32)c1,0,0.0,
+Cc1ccc(C)c(NP(C)(=O)Oc2ccccc2)c1,0,0.0,
+Cc1ccc(C)c(NS(=O)(=O)c2c(C)ccc3nsnc23)c1,0,0.0,
+Cc1ccc(C)c(NS(=O)(=O)c2c(C)nn(C)c2C)c1,0,0.0,
+Cc1ccc(C)c(NS(=O)(=O)c2cc(Br)cnc2N)c1,0,0.0,
+Cc1ccc(C)c(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c1,0,0.0,
+Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c1,0,0.0,
+Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)c1,0,0.0,
+Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)c1,0,0.0,
+Cc1ccc(C)c(Nc2ncnc3nc[nH]c23)c1,0,0.0,
+Cc1ccc(C)c(OCC(=O)Nc2cc(C)on2)c1,0,0.0,
+Cc1ccc(C)c(OCC(=O)Nc2ccc3c(c2)OCO3)c1,0,0.0,
+Cc1ccc(C)c(OCC(=O)Nc2nonc2NC(=O)COc2cc(C)ccc2C)c1,0,0.0,
+Cc1ccc(C)c(OCC(O)CN2C(C)CCCC2C)c1,1,100.0,
+Cc1ccc(C)c(OCC(O)CN2CCC(C)CC2)c1C,0,0.0,
+Cc1ccc(C)c(OCC(O)CN2CCCCC2C)c1,0,0.0,
+Cc1ccc(C)c(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)c1,0,0.0,
+Cc1ccc(C)c(OCCCC(=O)O)c1,0,0.0,
+Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,0,0.0,
+Cc1ccc(C)c(OCCCCCn2ccnc2)c1,0,0.0,
+Cc1ccc(C)c(OCCCN2CCCC2)c1,1,100.0,1.0
+Cc1ccc(C)c(OCCOCCN2CCOCC2)c1,0,0.0,
+Cc1ccc(C)c(OCc2nc(-c3cccnc3)no2)c1,0,0.0,
+Cc1ccc(C)c(OCc2nnc(NC(=O)c3ccco3)s2)c1,0,0.0,
+Cc1ccc(C)c(Oc2nnnn2-c2ccccc2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CC(C)OC(C)C2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCOCC2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)CC2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3ccccc3)CC2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)NC(CCC(N)=O)C(=O)O)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)NCCOC(=O)Nc2sc(=S)n(C)c2C)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)NCc2cccnc2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)Nc2ccc3scnc3c2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(C)on2)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)c1,0,0.0,
+Cc1ccc(C)c(S(=O)(=O)n2cnc3ccccc32)c1,0,0.0,
+Cc1ccc(C)c(SCC(=O)Nc2nnc(-c3ccccc3)o2)c1,0,0.0,
+Cc1ccc(C)c(SCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1,0,0.0,
+Cc1ccc(C)c(SCC(=O)OCC(=O)c2ccco2)c1,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCOCC3)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCc4ccccc4C3)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C(C)(C)C)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C(C)C)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CC(C)(C)C)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CC(C)C)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cc4ccccc4o3)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)o3)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc4c(c3)OCO4)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)NC3CCCCC3)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN(C)C)C(=O)NCc3ccccc3)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3cccc(Cl)c3)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3CC3CCCO3)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc12,0,0.0,
+Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)cc12,0,0.0,
+Cc1ccc(C)c2c1sc(=NC(=O)CN1C(=O)CCC1=O)n2C,0,0.0,
+Cc1ccc(C)c2nc(N3CCCC3)c(C#N)cc12,0,0.0,
+Cc1ccc(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1,0,0.0,
+Cc1ccc(C)n1-c1ccc(-c2nnc3n2CCCCC3)s1,1,100.0,0.0
+Cc1ccc(C)n1-c1ccc(-c2nnco2)cc1,0,0.0,
+Cc1ccc(C)n1-c1ccc(-n2cnnn2)cc1,0,0.0,
+Cc1ccc(C)n1-c1ccc(C(=O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(C)n1-c1ccc(C(=O)NCC2CCCO2)cc1,0,0.0,
+Cc1ccc(C)n1-c1ccc(N2CCOCC2)cc1,0,0.0,
+Cc1ccc(C)n1-c1ccc(N2CCOCC2)nc1,0,0.0,
+Cc1ccc(C)n1-c1ccc2c(c1)COC2=O,0,0.0,
+Cc1ccc(C)n1-c1cccc(C(=O)O)c1,0,0.0,
+Cc1ccc(C)n1-c1cccc(N)c1,0,0.0,
+Cc1ccc(C)n1-c1ccncc1,0,0.0,
+Cc1ccc(C)n1-c1ncn[nH]1,0,0.0,
+Cc1ccc(C)n1-n1c(C)nc2sc(-c3ccccc3)cc2c1=O,0,0.0,
+Cc1ccc(C)n1-n1c(C)nc2sc3c(c2c1=O)CCCCC3,1,100.0,1.0
+Cc1ccc(C)n1-n1c(C)nc2scc(-c3cccs3)c2c1=O,0,0.0,
+Cc1ccc(C)n1-n1cnc2sc(-c3ccccc3)cc2c1=O,0,0.0,
+Cc1ccc(C)n1-n1cnc2sc3c(c2c1=O)CCC3,0,0.0,
+Cc1ccc(C)n1-n1cnc2scc(-c3cccs3)c2c1=O,0,0.0,
+Cc1ccc(C)n1/N=C1/NC(=O)CS1,0,0.0,
+Cc1ccc(C)n1C(Cc1ccccc1)C(=O)O,0,0.0,
+Cc1ccc(C)n1C1CCS(=O)(=O)C1,0,0.0,
+Cc1ccc(C)n1CCN1CCN(C(=O)CSc2nc3ccccc3nc2N2CCOCC2)CC1,0,0.0,
+Cc1ccc(C)n1CCN1CCN(C(=O)c2ccco2)CC1,0,0.0,
+Cc1ccc(C)n1CCN1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1,0,0.0,
+Cc1ccc(C)n1CCN1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,0,0.0,
+Cc1ccc(C)n1Cc1ccc(C(=O)O)cc1,0,0.0,
+Cc1ccc(C)n1NC(=O)c1ccc(Cl)cc1Cl,0,0.0,
+Cc1ccc(C)n1NC(=O)c1ccccc1Cl,0,0.0,
+Cc1ccc(C)n1NC(=O)c1ccco1,0,0.0,
+Cc1ccc(C)n1NC(=O)c1cccs1,0,0.0,
+Cc1ccc(C2(C(F)(F)F)NC(=O)N3CCCN=C3S2)cc1,0,0.0,
+Cc1ccc(C2(C(F)(F)F)NC(=O)N3CCN=C3S2)cc1,0,0.0,
+Cc1ccc(C2(C)NC(=O)N(CC(=O)NC(=O)NC3CCCC3)C2=O)cc1,0,0.0,
+Cc1ccc(C2(C)NC(=O)N(CC(=O)NC(=O)NCCC(C)C)C2=O)cc1,0,0.0,
+Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1,0,0.0,
+Cc1ccc(C2(C)NC(=O)N(Cc3c(C)noc3C)C2=O)cc1,0,0.0,
+Cc1ccc(C2(O)CC(C)N(C)CC2C)cc1,0,0.0,
+Cc1ccc(C2(O)CCN3CCCCC32)cc1,0,0.0,
+Cc1ccc(C2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2Cc2ccco2)o1,0,0.0,
+Cc1ccc(C2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CC2CCCO2)o1,0,0.0,
+Cc1ccc(C2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1,0,0.0,
+Cc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)o1,0,0.0,
+Cc1ccc(C2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)o1,0,0.0,
+Cc1ccc(C2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN(C)C)o1,0,0.0,
+Cc1ccc(C2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN2CCOCC2)o1,0,0.0,
+Cc1ccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)o1,0,0.0,
+Cc1ccc(C2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)o1,0,0.0,
+Cc1ccc(C23CC4CC(CC(NC(=O)N5CCN(C)CC5)(C4)C2)C3)cc1,0,0.0,
+Cc1ccc(C2=CC(c3ccc(N(C)C)cc3)n3nnnc3N2)cc1,0,0.0,
+Cc1ccc(C2=CSC3=NCCN23)c(C)c1,0,0.0,
+Cc1ccc(C2=N/C(=C/N3CCOCC3)C(=O)O2)cc1,0,0.0,
+Cc1ccc(C2=NCCNC2=O)c(C)c1,0,0.0,
+Cc1ccc(C2=Nc3ccccc3NC(C)(c3ccc(C)o3)C2)o1,0,0.0,
+Cc1ccc(C2=[N+]([O-])C3(CCCCC/C3=N\O)N(O)C2(C)C)o1,0,0.0,
+Cc1ccc(C2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CC2)cc1,0,0.0,
+Cc1ccc(C2C(=O)N(C3CCCC3)CC(=O)N2CC2COc3ccccc3O2)cc1,0,0.0,
+Cc1ccc(C2C(C#N)=C(N)N3C(=O)CSC3=C2C(=O)Nc2ccccc2)cc1,0,0.0,
+Cc1ccc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)o1,0,0.0,
+Cc1ccc(C2C(C#N)=C(N)Oc3c2sc2ccccc32)o1,0,0.0,
+Cc1ccc(C2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1,0,0.0,
+Cc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)s1,0,0.0,
+Cc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1,0,0.0,
+Cc1ccc(C2C(C#N)=C(N)Oc3nc(-c4ccccc4)[nH]c32)o1,0,0.0,
+Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c(C)c1,0,0.0,
+Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1,0,0.0,
+Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)o1,0,0.0,
+Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1,0,0.0,
+Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)o1,0,0.0,
+Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN2CCOCC2)o1,1,100.0,0.0
+Cc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)o1,0,0.0,
+Cc1ccc(C2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCN(C)C)o1,0,0.0,
+Cc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)o1,0,0.0,
+Cc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)o1,0,0.0,
+Cc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)o1,0,0.0,
+Cc1ccc(C2C(S(C)(=O)=O)=C(O)C(=O)N2c2ccccc2)cc1.Nc1ccccc1,0,0.0,
+Cc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)o1,0,0.0,
+Cc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)cc1,0,0.0,
+Cc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3n[nH]c(C)c32)cc1,0,0.0,
+Cc1ccc(C2C3=C(CCCC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)cc1,0,0.0,
+Cc1ccc(C2C3=C(CCCC3=O)Nc3nc(SCC(=O)NCc4ccco4)[nH]c(=O)c32)cc1,0,0.0,
+Cc1ccc(C2C3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1,1,100.0,
+Cc1ccc(C2C3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1,0,0.0,
+Cc1ccc(C2C=C(c3ccc4c(c3)OCO4)Nc3ncnn32)cc1,0,0.0,
+Cc1ccc(C2C=C(c3ccccc3OC(F)F)Nc3ncnn32)cc1,0,0.0,
+Cc1ccc(C2CC(=O)C(C=NCCN3CCN(C(=O)Cc4ccccc4)CC3)=C(O)C2)cc1,0,0.0,
+Cc1ccc(C2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1,0,0.0,
+Cc1ccc(C2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)o1,0,0.0,
+Cc1ccc(C2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)o1,0,0.0,
+Cc1ccc(C2CC(=O)NC(SCCC(C)C)=C2C#N)cc1,0,0.0,
+Cc1ccc(C2CC(=O)NC(SCc3ccccc3)=C2C#N)o1,0,0.0,
+Cc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1Br,0,0.0,
+Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)s1,0,0.0,
+Cc1ccc(C2CC(=O)Nc3sc(C(N)=O)c(N)c32)cc1,0,0.0,
+Cc1ccc(C2CC(=O)c3cnc(N4CC(C)CC(C)C4)nc3C2)cc1,0,0.0,
+Cc1ccc(C2CC(=O)c3cnc(N4CCN(c5ccccc5)CC4)nc3C2)cc1,1,100.0,0.0
+Cc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccco4)nc3C2)cc1,0,0.0,
+Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCC4CCCO4)cc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)cc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCc4c(C)nn(C)c4C)c(Cl)c3N2)cc1,0,0.0,
+Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCc4ccco4)cc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3N2)cc1,0,0.0,
+Cc1ccc(C2CC(C(F)(F)F)n3ncc(C(N)=O)c3N2)cc1,0,0.0,
+Cc1ccc(C2CC(C(F)F)n3ncc(C(=O)Nc4cnn(Cc5ccccc5C)c4)c3N2)cc1,0,0.0,
+Cc1ccc(C2CC(c3ccc(C)cc3)n3nc(N)nc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1,0,0.0,
+Cc1ccc(C2CC(c3cccc(Br)c3)Nc3nnnn32)cc1,0,0.0,
+Cc1ccc(C2CC(c3cccc(Br)c3)n3nc(N)nc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(c3cccc(C)c3)n3ncnc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(c3cccc(Cl)c3)n3nc(N)nc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(c3ccccc3)n3ncnc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(c3ccccc3C)n3nc(N)nc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(c3ccccc3Cl)n3nc(N)nc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(c3ccccc3OC(F)F)Nc3ncnn32)cc1,1,100.0,
+Cc1ccc(C2CC(c3ccco3)n3nc(N)nc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(c3ccco3)n3ncnc3N2)cc1,0,0.0,
+Cc1ccc(C2CC(c3cccs3)n3nc(N)nc3N2)cc1,0,0.0,
+Cc1ccc(C2CCN(C(=O)Nc3ccccc3)C2)cc1,0,0.0,
+Cc1ccc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1,0,0.0,
+Cc1ccc(C2N(c3ccc(Cl)c(Cl)c3)C(=O)C3CCCN32)o1,0,0.0,
+Cc1ccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc1,0,0.0,
+Cc1ccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)o1,0,0.0,
+Cc1ccc(C2N(c3nccs3)C(=O)C3CCCN32)cc1,0,0.0,
+Cc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccccc2)o1,0,0.0,
+Cc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2cccs2)o1,0,0.0,
+Cc1ccc(C2NC(=O)NC3=C2CCc2ccccc23)cc1,0,0.0,
+Cc1ccc(C2NC(=O)c3c(sc4c3CCN(C)C4)N2)o1,0,0.0,
+Cc1ccc(C2NC(=O)c3c(sc4c3CCN(C)C4)N2)s1,0,0.0,
+Cc1ccc(C2NC(=O)c3ccccc3N2)s1,0,0.0,
+Cc1ccc(C2Nc3ccccc3-c3nc4ccccc4n32)o1,0,0.0,
+Cc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,0,0.0,
+Cc1ccc(C2SCC(=O)N2Cc2cn3ccsc3n2)o1,0,0.0,
+Cc1ccc(C2SCC(=O)Nc3c2c(=O)[nH]n3C2CCOC(C)(C)C2)cc1,0,0.0,
+Cc1ccc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1,0,0.0,
+Cc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,0,0.0,
+Cc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,0,0.0,
+Cc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)o1,0,0.0,
+Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)o1,0,0.0,
+Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)o1,0,0.0,
+Cc1ccc(C2c3sc(=O)[nH]c3SC3C(=O)NC(=O)C32)cc1,0,0.0,
+Cc1ccc(C=NCc2ccncc2)c(O)c1,0,0.0,
+Cc1ccc(C=Nc2ccc(N(C)C)cc2)o1,0,0.0,
+Cc1ccc(CC(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[nH]3)CC2)cc1,0,0.0,
+Cc1ccc(CC(=O)NCC(C)C)cc1,0,0.0,
+Cc1ccc(CC(=O)Nc2cccc(C)n2)cc1,0,0.0,
+Cc1ccc(CC(=O)Nc2nncs2)cc1,0,0.0,
+Cc1ccc(CC(=O)OCCNC(=O)c2cccnc2)cc1,0,0.0,
+Cc1ccc(CC(C(=O)Nc2ccc(F)cc2)/C(N)=N/O)cc1,0,0.0,
+Cc1ccc(CC(CC(=O)O)C(=O)NC2CCCCC2)cc1,0,0.0,
+Cc1ccc(CC(NC(=O)c2ccccc2)C(=O)N2CCCC2C(=O)O)cc1,0,0.0,
+Cc1ccc(CC2(O)CC(C)N(C)CC2C)c(C)c1,0,0.0,
+Cc1ccc(CC23CN4CCN(CC(C4)C2O)C3)c(C)c1,0,0.0,
+Cc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)s1,0,0.0,
+Cc1ccc(CC2C(=O)N(c3ncccn3)C(=O)C2C)cc1,1,100.0,0.0
+Cc1ccc(CC2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)cc1,0,0.0,
+Cc1ccc(CC2CC(=O)N(Cc3ccco3)C2=O)cc1,0,0.0,
+Cc1ccc(CC2CC(=O)N(c3cc(C)on3)C2=O)cc1,0,0.0,
+Cc1ccc(CC2CC(=O)N(c3ccc(Cl)cn3)C2=O)cc1,0,0.0,
+Cc1ccc(CC2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1,0,0.0,
+Cc1ccc(CC2CC(=O)N(c3ccncc3)C2=O)cc1,0,0.0,
+Cc1ccc(CC2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1,0,0.0,
+Cc1ccc(CC2SC(=O)NC2=O)cc1Cl,0,0.0,
+Cc1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)o1,0,0.0,
+Cc1ccc(CCC(=O)Nc2nccs2)o1,0,0.0,
+Cc1ccc(CCN2C(=O)CCC2(C)C(=O)NC2CCCC2)cc1,0,0.0,
+Cc1ccc(CCN2CC(C(=O)N3CCC4(CC3)OCCO4)CC2=O)cc1,0,0.0,
+Cc1ccc(CCN2CC(C(=O)NC3CCCC3)CC2=O)cc1,0,0.0,
+Cc1ccc(CCN2CC(C(=O)NCCCN(C)Cc3ccccc3)CC2=O)cc1,0,0.0,
+Cc1ccc(CCN2CC(C(=O)NCCCN3CCCCCC3)CC2=O)cc1,0,0.0,
+Cc1ccc(CCN2CC(C(=O)NCCCN3CCN(C)CC3)CC2=O)cc1,0,0.0,
+Cc1ccc(CCN2CC(C(=O)NCCCN3CCOCC3)CC2=O)cc1,0,0.0,
+Cc1ccc(CCN2CC(C(=O)NCCN3CCCCCC3)CC2=O)cc1,0,0.0,
+Cc1ccc(CCN2CC(C(=O)NCCN3CCOCC3)CC2=O)cc1,0,0.0,
+Cc1ccc(CCN2CC(C(=O)NCc3cccnc3)CC2=O)cc1,0,0.0,
+Cc1ccc(CCN2CC(C(=O)NCc3ccco3)CC2=O)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCC(=O)N2C(C)C)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCC(=O)N2C2CCCC2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCC(=O)N2Cc2cccnc2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCCN(C(=O)c3cc4sccc4n3C)C2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCCN(c3nc4ccccc4o3)C2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCN(C(=O)c3sccc3-n3cccc3)CC2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1,0,0.0,
+Cc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,0,0.0,
+Cc1ccc(CCNC(=O)CN2C(=O)COc3ccccc32)cc1,0,0.0,
+Cc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3F)C2=O)cc1,0,0.0,
+Cc1ccc(CCNC(=O)C[S+]([O-])Cc2nc(-c3cccc(C)c3)oc2C)cc1,0,0.0,
+Cc1ccc(CCNC(=O)Cn2cccc2)cc1,0,0.0,
+Cc1ccc(CCNC(=O)NC(C)(C)C)cc1,0,0.0,
+Cc1ccc(CCNC(=O)c2coc3nc4ccccc4nc23)cc1,0,0.0,
+Cc1ccc(CCNC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)cc1,0,0.0,
+Cc1ccc(CCNC(=O)c2nnn(-c3cccc(C)c3)c2N)cc1,0,0.0,
+Cc1ccc(CCNS(=O)(=O)c2cnc[nH]2)cc1,0,0.0,
+Cc1ccc(CCNc2ccccc2)c[n+]1[O-],0,0.0,
+Cc1ccc(CCP(=O)(O)CN2CCCCC2)cn1,0,0.0,
+Cc1ccc(CCP(=O)(O)CN2CCOCC2)cn1,0,0.0,
+Cc1ccc(CCSCC(=O)O)cn1,0,0.0,
+Cc1ccc(CCn2c3c(c4ccccc42)CN(C)CC3)cn1,0,0.0,
+Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2cccs2)cc1,0,0.0,
+Cc1ccc(CN(C(=O)c2c(F)cccc2F)C2CC(C)(C)NC(C)(C)C2)o1,0,0.0,
+Cc1ccc(CN(C)C(=O)C2CCCN2C(=O)c2cccs2)o1,0,0.0,
+Cc1ccc(CN(C)C(=O)c2ccccc2Oc2ccccc2)o1,0,0.0,
+Cc1ccc(CN(C)CCc2ccccn2)cc1,0,0.0,
+Cc1ccc(CN(CC(=O)NCCc2ccccc2)C(=O)CCCC(=O)Nc2cc(C)on2)cc1,0,0.0,
+Cc1ccc(CN(CC2CCCO2)C(=O)CN2C(=O)C(C(C)C)Oc3ccccc32)o1,0,0.0,
+Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N(C)C)cc1,0,0.0,
+Cc1ccc(CN(Cc2cccnc2)C(=O)CN2C(=O)COc3ccccc32)o1,0,0.0,
+Cc1ccc(CN(c2ccc(C(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1,0,0.0,
+Cc1ccc(CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1,0,0.0,
+Cc1ccc(CN2C(=O)/C(=C3\SC(N4CCOCC4)=NC3=O)c3cc(Br)ccc32)cc1,0,0.0,
+Cc1ccc(CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NC(C)C)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NC2CC2)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NC2CCCC2)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NCC2CCCO2)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCC(C)CC2)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCCC(C)C2)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCCCC2C)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCOCC2)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NCCN(CC(C)C)CC(C)C)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NCCN2CCOCC2)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NCc2ccc(F)cc2)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CCC2C(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(CN2C(=O)CSc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1,0,0.0,
+Cc1ccc(CN2C(=O)NC(=O)C3(Cc4c(nc5ccccn5c4=O)N4CCCCCC43)C2=O)cc1,0,0.0,
+Cc1ccc(CN2C3=NC(=O)CN3c3ccccc32)cc1,0,0.0,
+Cc1ccc(CN2C3=NCCCN3c3ccccc32)cc1,1,100.0,0.0
+Cc1ccc(CN2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)CC2=O)cc1,0,0.0,
+Cc1ccc(CN2CC(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2=O)cc1,0,0.0,
+Cc1ccc(CN2CC34C=CC(O3)C(C(=O)NCc3ccco3)C4C2=O)cc1,0,0.0,
+Cc1ccc(CN2CC3CC(C2)c2cccc(=O)n2C3)cc1,0,0.0,
+Cc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)o1,0,0.0,
+Cc1ccc(CN2CCN(C(=O)C3CCC3)CC2)cc1,0,0.0,
+Cc1ccc(CN2CCN(C(=O)C3CCCO3)CC2)cc1,0,0.0,
+Cc1ccc(CN2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1,0,0.0,
+Cc1ccc(CN2CCN(C)CC2)c(C)c1,0,0.0,
+Cc1ccc(CN2CCN(CC(=O)N3CCC(C(N)=O)CC3)C2=O)cc1,0,0.0,
+Cc1ccc(CN2CCN(CC(=O)N3CCC4(CC3)OCCO4)C2=O)cc1,0,0.0,
+Cc1ccc(CN2CCN(CC(=O)N3CCc4ccccc4C3)C2=O)cc1,0,0.0,
+Cc1ccc(CN2CCNC(=O)C2CC(=O)O)cc1,0,0.0,
+Cc1ccc(CN2CCNC(=O)C2CC(=O)O)o1,0,0.0,
+Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1,0,0.0,
+Cc1ccc(CNC(=O)C(C)OC(=O)c2ccco2)cc1,0,0.0,
+Cc1ccc(CNC(=O)C(OC(=O)c2ccco2)C(C)C)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2C3C=CC(C3)C2C(=O)O)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2C3C=CC4(CN(Cc5cccnc5)C(=O)C24)O3)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2CC(=O)N(C3CCCCCCC3)C2)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2CC(=O)OC23CCCC3)c(C)c1,0,0.0,
+Cc1ccc(CNC(=O)C2CCC(=O)N2C2CCCCC2)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2CCCCC2C(=O)O)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)o1,0,0.0,
+Cc1ccc(CNC(=O)C2CNc3cc(C)ccc3O2)cc1,0,0.0,
+Cc1ccc(CNC(=O)C2c3ccccc3C(=O)N(C)C2c2c[nH]c3ccccc23)o1,0,0.0,
+Cc1ccc(CNC(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)o1,0,0.0,
+Cc1ccc(CNC(=O)CCCNC(=O)c2ccc(Cl)cc2)n1C,0,0.0,
+Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2cccc3nonc23)cc1,0,0.0,
+Cc1ccc(CNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)o1,0,0.0,
+Cc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1,0,0.0,
+Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)NC3CCCC3)c2=O)cc1,0,0.0,
+Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)cc1,0,0.0,
+Cc1ccc(CNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)o1,0,0.0,
+Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(CNC(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)o1,0,0.0,
+Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)s2)o1,0,0.0,
+Cc1ccc(CNC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1,0,0.0,
+Cc1ccc(CNC(=O)CCS(=O)(=O)c2cccc3nsnc23)cc1,0,0.0,
+Cc1ccc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cc1,0,0.0,
+Cc1ccc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1,0,0.0,
+Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1,0,0.0,
+Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1,0,0.0,
+Cc1ccc(CNC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)cc1,0,0.0,
+Cc1ccc(CNC(=O)CN2C(=O)COc3ccc(C)cc32)cc1,0,0.0,
+Cc1ccc(CNC(=O)CN2CCC(C(N)=O)CC2)cc1,0,0.0,
+Cc1ccc(CNC(=O)CN2CCN(Cc3ccc(C)cc3)C2=O)cc1,0,0.0,
+Cc1ccc(CNC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)cc1,0,0.0,
+Cc1ccc(CNC(=O)CNS(=O)(=O)c2cccc3nsnc23)cc1,0,0.0,
+Cc1ccc(CNC(=O)COC(=O)c2c(C)noc2C)cc1,0,0.0,
+Cc1ccc(CNC(=O)C[S+]([O-])Cc2nc(-c3ccccc3C)oc2C)cc1,0,0.0,
+Cc1ccc(CNC(=O)C[S+]([O-])Cc2nc(-c3cccs3)oc2C)cc1,0,0.0,
+Cc1ccc(CNC(=O)CSc2n[nH]c(N)n2)cc1,0,0.0,
+Cc1ccc(CNC(=O)CSc2nc(C)cc(C)c2C#N)cc1,0,0.0,
+Cc1ccc(CNC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1,0,0.0,
+Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCCO)cc1,0,0.0,
+Cc1ccc(CNC(=O)CSc2ncccn2)cc1,0,0.0,
+Cc1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)o1,0,0.0,
+Cc1ccc(CNC(=O)Nc2ccccc2)cc1,0,0.0,
+Cc1ccc(CNC(=O)Nc2cccs2)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)o1,0,0.0,
+Cc1ccc(CNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)o1,0,0.0,
+Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CC3CCCO3)c2=N)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2ccc(Br)o2)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2cccc(-n3cnnn3)c2)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2nnnn2C)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2ccccc2NS(C)(=O)=O)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)o1,0,0.0,
+Cc1ccc(CNC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)o1,0,0.0,
+Cc1ccc(CNC(=O)c2coc(=O)c3ccccc23)o1,0,0.0,
+Cc1ccc(CNC(=O)c2nnn(-c3cccc(C)c3)c2N)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2oc3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3c2C)cc1,0,0.0,
+Cc1ccc(CNC(=O)c2sccc2-n2cccc2)cc1,0,0.0,
+Cc1ccc(CNC2=NCCCCC2)n1C,0,0.0,
+Cc1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C,0,0.0,
+Cc1ccc(CNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)cc1,0,0.0,
+Cc1ccc(CNc2cc(-c3nn4c(C)nnc4s3)ccc2C)s1,0,0.0,
+Cc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)s1,0,0.0,
+Cc1ccc(CNc2ccc(N3CCOCC3)cc2)s1,0,0.0,
+Cc1ccc(CNc2ccc(O)cc2)cc1,0,0.0,
+Cc1ccc(CNc2ccc3c(c2)OCO3)c(C)c1,0,0.0,
+Cc1ccc(CNc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(CNc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(CNc2nc3ccccc3n3nnnc23)cc1,0,0.0,
+Cc1ccc(CNc2nc3ccccc3s2)s1,0,0.0,
+Cc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc1,1,100.0,1.0
+Cc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1,0,0.0,
+Cc1ccc(CNc2oc(-c3ccco3)nc2C#N)cc1,0,0.0,
+Cc1ccc(CNc2oc(-c3cccs3)nc2C#N)cc1,0,0.0,
+Cc1ccc(CNc2oc(COc3ccccc3Cl)nc2C#N)cc1,0,0.0,
+Cc1ccc(CNn2cnnc2SCC(=O)NC(C)(C)C)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)CCC(=O)N2CCC3(CC2)OCCO3)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)CCC(=O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)CCC(=O)NCC2CCCO2)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)CCC(=O)NCCCN2CCCC2)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)CCC(=O)NCCCN2CCCC2=O)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)CCC(=O)NCCCOC(C)C)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)CCC(=O)NCCN2CCCC2)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)CCC(=O)NCCN2CCCCC2C)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)CCC(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)CCC(=O)NCc2ccccn2)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)CCC(=O)NCc2cccs2)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)N3CCC4(CC3)OCCO4)o2)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCC3CCCO3)o2)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCCCN3CCOCC3)o2)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3ccccn3)o2)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)cc1,0,0.0,
+Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)cc1,0,0.0,
+Cc1ccc(CSC2=NCCN2C(=O)C2CC2)cc1,0,0.0,
+Cc1ccc(CSC2=NCCN2C(=O)c2ccco2)cc1,0,0.0,
+Cc1ccc(CSC2=Nc3ccccc3C3=NC(CCC(=O)NCc4ccco4)C(=O)N23)cc1,0,0.0,
+Cc1ccc(CSCCNS(C)(=O)=O)cc1,0,0.0,
+Cc1ccc(CSc2nc3c(c(=O)[nH]2)C(c2ccncc2)C2=C(CCCC2=O)N3)cc1,0,0.0,
+Cc1ccc(CSc2nc3c(c(=O)[nH]2)CCC3)cc1,0,0.0,
+Cc1ccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)cc1,0,0.0,
+Cc1ccc(CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1,0,0.0,
+Cc1ccc(CSc2nnc(-c3ccccn3)n2C)cc1,0,0.0,
+Cc1ccc(CSc2nnc(-c3ccco3)n2N)cc1,0,0.0,
+Cc1ccc(CSc2nnc(-c3cccs3)n2C)cc1,0,0.0,
+Cc1ccc(CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,0,0.0,
+Cc1ccc(CSc2nnnn2C)cc1,0,0.0,
+Cc1ccc(Cc2c(C)nc3c(C(=O)O)cnn3c2C)cc1,0,0.0,
+Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCc4ccco4)nn3c2C)cc1,0,0.0,
+Cc1ccc(Cc2cnc(N)s2)o1,0,0.0,
+Cc1ccc(Cc2cncc(O)c2)cc1S(=O)(=O)O,0,0.0,
+Cc1ccc(Cc2nc(-c3cccc(C)c3)no2)cc1,0,0.0,
+Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,0,0.0,
+Cc1ccc(Cl)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1,0,0.0,
+Cc1ccc(Cl)c(OCC(=O)Nc2nncs2)c1,0,0.0,
+Cc1ccc(Cl)c(OCC(O)CN(CCO)CCO)c1,0,0.0,
+Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccccc1O,0,0.0,
+Cc1ccc(Cl)cc1-n1c(=O)cc(N2CC(C)OC(C)C2)[nH]c1=O,0,0.0,
+Cc1ccc(Cl)cc1-n1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O,0,0.0,
+Cc1ccc(Cl)cc1-n1c(O)c(C=NCCCN2CCOCC2)c(=O)[nH]c1=O,0,0.0,
+Cc1ccc(Cl)cc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O,1,100.0,0.0
+Cc1ccc(Cl)cc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCC(=O)N2C(C)C)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)CC1,1,100.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)CCC(=O)O)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3nonc23)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)Cn2ccc3ccccc3c2=O)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(CC(C)C)c2nnnn2CC2CCCO2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(C(c2ccc(C#N)cc2)c2nnnn2C2CCCC2)CC1,1,100.0,0.0
+Cc1ccc(Cl)cc1N1CCN(C(c2cccnc2)c2nnnn2C2CCCCC2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(CCN)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(Cc2nnnn2C2CCCCC2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(Cc2nnnn2Cc2ccco2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1,0,0.0,
+Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1,0,0.0,
+Cc1ccc(Cl)cc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1,0,0.0,
+Cc1ccc(Cl)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F,1,100.0,
+Cc1ccc(Cl)cc1NC(=O)CCn1cccc1,0,0.0,
+Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CCCC1,0,0.0,
+Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1-c1ccccc1,0,0.0,
+Cc1ccc(Cl)cc1NC(=O)Cn1cc2c(n1)CCCC2,0,0.0,
+Cc1ccc(Cl)cc1NC(=O)Cn1cccc1,0,0.0,
+Cc1ccc(Cl)cc1NC(=O)c1ocnc1C,0,0.0,
+Cc1ccc(Cl)cc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,0,0.0,
+Cc1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1,0,0.0,
+Cc1ccc(Cn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4ccccc4nc32)cc1,0,0.0,
+Cc1ccc(Cn2c(=N)n(CC(O)c3ccco3)c3ccccc32)cc1,0,0.0,
+Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4Cc3ccccc3)n(C)c2=O)cc1,0,0.0,
+Cc1ccc(Cn2c(=O)c3c(nc4n3CCN4Cc3ccco3)n(C)c2=O)cc1,0,0.0,
+Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)O)nnc23)cc1,0,0.0,
+Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)N4CCCCC4C)nnc23)cc1,0,0.0,
+Cc1ccc(Cn2c(=O)cc(C(=O)O)c3ccccc32)cc1,0,0.0,
+Cc1ccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1,0,0.0,
+Cc1ccc(Cn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)o1,0,0.0,
+Cc1ccc(Cn2c(C(=O)NCCCN3CCOCC3)cc3sccc32)cc1,1,100.0,1.0
+Cc1ccc(Cn2c(C)c3cnn(CC(=O)N4CCC5(CC4)OCCO5)c(=O)c3c2C)cc1,0,0.0,
+Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)cc1,0,0.0,
+Cc1ccc(Cn2c(CN(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(CN3CC(C)OC(C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1,1,100.0,0.0
+Cc1ccc(Cn2c(CN3CC(C)OC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(CN3CCN(C(=O)c4ccco4)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(CN3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(CN3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc32)cc1,0,0.0,
+Cc1ccc(Cn2c(NCCCn3ccnc3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(NCCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)cc1,0,0.0,
+Cc1ccc(Cn2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)cc1,0,0.0,
+Cc1ccc(Cn2c(SCC(=O)Nc3cccc(C)n3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(SCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(SCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(SCC(N)=O)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1,1,100.0,1.0
+Cc1ccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,1,100.0,1.0
+Cc1ccc(Cn2c(SCCN3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(SCc3cccnc3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(Sc3nccc(C)n3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(Sc3ncccn3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c(Sc3nnc(C)s3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+Cc1ccc(Cn2c3ccccc3c3cn[nH]c(=O)c32)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)C3C4CCC(C4)C3C(=O)O)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)CCSc3nc(-c4ccco4)cc(C(F)(F)F)n3)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(Br)cc4)on3)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)on3)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccccc4)on3)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccco4)on3)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4cccs4)on3)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3cc(C(C)C)on3)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3cc(CC(C)C)on3)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3nc4ncccn4n3)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3noc4c3CC(C(C)(C)C)CC4)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3noc4c3CCCC4)n2)cc1,0,0.0,
+Cc1ccc(Cn2ccc(NC(=O)c3noc4c3CCCCC4)n2)cc1,0,0.0,
+Cc1ccc(Cn2cccc(NC(=O)c3ccco3)c2=O)cc1,0,0.0,
+Cc1ccc(Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)cc1,0,0.0,
+Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(-c4ccc5c(c4)OCO5)on3)c2C)cc1,0,0.0,
+Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(-c4ccco4)on3)c2C)cc1,0,0.0,
+Cc1ccc(Cn2nc(C)c(NC(=O)c3noc4c3CCCCC4)c2C)cc1,0,0.0,
+Cc1ccc(Cn2ncc3c(N4CCCC4)ncnc32)cc1,0,0.0,
+Cc1ccc(Cn2ncc3c(N4CCN(Cc5ccc(Cl)cc5)CC4)ncnc32)cc1,0,0.0,
+Cc1ccc(Cn2ncc3c(N4CCN(c5ccc(C)cc5)CC4)ncnc32)cc1,0,0.0,
+Cc1ccc(Cn2ncc3c(N4CCN(c5ccccc5C)CC4)ncnc32)cc1,0,0.0,
+Cc1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1,0,0.0,
+Cc1ccc(Cn2ncc3c(NCCCN4CCOCC4)ncnc32)cc1,0,0.0,
+Cc1ccc(Cn2ncn3c(cc4ccccc43)c2=O)cc1,0,0.0,
+Cc1ccc(Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2N)cc1,1,100.0,
+Cc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3C)c2N)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)[nH]c(C(=O)NCc4ccco4)nc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCCN(C(=O)Nc5ccc(F)cc5)C4)nc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)Cc5cccs5)CC4)nc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)c5cccs5)CC4)nc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)c5cc(C)ccc5C)CC4)nc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)nc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)nc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)c5ccccc5)CC4)nc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)n(CC(=O)N4CCCCC4)cnc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)cnc32)cc1,1,100.0,0.0
+Cc1ccc(Cn2nnc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)cnc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)n(CC(=O)c4ccccc4)cnc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)n(Cc4cc(C)ccc4C)cnc32)cc1,0,0.0,
+Cc1ccc(Cn2nnc3c(=O)n(Cc4cccc(C)c4)cnc32)cc1,1,100.0,1.0
+Cc1ccc(Cn2nnc3c(=O)n(Cc4ccccc4C)cnc32)cc1,0,0.0,
+Cc1ccc(Cn2nnnc2CN2CCC(O)(c3ccc(F)cc3)CC2)cc1,0,0.0,
+Cc1ccc(Cn2nnnc2CN2CCC(O)(c3ccccc3F)CC2)cc1,0,0.0,
+Cc1ccc(Cn2nnnc2CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1,0,0.0,
+Cc1ccc(Cn2nnnc2CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1,0,0.0,
+Cc1ccc(Cn2nnnc2CN2CCC(n3nnc4ccccc43)CC2)cc1,0,0.0,
+Cc1ccc(F)c(NC(=O)C2CCCCC2C(=O)O)c1,0,0.0,
+Cc1ccc(F)cc1NC(=O)C1CCCN(c2ncccn2)C1,0,0.0,
+Cc1ccc(F)cc1NC(=O)C1CCN(c2cnccn2)CC1,0,0.0,
+Cc1ccc(F)cc1NC(=O)Cc1nn(C)c(=O)c2ccccc12,0,0.0,
+Cc1ccc(F)cc1NC(=O)c1c(-c2ccccc2)noc1C,0,0.0,
+Cc1ccc(F)cc1NC(=O)c1ccc2c(c1)OCO2,0,0.0,
+Cc1ccc(F)cc1NC(=O)c1cccc(N(C)C)c1,0,0.0,
+Cc1ccc(F)cc1NC(=O)c1cccc2nccnc12,0,0.0,
+Cc1ccc(N(C(=O)C2CCC(=O)N2)C2(C(=O)NC3CCCCC3)CCCCC2)cc1,0,0.0,
+Cc1ccc(N(C(=O)C2CCCC2)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+Cc1ccc(N(C(=O)C2CCCC2)C2C=CS(=O)(=O)C2)cc1C,0,0.0,
+Cc1ccc(N(C(=O)C2CCCO2)C2C=CS(=O)(=O)C2)cc1Cl,0,0.0,
+Cc1ccc(N(C(=O)CC2NC(=O)NC2=O)C2(C(=O)NC3CCCC3)CCCCC2)cc1,0,0.0,
+Cc1ccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccncc2)cc1,0,0.0,
+Cc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)cc1C,0,0.0,
+Cc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NCC2CCCO2)c2ccccc2)cc1,0,0.0,
+Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC2CCCC2)c2ccco2)cc1,0,0.0,
+Cc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1,0,0.0,
+Cc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1,0,0.0,
+Cc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2cccnc2)cc1,0,0.0,
+Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)cc1,0,0.0,
+Cc1ccc(N(C(=O)c2ccc(Br)o2)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+Cc1ccc(N(C(=O)c2ccc3c(c2)OCO3)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+Cc1ccc(N(C(=O)c2cccs2)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+Cc1ccc(N(C(=O)c2ccncc2)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+Cc1ccc(N(C(C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1C,0,0.0,
+Cc1ccc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1C,0,0.0,
+Cc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1,0,0.0,
+Cc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C,0,0.0,
+Cc1ccc(N(C(C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1,0,0.0,
+Cc1ccc(N(C(C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1C,0,0.0,
+Cc1ccc(N(C(C)C(=O)O)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1,0,0.0,
+Cc1ccc(N(C(C)C(=O)O)S(=O)(=O)c2c(C)n[nH]c2C)cc1,0,0.0,
+Cc1ccc(N(C(C)C(=O)O)S(=O)(=O)c2cccnc2)cc1,0,0.0,
+Cc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,0,0.0,
+Cc1ccc(N(C)C(=O)N2CCN(c3ccccn3)CC2)cc1,0,0.0,
+Cc1ccc(N(C)C(=O)Oc2cccc3cccnc23)cc1,0,0.0,
+Cc1ccc(N(C=NC#N)CC(=O)N2CCN(c3ccccc3)CC2)cc1,1,100.0,0.0
+Cc1ccc(N(CC(=O)N2CC(=O)Nc3ccccc32)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1,0,0.0,
+Cc1ccc(N(CC(=O)N2CCN(C3CCCCC3)CC2)S(=O)(=O)c2cccnc2)cc1,0,0.0,
+Cc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+Cc1ccc(N(CC(=O)N2CCc3ccccc32)C2=NC(=O)CS2)cc1,0,0.0,
+Cc1ccc(N(CC(=O)N2CCn3c2nc2ccccc23)S(=O)(=O)c2c(C)n[nH]c2C)cc1,0,0.0,
+Cc1ccc(N(CC(=O)NC2CC3CCC2C3)S(C)(=O)=O)cc1C,0,0.0,
+Cc1ccc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2cccnc2)cc1,0,0.0,
+Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)cc1C,0,0.0,
+Cc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+Cc1ccc(N(CC(=O)NCC2CCCO2)S(C)(=O)=O)cc1Cl,0,0.0,
+Cc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+Cc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1,0,0.0,
+Cc1ccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)cc1C,0,0.0,
+Cc1ccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1C,0,0.0,
+Cc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2cccs2)cc1,0,0.0,
+Cc1ccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)cc1Cl,0,0.0,
+Cc1ccc(N(CC(=O)Nc2ccc(C)cn2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,0,0.0,
+Cc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1,0,0.0,
+Cc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)N2CCCC2)cc1,0,0.0,
+Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C,0,0.0,
+Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)n[nH]c2C)cc1,0,0.0,
+Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)noc2C)cc1,1,100.0,0.0
+Cc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2cccc3nonc23)cc1,0,0.0,
+Cc1ccc(N(CC(=O)O)C2SC(=O)NC2=O)cc1,0,0.0,
+Cc1ccc(N(CC(=O)O)S(=O)(=O)c2cccc3nonc23)cc1,0,0.0,
+Cc1ccc(N(CC(=O)O)S(C)(=O)=O)cc1Cl,0,0.0,
+Cc1ccc(N(CC(N)=O)C2SC(=O)N(C)C2=O)cc1,0,0.0,
+Cc1ccc(N(CC(N)=O)C2SC(=O)N(Cc3ccccc3)C2=O)cc1,0,0.0,
+Cc1ccc(N(CC(N)=O)C2SC(=O)NC2=O)cc1,0,0.0,
+Cc1ccc(N(CC(O)CN(C)C)S(=O)(=O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(N(CC(O)CN2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(N(CC(O)CN2CCCC2)S(=O)(=O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(N(CC(O)CN2CCOCC2)S(=O)(=O)c2ccc3ccccc3c2)cc1,0,0.0,
+Cc1ccc(N(CC(O)COCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,0,33.33333333,0.0
+Cc1ccc(N(CN2C(=O)C3CC=CCC3C2=O)C(=O)c2ccco2)cc1Cl,0,0.0,
+Cc1ccc(N(CN2C(=O)NC(C)(C)C2=O)CN2C(=O)NC(C)(C)C2=O)cc1,0,0.0,
+Cc1ccc(N(CN2CCCC2=O)C(=O)c2ccc(C)c(C)c2)cc1,0,0.0,
+Cc1ccc(N(CN2CCCC2=O)C(=O)c2ccc(OC(C)C)cc2)cc1,0,0.0,
+Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccco2)cc1,0,0.0,
+Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c(C)c1,0,0.0,
+Cc1ccc(N(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1,0,0.0,
+Cc1ccc(N(O)C(=O)OCCNC(=O)Nc2ccccc2)cc1,0,0.0,
+Cc1ccc(N)c(C(=O)CCCCC(=O)O)c1,0,0.0,
+Cc1ccc(N)c(C(O)(C(F)(F)F)C(F)(F)F)c1,0,0.0,
+Cc1ccc(N)cc1-n1c(C)ccc1C,0,0.0,
+Cc1ccc(N)cc1CN1CCCC1=O,0,0.0,
+Cc1ccc(N/C=C\C(=O)C2C(=O)CC(C)(C)CC2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)C(Cl)=C(NCCO)C2=O)c(C)c1,0,0.0,
+Cc1ccc(N2C(=O)C(Cl)=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1,1,100.0,1.0
+Cc1ccc(N2C(=O)C3C(C2=O)C(C(=O)c2ccc(Cl)cc2)N2CCCC32)cc1,0,0.0,
+Cc1ccc(N2C(=O)C3C(C2=O)C2C=CC3C23CC3)cc1,0,0.0,
+Cc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1C,0,0.0,
+Cc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccncc4)C3C2=O)c(C)c1,0,0.0,
+Cc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccncc4)C3C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)CC(=O)NC2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)CC(N(O)C3CC(=O)N(c4ccc(C)cc4)C3=O)C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)CC(N3CCN(C4CCc5ccccc5C4)CC3)C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)CC(NCc3ccc4c(c3)OCO4)C2=O)cc1Cl,0,0.0,
+Cc1ccc(N2C(=O)CC3(CC4C=CC3C4)C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc1,1,100.0,0.0
+Cc1ccc(N2C(=O)CSC2c2cccs2)cc1,0,0.0,
+Cc1ccc(N2C(=O)NC(=O)C3(Cc4ccccc4N4CCCC43)C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)NC(=O)C3(Cc4ccccc4N4CCN(c5ccccc5)CC43)C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)NC3(CCCCC3)C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCCCN(C)C)cc1C,0,0.0,
+Cc1ccc(N2C(=O)SC(N(CC(=O)O)c3cccc(C)c3)C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)[C@@H]3C(c4ccc(F)cc4)=NO[C@@H]3C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2CCCN2[C@@H]3C(=O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C=CN2[C@@H]3C(=O)c2ccco2)c(C)c1,0,0.0,
+Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C=CN2[C@@H]3C(=O)c2ccco2)cc1,0,0.0,
+Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(c5ccccc5F)CC4)cc3C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)c3ccc(C(=O)NCCN4CCOCC4)cc3C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1,0,0.0,
+Cc1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1C,0,0.0,
+Cc1ccc(N2C(=O)c3cccc4c(N5CCN(C)CC5)ccc(c34)C2=O)c2cccnc12,1,100.0,
+Cc1ccc(N2C(=O)c3ccccc3C2(O)c2ncc[nH]2)cc1,0,0.0,
+Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1C,0,0.0,
+Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl,0,0.0,
+Cc1ccc(N2C(=O)c3ccccc3C2Nc2ccc(Br)cn2)nc1,0,0.0,
+Cc1ccc(N2C(=O)c3ccccc3C2Nc2ccccc2F)nc1,0,0.0,
+Cc1ccc(N2C(=O)c3ccccc3C2Nc2cccnc2)nc1,0,0.0,
+Cc1ccc(N2C(=O)c3ccccc3C2O)nc1,0,0.0,
+Cc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccn2)cc1,0,0.0,
+Cc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2cccnc2)cc1,0,0.0,
+Cc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccco2)cc1,0,0.0,
+Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc(O)c2)nc1,0,0.0,
+Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccnc2)nc1,0,0.0,
+Cc1ccc(N2C(=O)c3sc4nnc(C)c(=O)n4c3C2=O)cc1,0,0.0,
+Cc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CC(C)(C)CC3=O)cc1,0,0.0,
+Cc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CCCC3=O)cc1,0,0.0,
+Cc1ccc(N2C(N)=NC(N)=NC2(C)C)c(C)c1,0,0.0,
+Cc1ccc(N2C(N)=NC(N)=NC23CCCC3)c(C)c1,0,0.0,
+Cc1ccc(N2CC(C(=O)N3CCCc4ccccc43)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)N3CCc4ccccc43)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)N3CCc4ccccc4C3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1C,0,0.0,
+Cc1ccc(N2CC(C(=O)NC3CCSC3=O)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)NCC3CCCO3)CC2=O)cc1Cl,0,0.0,
+Cc1ccc(N2CC(C(=O)NCCC(C)C)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)NCCCn3ccnc3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1C,0,0.0,
+Cc1ccc(N2CC(C(=O)NCc3ccccn3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)NCc3cccnc3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)NCc3cccs3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3cc(C)ccc3F)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1C,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3cccc(F)c3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3ccncc3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3nnc(C(C)C)s3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Nc3nnc(C)s3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)OCC(=O)C(C)(C)C)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)OCC(=O)C(C)(C)C)CC2=O)cc1C,0,0.0,
+Cc1ccc(N2CC(C(=O)OCc3ccccc3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)OCc3ccccc3F)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(=O)Oc3cccc(N4C(=O)CCC4=O)c3)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(N)=O)CC2=O)cc1,0,0.0,
+Cc1ccc(N2CC(C(N)=O)CC2=O)cc1C,0,0.0,
+Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)cc1C,0,0.0,
+Cc1ccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)c(C)c1,0,0.0,
+Cc1ccc(N2CC(c3nc4ccccc4n3C)CC2=O)cc1C,1,100.0,1.0
+Cc1ccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1,0,0.0,
+Cc1ccc(N2CCCCn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)cc1,0,0.0,
+Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)cc1C,0,0.0,
+Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,0,0.0,
+Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)CC2C)cc1,0,0.0,
+Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Br)s3)CC2C)cc1,0,0.0,
+Cc1ccc(N2CCN(C(=O)N3CCCC3)CC2)cc1Cl,0,0.0,
+Cc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(C)c1,0,0.0,
+Cc1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)c(C)c1,0,0.0,
+Cc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C)c1,0,0.0,
+Cc1ccc(N2CCN(C(=S)c3ccc(N(C)C)cc3)CC2)cc1,0,0.0,
+Cc1ccc(N2CCN(CC(O)COC3CCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(N2CCN(CC3CC=CCC3)CC2)cc1,0,0.0,
+Cc1ccc(N2CCN(CCc3nc4cc(NS(C)(=O)=O)ccc4n3C)CC2)cc1,1,100.0,1.0
+Cc1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1,0,0.0,
+Cc1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1Cl,0,0.0,
+Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)c(C)c1,0,0.0,
+Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1,1,100.0,
+Cc1ccc(N2CCN(c3cc(C)nc4c5c(C)cc(C)nc5nn34)CC2)cc1,0,0.0,
+Cc1ccc(N2CCN(c3cc(C)nc4nc(C)nn34)CC2)c(C)c1,0,0.0,
+Cc1ccc(N2CCN(c3ccc(C)cc3)C(CC(=O)O)C2=O)cc1,0,0.0,
+Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccccn2)cc1,0,0.0,
+Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccncc2)cc1,0,0.0,
+Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,0,0.0,
+Cc1ccc(N2CN=c3s/c(=C\c4ccccn4)c(=O)n3C2)cc1,0,0.0,
+Cc1ccc(N2CN=c3s/c(=C\c4cccnc4)c(=O)n3C2)cc1,0,0.0,
+Cc1ccc(N2Cc3ccccc3OC(C)C2=O)cc1,0,0.0,
+Cc1ccc(N2OC3C(=O)NC(=O)C3C2c2ccco2)cc1,0,0.0,
+Cc1ccc(N=C(c2cccs2)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(N=C2NC(=O)CS2)c(C)c1,0,0.0,
+Cc1ccc(N=C2SCCCN2C(=O)c2ccco2)cc1Cl,1,100.0,1.0
+Cc1ccc(N=Cc2c(O)n(C)c(=O)n(C)c2=O)nc1,0,0.0,
+Cc1ccc(N=Cc2ccc(O)cc2O)cc1F,0,0.0,
+Cc1ccc(N=Cc2ccc[nH]2)c(O)c1,0,0.0,
+Cc1ccc(N=Cc2cccc(O)c2O)c(C)c1,0,0.0,
+Cc1ccc(N=Cc2nc(-c3ccco3)oc2O)cc1,0,0.0,
+Cc1ccc(N=c2oc3cc(O)ccc3cc2C(N)=O)cc1,0,0.0,
+Cc1ccc(NC(=O)/C(CN(C)C)=N\O)cc1,0,0.0,
+Cc1ccc(NC(=O)C(C)N2C(=O)C3CC=C(Cl)CC3C2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)C(C)N2CCOCC2)c(C(=O)c2ccccc2)c1,0,0.0,
+Cc1ccc(NC(=O)C(C)Sc2nnc(-c3cccnc3)o2)cc1,0,0.0,
+Cc1ccc(NC(=O)C2(N(C(=O)Cn3nnnc3N)c3ccc(C)cc3)CCCCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)C2C(=O)N(CCO)C3(C)CC2c2ccccc2O3)cc1,0,0.0,
+Cc1ccc(NC(=O)C2C3C=CC4(CN(Cc5cccnc5)C(=O)C24)O3)cc1,0,0.0,
+Cc1ccc(NC(=O)C2C3C=CC4(CN(Cc5cccnc5)C(=O)C24)O3)cc1F,0,0.0,
+Cc1ccc(NC(=O)C2C3CC4OC(=O)C2C4C3)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)C2CC(=O)NC(N3CCCCC3)=N2)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)C2CC(=O)NC(N3CCc4ccccc43)=N2)cc1,0,0.0,
+Cc1ccc(NC(=O)C2CC(=O)NC(Nc3cccc(C)c3)=N2)cc1,0,0.0,
+Cc1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1,0,0.0,
+Cc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)cc1F,0,0.0,
+Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1F,0,0.0,
+Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nc1,0,0.0,
+Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)nc1,0,0.0,
+Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1,0,0.0,
+Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c(Br)c1,0,0.0,
+Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1C,0,0.0,
+Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1F,0,0.0,
+Cc1ccc(NC(=O)C2CCCN(c3ncccn3)C2)cc1F,0,0.0,
+Cc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1,0,0.0,
+Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1F,0,0.0,
+Cc1ccc(NC(=O)C2CCCNC2=O)nc1,0,0.0,
+Cc1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)nc1,0,0.0,
+Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)nc1,0,0.0,
+Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)nc1,0,0.0,
+Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)nc1,0,0.0,
+Cc1ccc(NC(=O)CC(=O)NCCN2CCOCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)CC(NCCN2CCOCC2)C(=O)O)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c(Br)c1,0,0.0,
+Cc1ccc(NC(=O)CC2C(=O)NC3CCCCC3N2C(=O)c2ccc(F)cc2)cc1C,0,0.0,
+Cc1ccc(NC(=O)CC2NCCNC2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CC2SC3=NCCCN3C2=O)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CC2SC3=NCCN3C2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)CCC(=O)O)cc1F,0,0.0,
+Cc1ccc(NC(=O)CCC(=O)OCC(F)(F)C(F)F)cc1,0,0.0,
+Cc1ccc(NC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F)cc1,0,0.0,
+Cc1ccc(NC(=O)CCC(C(=O)O)N2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)CCCC(=O)O)c(Br)c1,0,0.0,
+Cc1ccc(NC(=O)CCCCCC2NC(=O)NC2C)cc1,0,0.0,
+Cc1ccc(NC(=O)CCN2C(=O)c3ccncc3C2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc1C,0,0.0,
+Cc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1,0,0.0,
+Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,0,0.0,
+Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1C,0,0.0,
+Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1,0,0.0,
+Cc1ccc(NC(=O)CCSc2nnc(-c3ccco3)o2)cc1,0,0.0,
+Cc1ccc(NC(=O)CCSc2nnnn2-c2ccc3c(c2)OCO3)cc1C,0,0.0,
+Cc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1,0,0.0,
+Cc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)nc1,0,0.0,
+Cc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1,0,0.0,
+Cc1ccc(NC(=O)CCn2cccc2)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)CCn2nc(C)cc2C)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CN(C)C(=O)CCCN2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1,0,0.0,
+Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1,0,0.0,
+Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1C,1,100.0,0.0
+Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1F,0,0.0,
+Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)cc1C,0,0.0,
+Cc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1,0,0.0,
+Cc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)nc1,0,0.0,
+Cc1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)n[nH]c2C)cc1,0,0.0,
+Cc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)nc1,0,0.0,
+Cc1ccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)nc1,0,0.0,
+Cc1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(Cl)c1,0,0.0,
+Cc1ccc(NC(=O)CN2CC(C)SC2=NC2CCCCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)CN2CCC3(O)CCCCC3C2c2ccc3c(c2)OCO3)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CN2CCCCCC2)c(Br)c1,0,0.0,
+Cc1ccc(NC(=O)CNS(=O)(=O)c2cccs2)cc1F,0,0.0,
+Cc1ccc(NC(=O)CNc2cccc(C)c2C)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)COC(=O)C2=COCCO2)cc1,0,0.0,
+Cc1ccc(NC(=O)COC(=O)C2CC2C)c(S(=O)(=O)N2CCCCC2)c1,1,100.0,0.0
+Cc1ccc(NC(=O)COC(=O)C2CCC(=O)N2)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c(=O)[nH]2)cc1,0,0.0,
+Cc1ccc(NC(=O)COC(=O)CN2CSCC2=O)cc1C,0,0.0,
+Cc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1C,0,0.0,
+Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)C2CCCN32)cc1,0,0.0,
+Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)C2CCCN32)cc1C,0,0.0,
+Cc1ccc(NC(=O)COC(=O)c2ccn(C)n2)cc1,0,0.0,
+Cc1ccc(NC(=O)COC(=O)c2ccnn2C)cc1,0,0.0,
+Cc1ccc(NC(=O)COS(=O)c2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(NC(=O)COc2ccc(/C(N)=N/O)cc2)cc1C,0,0.0,
+Cc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)nc1,0,0.0,
+Cc1ccc(NC(=O)COc2nc(C)cs2)cc1,0,0.0,
+Cc1ccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)N(C2CCCC2)C(C)C(=O)NC2CCCCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)N(CC(=O)NC2CCCC2)c2cc(C)ccc2C)cc1,0,0.0,
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)N(CC(=O)NC2CCCC2)c2cccc(C)c2C)cc1,0,0.0,
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)N(c2ccccc2)C(C)C(=O)NC2CCCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)NC(C)CCc2ccco2)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1,1,100.0,0.0
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)NCC2CCCO2)cc1,0,0.0,
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)NCC2OCCc3ccccc32)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)NCCCN(C)c2ccccc2)cc1,0,0.0,
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)Nc2ccc3c(c2)OCO3)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)C[S+]([O-])CC(=O)Nc2cccc(C)c2C)cc1F,0,0.0,
+Cc1ccc(NC(=O)CSC(N)=O)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccc4c(c3)OCO4)C3=C(CCCC3=O)N2)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccc4c(c3)OCO4)CC(=O)N2)cc1C,0,0.0,
+Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CC(C)(C)CC3=O)N2)cc1,0,0.0,
+Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1,0,0.0,
+Cc1ccc(NC(=O)CSCC(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1,0,0.0,
+Cc1ccc(NC(=O)CSCC(=O)O)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CSCC(N)=O)cc1C,0,0.0,
+Cc1ccc(NC(=O)CSCc2c(C)noc2C)cc1C,0,0.0,
+Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1,0,0.0,
+Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1C,0,0.0,
+Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)cc1C,0,0.0,
+Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1,0,0.0,
+Cc1ccc(NC(=O)CSc2nccc(=O)[nH]2)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1C,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)cc1C,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)cc1C,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1C,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1C,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1C,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)cc1F,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)cc1C,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2Cc2ccco2)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)cc1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc(NC(=O)CN3CCOCC3)s2)cc1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc([C@@H](N)Cc3c[nH]c4ccccc34)o2)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)CSc2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)o2)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)Cc2cn3ccsc3n2)nc1,0,0.0,
+Cc1ccc(NC(=O)Cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1,0,0.0,
+Cc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F,0,0.0,
+Cc1ccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1,0,0.0,
+Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=N)c3c4c(sc32)COC(C)(C)C4)cc1,0,0.0,
+Cc1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)c(Cl)c1,0,0.0,
+Cc1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)cc1,0,0.0,
+Cc1ccc(NC(=O)Cn2cccc2)c(Br)c1,1,100.0,0.0
+Cc1ccc(NC(=O)Cn2cccc2)cc1C,0,0.0,
+Cc1ccc(NC(=O)Cn2cccc2)cc1Cl,0,0.0,
+Cc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1F,0,0.0,
+Cc1ccc(NC(=O)Cn2nc(C)cc2C)cc1,0,0.0,
+Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1C,0,0.0,
+Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)cc1,0,0.0,
+Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(C)c3)c2N)cc1,0,0.0,
+Cc1ccc(NC(=O)N(C2=NCC(C)S2)c2ccccc2)cc1,0,0.0,
+Cc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1,0,0.0,
+Cc1ccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)CC2COCCO2)cc1,0,0.0,
+Cc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1,0,0.0,
+Cc1ccc(NC(=O)N(Cc2ccco2)C(C)c2ccco2)cc1C,0,0.0,
+Cc1ccc(NC(=O)N2C(=O)C3(OCCO3)c3ccccc32)cc1,0,0.0,
+Cc1ccc(NC(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1,0,0.0,
+Cc1ccc(NC(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1,0,0.0,
+Cc1ccc(NC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(NC(=O)N2CCC(C(N)=O)CC2)cc1,0,0.0,
+Cc1ccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1,0,0.0,
+Cc1ccc(NC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1,0,0.0,
+Cc1ccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[nH]3)CC2)cc1,0,0.0,
+Cc1ccc(NC(=O)N2CCCC2C(=O)NCCC2=CCCCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)N2CCCC2C(=O)NCCc2ccccc2)cc1,0,0.0,
+Cc1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)C2)cc1C,1,100.0,0.0
+Cc1ccc(NC(=O)NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c(C)c1,1,100.0,0.0
+Cc1ccc(NC(=O)NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)NC(=O)CSc2nnnn2C)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)NC(=O)N(c2ccccc2)S(C)(=O)=O)cc1,0,0.0,
+Cc1ccc(NC(=O)NC2(C(=O)NCc3ccco3)CCCCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)NC2=N/C(=C(/C#N)C(=O)N3CCCC3)c3ccccc32)cc1,0,0.0,
+Cc1ccc(NC(=O)NC2CCCCC2)cc1Cl,1,100.0,0.0
+Cc1ccc(NC(=O)NC2CCN(CC(=O)Nc3nccs3)CC2)cc1,0,0.0,
+Cc1ccc(NC(=O)NCC(c2cccnc2)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)NCCCN2CCOCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,0,0.0,
+Cc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,0,0.0,
+Cc1ccc(NC(=O)Nc2ccc(F)cc2)nc1,0,0.0,
+Cc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)nc1,0,0.0,
+Cc1ccc(NC(=O)Nc2cccs2)cc1,0,0.0,
+Cc1ccc(NC(=O)OCC(F)(F)C(F)F)cc1NC(=O)OCC(F)(F)C(F)F,0,0.0,
+Cc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1F,1,100.0,0.0
+Cc1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)nc1,0,0.0,
+Cc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)nc1,0,0.0,
+Cc1ccc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc1C,0,0.0,
+Cc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1,0,0.0,
+Cc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1C,0,0.0,
+Cc1ccc(NC(=O)c2cc(C)on2)cc1,0,0.0,
+Cc1ccc(NC(=O)c2cc(N(C)C)ccc2[P+](=O)O)cc1,0,0.0,
+Cc1ccc(NC(=O)c2cc(N3CCOCC3)nc3ccccc23)cc1,0,0.0,
+Cc1ccc(NC(=O)c2cc(NC(=O)C3CC=CCC3C(=O)O)ccc2N2CCOCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCOCC2)cc1,0,0.0,
+Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2F)cc1,0,0.0,
+Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1F,0,0.0,
+Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1C,0,0.0,
+Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1,0,0.0,
+Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,0,0.0,
+Cc1ccc(NC(=O)c2ccc3c(c2)N(CC(=O)N2CCCCC2)C(=O)C(C)(C)O3)cc1,0,0.0,
+Cc1ccc(NC(=O)c2ccc3ccccc3n2)nc1,0,0.0,
+Cc1ccc(NC(=O)c2cccc(Cl)c2)nc1,0,0.0,
+Cc1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)nc1,0,0.0,
+Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)c2ccccc2)s1,0,0.0,
+Cc1ccc(NC(=O)c2ccccc2F)nc1,0,0.0,
+Cc1ccc(NC(=O)c2ccccc2O)cc1,0,0.0,
+Cc1ccc(NC(=O)c2ccco2)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1,0,0.0,
+Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2cccs2)c1,1,100.0,0.0
+Cc1ccc(NC(=O)c2ccco2)cc1C,0,0.0,
+Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1nnc(-c2cccs2)n1C,0,0.0,
+Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccco1,0,0.0,
+Cc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)c(C)c1,0,0.0,
+Cc1ccc(NC(=O)c2cnccn2)c(OC(F)F)c1,0,0.0,
+Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1,0,0.0,
+Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1C,0,0.0,
+Cc1ccc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)cc1,0,0.0,
+Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1C,0,0.0,
+Cc1ccc(NC(=O)c2noc3c2CCCCC3)cc1,0,0.0,
+Cc1ccc(NC(=O)c2noc3c2CCCCC3)cc1C,0,0.0,
+Cc1ccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1,0,0.0,
+Cc1ccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)cc1C,0,0.0,
+Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(NC(=O)c2ocnc2C)cc1Cl,0,0.0,
+Cc1ccc(NC(C(N)=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1,0,0.0,
+Cc1ccc(NC2=CC(=O)CC(C)(C)C2)c(N)c1,0,0.0,
+Cc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1C,0,0.0,
+Cc1ccc(NC2=CC(=O)CC(c3ccco3)C2)c(N)c1,0,0.0,
+Cc1ccc(NC2=CC(=O)CCC2)cc1C,0,0.0,
+Cc1ccc(NC2=NC(C(=O)Nc3ccc(C)c(C)c3)CC(=O)N2)cc1,0,0.0,
+Cc1ccc(NC2=NC(c3ccc(C)cc3)n3c(nc(C)cc3=O)N2)cc1,0,0.0,
+Cc1ccc(NC2=NC(c3ccc(O)cc3)n3c(nc(C)cc3=O)N2)cc1,0,0.0,
+Cc1ccc(NC2=NC(c3ccccc3)n3c(nc(C)cc3=O)N2)cc1,0,0.0,
+Cc1ccc(NC2=NC(c3ccco3)n3c(nc(C)cc3=O)N2)c(C)c1,0,0.0,
+Cc1ccc(NC2=NC3(CCCCC3)N=C(N)N2)c(C)c1,0,0.0,
+Cc1ccc(NC2=NCC(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1,0,0.0,
+Cc1ccc(NC2=NCC(=O)N2Cc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(NC2=NCC(=O)N2c2ccc3c(c2)OCCO3)c(C)c1,0,0.0,
+Cc1ccc(NC2=Nc3ccccc3CS2)cc1,0,0.0,
+Cc1ccc(NC2CC(=O)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1,0,0.0,
+Cc1ccc(NC2SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)cc1,0,0.0,
+Cc1ccc(NC2c3ncccc3C(=O)N2C2CCCCC2)cc1,0,0.0,
+Cc1ccc(NC2c3ncccc3C(=O)N2C2CCCCC2)cc1C,0,0.0,
+Cc1ccc(NC2c3ncccc3C(=O)N2Cc2ccc(F)cc2)cc1,0,0.0,
+Cc1ccc(NC2c3ncccc3C(=O)N2c2ccccc2C)cc1C,0,0.0,
+Cc1ccc(NCC(O)C(O)C(O)CO)cc1C,0,0.0,
+Cc1ccc(NCCNc2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(NCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,0,0.0,
+Cc1ccc(NCN2C(=O)c3ccccc3C2=O)c(C)c1,0,0.0,
+Cc1ccc(NCc2nc3ccccc3n2C)cc1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)N3CCCCC3)n2CC2CCCO2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)N3CCc4ccccc43)n2C)cc1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)NCCc3ccccc3)n2C)cc1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)NCc3ccco3)n2CC2CCCO2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)NCc3ccco3)n2CC2CCCO2)cc1Cl,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)Nc3cccc(O)c3)n2CC2CCCO2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3)n2CC2CCCO2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)Nc3ncc(C)s3)n2CC2CCCO2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)Nc3ncc(C)s3)n2Cc2ccco2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)OC3CCCCC3)o2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2Cc2ccco2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)o2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCCN3CCCCC3)n2CC2CCCO2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc(SCCN3CCCCC3)n2CC2CCCO2)cc1Cl,0,0.0,
+Cc1ccc(NCc2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c(C)c1,0,0.0,
+Cc1ccc(NCc2nnc3n2CCCCC3)cc1,0,0.0,
+Cc1ccc(NP(C)(=O)Oc2ccccc2)c(C)c1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2C)cc1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c(C)c1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCN(C)CC3)cc2)cc1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C)CC3)c2)cc1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCOCC3)cc2)cc1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c(C)c1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1F,0,0.0,
+Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1F,0,0.0,
+Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C)on3)c2)cc1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c(C)c1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccco3)c2)cc1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2cccc(C(=O)n3ncc(C#N)c3N)c2)c(C)c1,0,0.0,
+Cc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1,0,0.0,
+Cc1ccc(Nc2c3c(nc4ncnn24)CCC3)cc1,0,0.0,
+Cc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1,0,0.0,
+Cc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)cc1C,0,0.0,
+Cc1ccc(Nc2cc(C)nc3nc(C)nn23)c(C)c1,0,0.0,
+Cc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0,0.0,
+Cc1ccc(Nc2cc(C)nc3ncnn23)c(Cl)c1,0,0.0,
+Cc1ccc(Nc2cc(C)nc3nnnn23)cc1,0,0.0,
+Cc1ccc(Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1,0,0.0,
+Cc1ccc(Nc2cc(C)nn2-c2nc(C)cc(C)n2)cc1,0,0.0,
+Cc1ccc(Nc2cccccc2=O)cc1,0,0.0,
+Cc1ccc(Nc2nc(=O)c3cccnc3s2)cc1,0,0.0,
+Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cs2)cc1,0,0.0,
+Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)NCCN4CCOCC4)CC3)cs2)cc1,0,0.0,
+Cc1ccc(Nc2nc(C(=O)NCCCN3CCOCC3)cs2)cc1,0,0.0,
+Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1,0,0.0,
+Cc1ccc(Nc2nc(C)c(CCC(C)C)c(=O)[nH]2)cc1,0,0.0,
+Cc1ccc(Nc2nc(C)cc(C)n2)c(Br)c1,0,0.0,
+Cc1ccc(Nc2nc(C3CC3)cs2)cc1,0,0.0,
+Cc1ccc(Nc2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1,0,0.0,
+Cc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1,0,0.0,
+Cc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cs2)cc1,0,0.0,
+Cc1ccc(Nc2nc(CSc3nnnn3C)cs2)cc1,1,100.0,0.0
+Cc1ccc(Nc2nc(N)nc(CC#N)n2)cc1,0,0.0,
+Cc1ccc(Nc2nc(N)nc(CN3CCCCCC3)n2)c(C)c1,0,0.0,
+Cc1ccc(Nc2nc(N)nc(CN3CCCCCC3)n2)cc1,0,0.0,
+Cc1ccc(Nc2nc(N)nc(CN3CCN(C(=O)c4ccco4)CC3)n2)cc1Cl,0,0.0,
+Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c(C)c1,0,0.0,
+Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1,1,100.0,0.0
+Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1Cl,0,0.0,
+Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4)CC3)n2)cc1Cl,0,0.0,
+Cc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)c(C)c1,0,0.0,
+Cc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)cc1,0,0.0,
+Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccncc4)o3)n2)cc1,0,0.0,
+Cc1ccc(Nc2nc(N)nc(CSc3nnnn3-c3ccccc3)n2)cc1,0,0.0,
+Cc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1,0,0.0,
+Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,0,0.0,
+Cc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCOCC3)n2)cc1,1,100.0,0.0
+Cc1ccc(Nc2nc(Oc3ccc(=O)[nH]n3)nc(N(C)C)n2)cc1,0,0.0,
+Cc1ccc(Nc2nc(Oc3ccc(OCc4ccccc4)nn3)nc(N3CCOCC3)n2)cc1,0,0.0,
+Cc1ccc(Nc2nc3nonc3[nH]c2=O)cc1,0,0.0,
+Cc1ccc(Nc2nc3nonc3[nH]c2=O)cc1C,0,0.0,
+Cc1ccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c(C)c1,0,0.0,
+Cc1ccc(Nc2ncccc2C(=O)O)cc1C,0,0.0,
+Cc1ccc(Nc2ncnc3nc[nH]c23)cc1Cl,0,0.0,
+Cc1ccc(Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1,0,0.0,
+Cc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)c(C)c1,0,0.0,
+Cc1ccc(Nc2nnns2)cc1C,0,0.0,
+Cc1ccc(Nc2oc(C)nc2C#N)cc1,0,0.0,
+Cc1ccc(O)c(-c2cc(-c3ccccc3C)[nH]n2)c1,0,0.0,
+Cc1ccc(O)c(-c2cc(C(=O)NCc3ccncc3)[nH]n2)c1,0,0.0,
+Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)[nH]n2)c1,0,0.0,
+Cc1ccc(O)c(-c2cc(C(F)(F)C(F)F)[nH]n2)c1,0,0.0,
+Cc1ccc(O)c(-c2cc(C(F)(F)C(F)F)nc(-c3ccccc3)n2)c1,0,0.0,
+Cc1ccc(O)c(-c2cc3ccccc3[nH]2)c1,0,0.0,
+Cc1ccc(O)c(C(=O)CC(=O)c2cccc(F)c2)c1,0,0.0,
+Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(CC3CCCO3)c2)c1,0,0.0,
+Cc1ccc(O)c(C(=O)c2cnc3c(c2)CN(CCC(C)C)C(=O)N3)c1,0,0.0,
+Cc1ccc(O)c(C(=O)c2cnn(C(=O)Cc3csc(C)n3)c2)c1,0,0.0,
+Cc1ccc(O)c(C(CC(=O)N2CCCC2)c2ccccc2)c1,0,0.0,
+Cc1ccc(O)c(C2=NOC(O)(C(F)(F)C(F)F)C2)c1,0,0.0,
+Cc1ccc(O)c(CC(C)C)n1,0,0.0,
+Cc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1,0,0.0,
+Cc1ccc(O)c(CNc2ccccn2)c1,0,0.0,
+Cc1ccc(O)c(N=CC2=C(O)c3ccccc3C2=O)c1,0,0.0,
+Cc1ccc(O)c(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)c1,0,0.0,
+Cc1ccc(O)c(NC(=O)CCC2CCCCC2)c1,0,0.0,
+Cc1ccc(O)c(NC(=O)CCCC(=O)O)c1,0,0.0,
+Cc1ccc(O)c(NC(=O)COc2cc(C)ccc2C)c1,0,0.0,
+Cc1ccc(O)c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1,0,0.0,
+Cc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1,0,0.0,
+Cc1ccc(O)c(NC(=O)c2ccco2)c1,0,0.0,
+Cc1ccc(O)c(Sc2cc(C)ccc2O)c1,0,0.0,
+Cc1ccc(OC(=O)C(F)(F)F)c2c1NCCC2,0,0.0,
+Cc1ccc(OC(=O)CCC(=O)N2CCc3ccccc32)cc1,0,0.0,
+Cc1ccc(OC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F)cc1,0,0.0,
+Cc1ccc(OC(=O)CCc2c(C)nc3ncnn3c2C)cc1,0,0.0,
+Cc1ccc(OC(=O)NC2CCS(=O)(=O)C2)cc1C,0,0.0,
+Cc1ccc(OC(=O)c2ccc(C)c(C)c2)cn1,0,0.0,
+Cc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C)cn3)n2)nc1,0,0.0,
+Cc1ccc(OC(C)C(=O)N2CCc3ccccc32)cc1,0,0.0,
+Cc1ccc(OC(C)c2nnc(N)s2)cc1Cl,0,0.0,
+Cc1ccc(OCC(=O)N(C)CCc2ccccn2)cc1,0,0.0,
+Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+Cc1ccc(OCC(=O)N2CCC(N3CCCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(OCC(=O)N2CCCCC2)c(Br)c1,0,0.0,
+Cc1ccc(OCC(=O)N2CCCCCC2)c(C)c1,0,0.0,
+Cc1ccc(OCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1,0,0.0,
+Cc1ccc(OCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,0,0.0,
+Cc1ccc(OCC(=O)N2CCN(C)CC2)c(Br)c1,0,0.0,
+Cc1ccc(OCC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1,0,0.0,
+Cc1ccc(OCC(=O)N2CCN(CC3CC4C=CC3C4)CC2)cc1,0,0.0,
+Cc1ccc(OCC(=O)NCC(=O)n2nc(C)cc2C)cc1,0,0.0,
+Cc1ccc(OCC(=O)NCCN2CCCC2)cc1,0,0.0,
+Cc1ccc(OCC(=O)NCCN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1,0,0.0,
+Cc1ccc(OCC(=O)NCc2ccccn2)c(Br)c1,0,0.0,
+Cc1ccc(OCC(=O)NCc2ccccn2)cc1,0,0.0,
+Cc1ccc(OCC(=O)NCc2ccco2)cc1C,0,0.0,
+Cc1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1,0,0.0,
+Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1,0,0.0,
+Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1,0,0.0,
+Cc1ccc(OCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1,0,0.0,
+Cc1ccc(OCC(=O)Nc2ccc(N(C)C)cc2)cc1,0,0.0,
+Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1C,1,100.0,0.0
+Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1,0,0.0,
+Cc1ccc(OCC(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1,0,0.0,
+Cc1ccc(OCC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1C,0,0.0,
+Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1,0,0.0,
+Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCOCC2)n3C)cc1,0,0.0,
+Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCOC2)cc1,0,0.0,
+Cc1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1,0,0.0,
+Cc1ccc(OCC(=O)Nc2cccc(C)n2)c(C)c1,0,0.0,
+Cc1ccc(OCC(=O)Nc2cccc(O)c2)cc1C,0,0.0,
+Cc1ccc(OCC(=O)Nc2nnn(C)n2)c(C)c1,0,0.0,
+Cc1ccc(OCC(=O)O)c(-n2nc3ccccc3n2)c1,0,0.0,
+Cc1ccc(OCC(=O)OC2CCS(=O)(=O)C2)cc1,0,0.0,
+Cc1ccc(OCC(=O)OC2CN3CCC2CC3)cc1,1,100.0,1.0
+Cc1ccc(OCC(=O)n2cnnc2N)c(C)c1,0,0.0,
+Cc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1C,0,0.0,
+Cc1ccc(OCC(O)CN2CCN(CC(O)COC(C)C)CC2)c(C(C)(C)C)c1,0,0.0,
+Cc1ccc(OCC(O)CN2CCN(CC(O)COc3ccc(C)cc3)CC2)cc1,0,0.0,
+Cc1ccc(OCC(O)CN2CCN(CC(O)COc3ccc(C)cc3Cl)CC2)c(Cl)c1,0,0.0,
+Cc1ccc(OCC(O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1,0,0.0,
+Cc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(OCC(O)CNS(=O)(=O)c2ccccc2C(=O)N2CCCCC2)cc1,0,0.0,
+Cc1ccc(OCC(O)CNS(=O)(=O)c2ccccc2C(=O)O)cc1,0,0.0,
+Cc1ccc(OCC(O)Cn2c(=N)n(CCN3CCCCC3)c3ccccc32)cc1,0,0.0,
+Cc1ccc(OCC(O)Cn2c(=N)n(CCN3CCOCC3)c3ccccc32)cc1,0,0.0,
+Cc1ccc(OCC(O)Cn2c(N3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+Cc1ccc(OCC(O)Cn2c(NCCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0.0,
+Cc1ccc(OCC2Cn3c(nc4c3c(=O)n(C)c(=O)n4C)O2)cc1,0,0.0,
+Cc1ccc(OCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0.0,
+Cc1ccc(OCCC(=O)OCC(=O)C(C)(C)C)cc1,0,0.0,
+Cc1ccc(OCCC(=O)OCC(=O)N2c3ccccc3CC2C)cc1,0,0.0,
+Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1,0,0.0,
+Cc1ccc(OCCCC(=O)N2CCOCC2)c(C)c1,0,0.0,
+Cc1ccc(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,1,100.0,0.0
+Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1,0,0.0,
+Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(OCCCC(=O)Nc2nncs2)cc1,0,0.0,
+Cc1ccc(OCCCCn2ccnc2)c(Cl)c1,0,0.0,
+Cc1ccc(OCCCN(C)C)c(Br)c1,0,0.0,
+Cc1ccc(OCCCn2c(CO)nc3ccccc32)cc1,0,0.0,
+Cc1ccc(OCCN2C(=O)CSC2=O)cc1,0,0.0,
+Cc1ccc(OCCN2C(=O)OC(C)(C)C2(C)O)cc1,0,0.0,
+Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)c(C)c1,0,0.0,
+Cc1ccc(OCCN2CCCCCC2)c(C)c1,0,0.0,
+Cc1ccc(OCCN2CCN(C(=O)CCC(=O)Nc3nnc(C(C)C)s3)CC2)cc1,0,0.0,
+Cc1ccc(OCCN2CCN(C(=O)CCC(=O)Nc3nnc(C)s3)CC2)cc1,0,0.0,
+Cc1ccc(OCCNC(=O)c2ccccc2N)cc1,0,0.0,
+Cc1ccc(OCCNC(=O)c2ccco2)cc1C,0,0.0,
+Cc1ccc(OCCNS(=O)(=O)c2cccs2)cc1,0,0.0,
+Cc1ccc(OCCOCCn2ccnc2)c(Br)c1,0,0.0,
+Cc1ccc(OCCSc2cc(C)nc(N)n2)cc1,0,0.0,
+Cc1ccc(OCCSc2nnc(-c3ccncc3)n2C)cc1,0,0.0,
+Cc1ccc(OCCSc2nnc(NC(=O)c3ccco3)s2)cc1,1,100.0,0.0
+Cc1ccc(OCCn2c(=O)cnc3ccccc32)cc1,0,0.0,
+Cc1ccc(OCCn2c(C)c(/C=N/n3cnnc3)c3ccccc32)cc1,0,0.0,
+Cc1ccc(OCCn2c(CCCO)nc3ccccc32)cc1,0,0.0,
+Cc1ccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc32)cc1,0,0.0,
+Cc1ccc(OCCn2cc(/C(N)=N/O)c3ccccc32)cc1C,0,0.0,
+Cc1ccc(OCCn2ccc(=O)[nH]c2=O)cc1C,0,0.0,
+Cc1ccc(OCCn2nc3ccccc3n2)c(C)c1,0,0.0,
+Cc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1C,0,0.0,
+Cc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1,0,0.0,
+Cc1ccc(OCc2ccoc2C(=O)O)cc1C,0,0.0,
+Cc1ccc(OCc2nc(-c3ccccc3)no2)c(C)c1,0,0.0,
+Cc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1,0,0.0,
+Cc1ccc(OCc2nc(C#N)c(N3CCCC3)o2)cc1,0,0.0,
+Cc1ccc(OCc2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1,0,0.0,
+Cc1ccc(OCc2nc(C#N)c(NCCCn3ccnc3)o2)cc1,0,0.0,
+Cc1ccc(OCc2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1,0,0.0,
+Cc1ccc(OCc2nc(C#N)c(NCc3ccco3)o2)cc1,0,0.0,
+Cc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1,0,0.0,
+Cc1ccc(OCc2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)cc1,0,0.0,
+Cc1ccc(OCc2nnc(NC(=O)Cc3cccs3)s2)cc1,0,0.0,
+Cc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)c(C)c1,0,0.0,
+Cc1ccc(OCc2nnc(SCC(=O)C(C)(C)C)n2Cc2ccco2)cc1,0,0.0,
+Cc1ccc(OCc2nnc(SCC(=O)CC(=O)Nc3ccccc3)o2)cc1,0,0.0,
+Cc1ccc(OCc2nnc(SCC(=O)N3CCOCC3)n2C)cc1,0,0.0,
+Cc1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1,0,0.0,
+Cc1ccc(OCc2nnc(SCC(=O)NCc3ccccc3)n2C)cc1,0,0.0,
+Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc1,0,0.0,
+Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2Cc2ccco2)cc1,0,0.0,
+Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1,0,0.0,
+Cc1ccc(OCc2nnc(SCC(=O)Nc3sc(C)c(C)c3C#N)n2C)cc1,0,0.0,
+Cc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2Cc2ccco2)cc1,0,0.0,
+Cc1ccc(OCc2nnc(SCCN3CCOCC3)n2C)cc1,0,0.0,
+Cc1ccc(OCc2nnc(SCc3cc(=O)[nH]c4ccccc34)o2)cc1,0,0.0,
+Cc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1,0,0.0,
+Cc1ccc(OCn2c(=O)sc3ccccc32)cc1,0,0.0,
+Cc1ccc(OS(=O)Nc2cccc3nccnc23)cc1,0,0.0,
+Cc1ccc(Oc2cc(C)nc(-c3ccccc3O)n2)cc1,0,0.0,
+Cc1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1,0,0.0,
+Cc1ccc(Oc2ccc(N)cc2)cc1,0,0.0,
+Cc1ccc(Oc2ccc(OCC(=O)NC(C)C(=O)O)cc2)cc1,0,0.0,
+Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2C(N)=O)c(-n2nc3ccccc3n2)c1,0,0.0,
+Cc1ccc(Oc2ccccc2)c(NC=O)c1,0,0.0,
+Cc1ccc(Oc2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C)cc1,0,0.0,
+Cc1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1,0,0.0,
+Cc1ccc(Oc2nsnc2N2CCOCC2)cc1,0,0.0,
+Cc1ccc(P(=Nc2ccccc2)(N2CCOCC2)N2CCOCC2)o1,0,0.0,
+Cc1ccc(P(=O)(CC(=O)O)c2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(P(=O)(O)c2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(P(=O)(OCCN2CCOCC2)C(C)(C)C)o1,0,0.0,
+Cc1ccc(P(=S)(c2ccc(C)o2)N2CCOCC2)o1,0,0.0,
+Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCN(C)CC3)nc3ccccn3c2=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)/N=C(/Nc2nc(C)cc(C)n2)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)/N=C(\CN2CCCCC2)N2CCOCC2)cc1,1,100.0,0.0
+Cc1ccc(S(=O)(=O)/N=C(\CN2CCOCC2)N2CCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)/N=C/c2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CC(C)OC(C)C2)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCC(C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2OC(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C(CCC(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cccnc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)N(C)C3CCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)N3CCCC(C)C3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)N3CCCCC3C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)N3CCCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)N3CCN(C4CCCCC4)CC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)NC3CCCC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccc(F)c3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccnc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)Nc3nccs3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)C2(C(=O)O)CCCC2)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CC(=O)N(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CC(=O)N2CCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CC(=O)N2CCCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CC(C)N2CCOCC2)c(S(=O)(=O)CC(C)N2CCOCC2)c1,0,0.0,
+Cc1ccc(S(=O)(=O)CC(c2ccccc2)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CC2CSc3nc(N)cc(=O)n32)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CC2CSc3nnc(C)c(=O)n32)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CCC(=O)c2ccc(O)cc2O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CCSc2nc(C)cc(C)c2C#N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CCc2ccccn2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CCc2nc3ccccc3n2CCC#N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)C3CCCO3)s2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3ccccn3)s2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3cnccn3)s2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)CNC(=O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC4(CC3)OCCO4)o2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCCCC3)o2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)o2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)o2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCCN3CCCC3=O)o2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCCN3CCN(C)CC3)o2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)o2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCOCC3)c2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2cn3cccnc3n2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cc2csc(N)n2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2cnnn2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2C(C(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2C(C(C)C)N2CCN(Cc3ccco3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2C(C(C)C)N2CCSCC2)cc1,1,100.0,0.0
+Cc1ccc(S(=O)(=O)Cn2nnnc2C(C(C)C)N2CCc3ccccc3C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2C(C)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2C(c2ccc(F)cc2)N2CCC(C(N)=O)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2C(c2ccc(F)cc2)N2CCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2C(c2ccccc2)N2CCN(c3ncccn3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2C(c2ccccn2)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2CN(Cc2ccco2)CC2CCCO2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2CN(Cc2ccco2)Cc2cccs2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCCC3(CCCCC3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCOCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCc3ccccc32)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccn3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc32)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)n2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccncc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc3ccccc3s2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2nnc(-c3ccccc3)o2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(C=O)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(c3ccccn3)CC2)cc1.[O-][Cl+3]([O-])([O-])O,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccccn2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccncc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)CCCC(=O)n2nc(C)cc2C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)Cc2cc3ccccc3[nH]c2=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)Cc2ccc(-c3nnc4n3CCC4)cc2)cc1,1,100.0,
+Cc1ccc(S(=O)(=O)N(C)Cc2ccc(-c3nnco3)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Br)cc3)no2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccn3)no2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccnc3)no2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccncc3)no2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)c2ccc(NS(C)(=O)=O)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCc3c(C)noc3C)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(C)c2nonc2C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccc(F)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2cccc(C(F)(F)F)c2)cc1,1,100.0,0.0
+Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)C2CCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)CC(=O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccc(F)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccccc2F)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)C2CCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2F)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CC(O)CN(C)C)c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CC(O)CN2CCCC2)c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CC(O)CN2CCCCC2)c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CC(O)CN2CCOCC2)c2cc(Cl)ccc2Cl)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CCC#N)CCN2CCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(CCO)c2cc3c(s2)CCCC3)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(Cc2nccn2C)C(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)C2C=CS(=O)(=O)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N(c2ccccc2)C2CCS(=O)(=O)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)N2CCN(C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2C(=S)SCC2(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2C3C=CC(C3)C2C(=O)O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CC(=NO)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)Nc2ccc3c(c2)CCC3)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CC3(C)CN(S(=O)(=O)c4ccc(C)cc4)CC(C)(C2)C3O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CC3CCC2C3)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NCC4CCCO4)CC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NCc4cccnc4)CC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)NC3CCS(=O)(=O)C3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)NCc3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)CC2)cc1,1,100.0,1.0
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3Cc4ccccc4C3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCCCCC3)CC2)cc1,1,100.0,1.0
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NC3CCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NCC3CCCO3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NCCc3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NCc3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)N3CCN(C)CC3)C(C)C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)NCC3CCCO3)C(C)C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)NCc3ccco3)C(C)C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)COC4=O)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccco4)s3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(C4CCCC4)s3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(COc4ccccc4)s3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)OC(C)C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCc4ccccc43)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCC(N3CCCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N(Cc3cccs3)C3CC3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCC4(CC3)OCCO4)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3=NCCS3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC3COCCO3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCCCC3C)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCc3ccc4c(c3)OCO4)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccn3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3cccnc3)C2)cc1Cl,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)s1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC(NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC(c3nnc4n3-c3ccccc3SC4)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N(C)Cc2cccs2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NC2=NCCS2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NC2CCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NCCc2nc3ccccc3[nH]2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2cc(C)on2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(O)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc3c(s2)CCCC3)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc3ccccc3s2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nccs2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OCc2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OCc2nc3ccccc3s2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Oc2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)n2nc(C)cc2C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCC2CO)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2cn[nH]c2c1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ncn[nH]1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)c1nccn1C,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)N2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CCS(=O)(=O)C3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCCSCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3Cc4ccccc4CN3C(=O)c3ccco3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCc4ccccc43)CC2)cc1,1,100.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3CCCc4ccccc43)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)Nc3cccc(C#N)c3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC4(CCOc5ccccc54)C3=O)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C)CC3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2C(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCc4ccccc4C3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C)oc3C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(-c4nnco4)cc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSC3CCCC3)CC2)c(C)c1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4c(=O)[nH]3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4o3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccco4)o3)CC2)cc1,1,100.0,0.0
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C)c(=O)[nH]3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C)s3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3C)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2c2ccc(N(C)C)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c(C)c1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)C2C(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c3ccccc3c(C)nn12,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C3CC(=O)N(Cc4ccccc4)C3=O)CC2)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1,1,100.0,1.0
+Cc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nnc2c3ccccc3c(C)nn12,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C(C)C)ccc3O)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C)c3O)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4n3C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C3OCCOC32)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(c3nc(C(C)C)c4c(c3C#N)CC(C)(C)OC4)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)c4c(c3C#N)CC(C)(C)OC4)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc(C)c(C)c34)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3-n3nc(C)cc3C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC(=O)NCCOCCNC(=O)COCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1-n1cnnn1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C(=O)c2cccc(N)c2C1=O,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCOCC1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCCC1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(F)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccco1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cn2ccsc2n1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccn1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2cccnc2)cs1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N1CCc2ccccc2C1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CCSC2c2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2CN3CCN(C3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc2cc(C)on2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nn2cnnc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)C2CC(=O)Nc2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N=C2SCCCS2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=NC(C)C(=O)O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=NCC(=O)O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)COc2ccccc2C(N)=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)N2CCC(C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)N2CCCC(C)(C)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)NCc2ccccn2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)NCc2cccnc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)Nc2cc(C)ccc2F)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cn2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)Nn2c(C)nnc2C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(CCCN3CCOCC3)c2C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(CCCn3ccnc3)c2C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(C(=O)OCC(=O)NC(=O)c2cccn2C)C(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(C(=O)OCC(=O)NC2CCS(=O)(=O)C2)C(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(C)(C)CSc2nnc(N)s2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(C)(C)CSc2nncn2N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(C)C(=O)NC2CCCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccc(C(N)=O)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(C)C(c2cccs2)N2CCN(C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(CC(=O)N2CCC3(CC2)OCCO3)c2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(CC(=O)N2CCOCC2)c2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(CC(=O)N2CCc3ccccc32)c2ccco2)cc1,1,100.0,0.0
+Cc1ccc(S(=O)(=O)NC(CC(=O)NC2CCCC2)c2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(CC(=O)NCC2CCCO2)c2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(CC(=O)NCc2ccco2)c2ccco2)cc1,1,100.0,0.0
+Cc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccccc2)c(C)c1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(CC(N)=O)C(=O)O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC(CN2CCOCC2)=NCCNS(=O)(=O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(C)C2=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC2=NCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC2=NCN(C3CCCCC3)CN2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC2=NCN(C3CCN(Cc4ccccc4)CC3)CN2)cc1,1,100.0,0.0
+Cc1ccc(S(=O)(=O)NC2=NCN(CCN3CCOCC3)CN2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC2=NCN(CCc3ccccc3)CN2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC2=NCN(Cc3ccccc3)CN2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC2=NCN(Cc3cccnc3)CN2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC2CCCC(C(=O)O)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NC2OC(=O)C(Cl)=C2Cl)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC2CCCCC2)Cc2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)C2CCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)Cc2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccccc2)CC2CCCO2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)N(CCc2ccccc2)CC(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)N2CCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)OC2CCOC2=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cccs2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(=O)OCN2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(C)NS(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCN(CCC#N)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC(c2cccnc2)N(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCC(=O)NCCN2CCCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc3c(c2)OCO3)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C3CC3)s2)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)NCCC(=O)OCn2nnc3ccccc3c2=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCCC(=O)C=[N+]=[N-])cc1,1,100.0,0.0
+Cc1ccc(S(=O)(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)O)cc1.c1ccc(Nc2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCCCCC(=O)N(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCCCCC(=O)NC(C)(C)CO)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2nccs2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCCN2CCOCC2)c(C)c1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)NCCCNC(=O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCCNC(=O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCCNS(C)(=O)=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCCOC(=O)Nc2ccncc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)S(C)(=O)=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)NCCN=C(CN2CCCC2)NS(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCN=C(CN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCNC(=O)C2CCCNC2=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCNC(=O)CN2CCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCOC(=O)Nc2sc(=S)n(C)c2C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCOCCNS(=O)(=O)c2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCOc2nc(N(C)C)nc(N3CCOCC3)n2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCSc2nnc(N)s2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCSc2nnnn2-c2cc(C)ccc2C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCSc2nnnn2-c2ccc(C(N)=O)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCSc2nnnn2C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCc2ccncc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCCn2c(C)cc3ccccc32)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N(C)CCC#N)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1,1,100.0,
+Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCc2ccco2)c(C)c1C,0,0.0,
+Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)c(C)c1,0,0.0,
+Cc1ccc(S(=O)(=O)NCc2csc(C)n2)c(C)c1,0,0.0,
+Cc1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)NCc2nc3ccccc3c(=O)n2N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)O)CC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)O)CC2)C(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)NCC(=O)O)CC2)C(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C(=O)NCc1ccccn1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2N2CCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCOCC3)ccc2N2CCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCN(C)C)ccc2N2CCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCN3CCCC3)ccc2N2CCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2N2CCCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2cc(NC(=O)CN3CCOCC3)ccc2Cl)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCC#N)n3C)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2/C=N/n2cnnc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)on3)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C(C)(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccn4C)[nH]c3c2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccc3nc(N)sc3c2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccc3ncccc3c2)cc1,1,100.0,
+Cc1ccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)c(C)c1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2cccc3ncccc23)s1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCCCN1CCCC1=O,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2nc(C)cc(NCCN)n2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2nncs2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2nonc2C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)Nc2nsc(N)n2)cc1,1,100.0,0.0
+Cc1ccc(S(=O)(=O)Nn2c(C)ccc2C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)O)c(C)c1N1CCCC1=O,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)C(C)(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)C2CCCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)c2ccc(Br)o2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)c2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)c2cccs2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(N)n(C)c3nc4ccccc4nc23)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(N)n(CC3CCOC3)c3nc4ccccc4nc23)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(N)n(NC(=O)C3CC3)c3nc4ccccc4nc23)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2c(N)n(NC(=O)c3ccco3)c3nc4ccccc4nc23)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cc(C)ccc4nc3n(CC3CCCO3)c2=N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CC3CCCO3)c2=N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccco3)c2=N)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(C)c2=N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCCC1,1,100.0,
+Cc1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2SCC(=O)NCC2CCCO2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2SCC(N)=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCN2CCOCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCc2cccnc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCC(=O)NCC2CCCO2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2SCC(N)=O)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(C(C)(C)C)oc2N2CCOCC2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(C)oc2NCc2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(N3CCOCC3)sc2Cl)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(NC3CCS(=O)(=O)C3)sc2Cl)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(NCCCn3ccnc3)sc2Cl)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(Nc3nccs3)sc2Cl)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N(C)C)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCC2CCCO2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)n2ccnc2)cc1C,0,0.0,
+Cc1ccc(S(=O)(=O)n2nc(-c3ccc(Cl)cc3)nc2NCc2ccco2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)n2nc(-c3cccnc3)nc2N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2SCc2ccccc2)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)n2nc(C)c(Br)c2C)c(C)c1C,0,0.0,
+Cc1ccc(S(=O)(=O)n2nc(OC(=O)C(C)(C)C)cc2N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)n2nc(OC(=O)C3CCCCC3)cc2N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3c(-c4ccccc4Cl)noc3C)cc2N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccco3)cc2N)cc1,0,0.0,
+Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccs3)cc2N)cc1,0,0.0,
+Cc1ccc([S+]([O-])c2ccc(C)cc2)cc1,0,0.0,
+Cc1ccc(SC(C)C(=O)N2CCCC2)cc1,0,0.0,
+Cc1ccc(SC(C)C(=O)NCC(C)C)cc1,0,0.0,
+Cc1ccc(SC(C)C(=O)Nc2ncn[nH]2)cc1,0,0.0,
+Cc1ccc(SC(C)c2nc(-c3ccccc3)no2)cc1,0,0.0,
+Cc1ccc(SC(C)c2nc(-c3cccnc3)no2)cc1,0,0.0,
+Cc1ccc(SC(C)c2nc(-c3ccncc3)no2)cc1,0,0.0,
+Cc1ccc(SC/C(O)=C(\C#N)c2nc3ccccc3n2C)cc1,0,0.0,
+Cc1ccc(SC/C(O)=C(\C#N)c2nc3ccccc3s2)cc1,0,0.0,
+Cc1ccc(SCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1,0,0.0,
+Cc1ccc(SCC(=O)N2CC(C)OC(C)C2)cc1,0,0.0,
+Cc1ccc(SCC(=O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(SCC(=O)NCCCN2CCOCC2)cc1,0,0.0,
+Cc1ccc(SCC(=O)NCCN2C(=O)CSC2=O)c(C)c1,0,0.0,
+Cc1ccc(SCC(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(SCCC(=O)N(C)C)cc1,0,0.0,
+Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,0,0.0,
+Cc1ccc(SCCC(=O)N2CCCC2)cc1,0,0.0,
+Cc1ccc(SCCC(=O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc(SCCC(=O)NCC2CCCO2)cc1,0,0.0,
+Cc1ccc(SCCC(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccc(SCCCCN2C(=O)NC(C)(C)C2=O)cc1,1,100.0,0.0
+Cc1ccc(SCCCn2cncn2)cc1,0,0.0,
+Cc1ccc(SCCN2C(=O)NC(C)(C)C2=O)cc1,0,0.0,
+Cc1ccc(SCCNC(=O)C(C)C)cc1,0,0.0,
+Cc1ccc(SCCNC(=O)C(CO)(CO)CO)cc1,0,0.0,
+Cc1ccc(SCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1,0,0.0,
+Cc1ccc(SCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1,0,0.0,
+Cc1ccc(SCCNS(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+Cc1ccc(SCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1,0,0.0,
+Cc1ccc(SCCNS(C)(=O)=O)cc1,0,0.0,
+Cc1ccc(SCc2[nH]nc3c2C(c2ccc(C)o2)C(C#N)=C(N)O3)cc1,0,0.0,
+Cc1ccc(SCc2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)cc1,0,0.0,
+Cc1ccc(SCc2[nH]nc3c2C(c2ccco2)C(C#N)=C(N)O3)cc1,0,0.0,
+Cc1ccc(SCc2[nH]nc3c2C2(C(=O)N(C)c4ccccc42)C(C#N)=C(N)O3)cc1,0,0.0,
+Cc1ccc(SCc2[nH]nc3c2C2(CCSCC2)C(C#N)=C(N)O3)cc1,0,0.0,
+Cc1ccc(SCc2c(C#N)c3ccccc3n2C)cc1,0,0.0,
+Cc1ccc(SCc2cc(=O)[nH]c(N3CCCCC3)n2)cc1,0,0.0,
+Cc1ccc(SCc2cc(=O)[nH]c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1,0,0.0,
+Cc1ccc(SCc2cc(=O)[nH]c(N3CCN(Cc4ccccc4)CC3)n2)cc1,0,0.0,
+Cc1ccc(SCc2cc(=O)[nH]c(N3CCOCC3)n2)cc1,0,0.0,
+Cc1ccc(SCc2cc(=O)n3[nH]c(C)nc3n2)cc1,0,0.0,
+Cc1ccc(SCc2cc(=O)n3[nH]cnc3n2)cc1,0,0.0,
+Cc1ccc(SCc2cn3c(C)csc3n2)cc1,0,0.0,
+Cc1ccc(SCc2nc(-c3ccccc3)no2)cc1,0,0.0,
+Cc1ccc(SCc2nc(-c3ccccn3)no2)cc1,0,0.0,
+Cc1ccc(SCc2nc(-c3cccnc3)no2)cc1,0,0.0,
+Cc1ccc(SCc2nnc(N)s2)cc1,0,0.0,
+Cc1ccc(Sc2c(C)[nH]n(C(C)(C)C)c2=O)cc1,0,0.0,
+Cc1ccc(Sc2oc(/C=N/n3cnnc3)cc2Br)cc1,0,0.0,
+Cc1ccc([C@@H]2C3COCC=C3C(C#N)=C(N)C2(C#N)C#N)o1,0,0.0,
+Cc1ccc2[nH]c(-c3cccc(N)c3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(-c3ccccc3)c(CN3CCN(C)CC3)c(=O)c2c1,0,0.0,
+Cc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(-c3nc4c(C)cccn4c3NCc3ccco3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(-c3nc4cc(C)ccn4c3NCc3ccco3)cc2c1,1,100.0,0.0
+Cc1ccc2[nH]c(=O)c(-c3noc(-c4ccncc4)n3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(-c3noc(C(C)C)n3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N(Cc3ccco3)CC3CCCO3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N(Cc3cccnc3)Cc3ccco3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCCc4ccccc43)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCOCC3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCc4ccccc4C3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCOCC3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccccn3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)c3ccco3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3cccc4nsnc34)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCC3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccc(F)cc3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CCO)C(=O)NCc3ccccc3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CCO)Cc3nnnn3CCc3ccccc3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)N3CCOCC3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3CC3CCCO3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C3CCCC3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3Cc3ccco3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)Cc3nnnn3C3CCCC3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)N3CCOCC3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)c3ccncc3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cccs3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccncc3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3Cc3ccccc3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CNC(C)(C)C)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(CNC(C)C)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(COC(=O)C3CCCO3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(COC(=O)c3ccccn3)cc2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c(N3CCOCC3)c(-c3ccccc3)c2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c3cc(C(=O)N(C)Cc4ccco4)sc3c2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3c2c1,0,0.0,
+Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCN4CCN(C)CC4)sc3c2c1,0,0.0,
+Cc1ccc2[nH]c(=S)cc(C)c2c1,0,0.0,
+Cc1ccc2[nH]c(C(=O)O)c(-c3ccccc3)c2c1,0,0.0,
+Cc1ccc2[nH]c(C(=O)O)c(NC(=O)CN3CCN(c4cccc(C)c4C)CC3)c2c1,0,0.0,
+Cc1ccc2[nH]c(C)c(CN(C)C3CCN(C)CC3)c(=O)c2c1,0,0.0,
+Cc1ccc2[nH]c(CCN(C)C)c(CC#N)c2c1,0,0.0,
+Cc1ccc2[nH]c3c(=O)n(CCCN4CCN(C)CC4)cnc3c2c1,0,0.0,
+Cc1ccc2[nH]c3c(=O)n(CCCN4CCOCC4)cnc3c2c1,0,0.0,
+Cc1ccc2[nH]c3c(=O)n(CCN4CCNCC4)cnc3c2c1,0,0.0,
+Cc1ccc2[nH]c3c(N4CCCCCC4)ncnc3c2c1,1,100.0,1.0
+Cc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1,0,0.0,
+Cc1ccc2[nH]c3c(N4CCN(Cc5ccccc5)CC4)ncnc3c2c1,0,0.0,
+Cc1ccc2[nH]c3c(N4CCOCC4)ncnc3c2c1,0,0.0,
+Cc1ccc2[nH]c3c(NCCCN4CCCC4=O)ncnc3c2c1,0,0.0,
+Cc1ccc2[nH]c3c(NCCN4CCOCC4)ncnc3c2c1,0,0.0,
+Cc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1,0,0.0,
+Cc1ccc2[nH]c3c(c2c1)CCC3=O,0,0.0,
+Cc1ccc2[nH]c3c(c2c1)CCCC3C(N)=O,0,0.0,
+Cc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3,0,0.0,
+Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CC(C)OC(C)C1)CC3,0,0.0,
+Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCCc2ccccc21)CC3,0,0.0,
+Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(Cc2ccc4c(c2)OCO4)CC1)CC3,0,0.0,
+Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2cccc(C)c2C)CC1)CC3,0,0.0,
+Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccc2)CC1)CC3,0,0.0,
+Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccc2F)CC1)CC3,0,0.0,
+Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccn2)CC1)CC3,0,0.0,
+Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCSCC1)CC3,1,100.0,0.0
+Cc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1,0,0.0,
+Cc1ccc2[nH]cc(C(=O)CN3CCC4(CC3)OCCO4)c2c1,0,0.0,
+Cc1ccc2[nH]cc(C(=O)CN3CCN(c4ccccn4)CC3)c2c1,0,0.0,
+Cc1ccc2c(=O)c(CN(C)C3CCN(C)CC3)c(C)[nH]c2c1C,0,0.0,
+Cc1ccc2c(C(=O)CN3CCCC3)c(C)[nH]c2c1,0,0.0,
+Cc1ccc2c(C(=O)CN3CCCCC3CCO)c(C)[nH]c2c1,0,0.0,
+Cc1ccc2c(C(=O)CN3CCN(c4ccccc4)CC3)c(C)[nH]c2c1,0,0.0,
+Cc1ccc2c(C(=O)CN3CCSCC3)c(C)[nH]c2c1,0,0.0,
+Cc1ccc2c(C)[nH]c(=O)cc2c1,0,0.0,
+Cc1ccc2c(C)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)oc2c1,0,0.0,
+Cc1ccc2c(C)c(C(=O)Nc3nnc(C)s3)oc2c1,0,0.0,
+Cc1ccc2c(C)nc(NC3=NCN(C(C)C)CN3)nc2c1,0,0.0,
+Cc1ccc2c(C)nc(NC3=NCN(CCc4ccccc4)CN3)nc2c1,1,100.0,
+Cc1ccc2c(C)nc(NC3=NCN(Cc4ccccc4)CN3)nc2c1,0,0.0,
+Cc1ccc2c(C)nc(Nc3nc(CSc4nnnn4-c4ccccc4)cc(=O)[nH]3)nc2c1,0,0.0,
+Cc1ccc2c(C)nc(Nc3ncc4c(n3)CCCC4=O)nc2c1,0,0.0,
+Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)N3CCc4ccccc43)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)NC3=NCCS3)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)NCC3COc4ccccc4O3)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)NCc3ccc4c(c3)OCO4)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)NCc3ccco3)coc2c1C,0,0.0,
+Cc1ccc2c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)Nc3ccc(N4CCN(C)CC4)cc3C)coc2c1,1,100.0,1.0
+Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)Nc3nc(C)cs3)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)Nc3sccc3C(N)=O)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)O)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)O)coc2c1C,0,0.0,
+Cc1ccc2c(CC(=O)OC(C)C(=O)NCc3ccc4c(c3)OCO4)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)OC3CCOC3=O)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)OCc3csc(C)n3)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)coc2c1,0,0.0,
+Cc1ccc2c(CC(=O)OCn3nnc4ccccc4c3=O)coc2c1,1,100.0,1.0
+Cc1ccc2c(CN3C(=O)NC(C)(c4ccc5c(c4)OCO5)C3=O)cc(=O)oc2c1,0,0.0,
+Cc1ccc2c(CN3C(=O)NC4(CCCCC4)C3=O)cc(=O)oc2c1C,0,0.0,
+Cc1ccc2c(CN3CCCc4ccccc43)cc(=O)oc2c1C,0,0.0,
+Cc1ccc2c(CN3CCN(CCO)CC3)cc(=O)oc2c1,0,0.0,
+Cc1ccc2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1C,1,100.0,1.0
+Cc1ccc2c(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc(=O)oc2c1C,0,0.0,
+Cc1ccc2c(CNCc3ccco3)cc(=O)oc2c1,0,0.0,
+Cc1ccc2c(COC(=O)C3=COCCO3)cc(=O)oc2c1,0,0.0,
+Cc1ccc2c(COC(=O)c3cnc(C)cn3)cc(=O)oc2c1,0,0.0,
+Cc1ccc2c(COC(=O)c3n[nH]c4ccccc34)cc(=O)oc2c1,0,0.0,
+Cc1ccc2c(COn3nnc4ccc(S(=O)(=O)N(C)C)cc43)cc(=O)oc2c1C,0,0.0,
+Cc1ccc2c(CSc3nc4ccccc4c(=O)n3CCCO)cc(=O)oc2c1,0,0.0,
+Cc1ccc2c(CSc3nnc(C4CC4)n3N)cc(=O)oc2c1,0,0.0,
+Cc1ccc2c(CSc3nnc(C4CC4)n3N)cc(=O)oc2c1C,0,0.0,
+Cc1ccc2c(CSc3nncs3)cc(=O)oc2c1,0,0.0,
+Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC(=O)NCc3ccco3)c2n1,0,0.0,
+Cc1ccc2c(Cl)cc(Cl)c(OCc3c(C)noc3C)c2n1,0,0.0,
+Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccccc4)o3)c2n1,0,0.0,
+Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccccc4Br)o3)c2n1,1,100.0,
+Cc1ccc2c(N)c(C)ccc2c1,0,0.0,
+Cc1ccc2c(NC(=O)C3CC3)c(C)ccc2n1,0,0.0,
+Cc1ccc2c(NC(=O)C3CC3)cccc2n1,0,0.0,
+Cc1ccc2c(SCC(=O)NCc3ccco3)nc(-c3ccc(F)cc3)nc2c1,0,0.0,
+Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCC#N)c1ccccc1)CO2,0,0.0,
+Cc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCCN(Cc3ccccc3F)C1)CO2,0,0.0,
+Cc1ccc2c(c1)-c1c(cnn1CC(=O)NC(C)CCc1ccco1)CO2,0,0.0,
+Cc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1ccccc1N1CCN(C)CC1)CO2,0,0.0,
+Cc1ccc2c(c1)-c1c(cnn1CC(=O)O)CO2,0,0.0,
+Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CSc1nncn1C,0,0.0,
+Cc1ccc2c(c1)-c1cc(C)nn1C(c1ccc3c(c1)OCO3)N2,0,0.0,
+Cc1ccc2c(c1)-c1cc(C)nn1C(c1sccc1C)N2,0,0.0,
+Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2,0,0.0,
+Cc1ccc2c(c1)C(C)(C)[C@]1(C)NC(=O)CCN21,0,0.0,
+Cc1ccc2c(c1)C(CCN)C(=O)N2Cc1ccccc1,0,0.0,
+Cc1ccc2c(c1)C(N1CCCC1=O)CC(c1ccco1)N2,0,0.0,
+Cc1ccc2c(c1)C(O)(CC(=O)c1ccc3c(c1)OCO3)C(=O)N2,0,0.0,
+Cc1ccc2c(c1)C(O)(CC(=O)c1cccnc1)C(=O)N2,0,0.0,
+Cc1ccc2c(c1)C(O)(c1c(C)[nH]c3ccccc13)C(=O)N2,0,0.0,
+Cc1ccc2c(c1)C(c1ccc(F)cc1)N(C(=O)C1CC1)CC(=O)N2,0,0.0,
+Cc1ccc2c(c1)C(c1ccccc1)N(C(=O)C(C)C)CC(=O)N2,0,0.0,
+Cc1ccc2c(c1)C(c1ccccc1)N(C(=O)c1ccc(Br)o1)CC(=O)N2,0,0.0,
+Cc1ccc2c(c1)C(c1ccccc1)NCC(=O)N2,0,0.0,
+Cc1ccc2c(c1)C1(C(=O)N2C)N2CC3(C)CN1CC(C)(C2)C3=O,0,0.0,
+Cc1ccc2c(c1)C1C=CCC1C(C(=O)O)N2,0,0.0,
+Cc1ccc2c(c1)C1CCCC3C1N2CC(=O)N3Cc1ccccc1,0,0.0,
+Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cc1cccs1,0,0.0,
+Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cn1nnc(-c2ccccc2F)n1,0,0.0,
+Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Nc1ccc(Cl)cc1,0,0.0,
+Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)c1ccc(Br)o1,0,0.0,
+Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)c1ccco1,0,0.0,
+Cc1ccc2c(c1)C1CN(C)CCC1N2CC(=O)N(C)c1ccccc1,0,0.0,
+Cc1ccc2c(c1)C1CN(C)CCC1N2S(=O)(=O)c1ccccc1,0,0.0,
+Cc1ccc2c(c1)C1OCCC1C1N2C(=O)C2C(C(=O)O)C3C=CC21O3,0,0.0,
+Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(C(C)C)C1=O,0,0.0,
+Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(CCC2=CCCCC2)C1=O,0,0.0,
+Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O,0,0.0,
+Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O,0,0.0,
+Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2cccc(C)c2C)C1=O,0,0.0,
+Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccccc2C)C1=O,0,0.0,
+Cc1ccc2c(c1)CC1(CN2C)C(=O)OC2(CCCCC2)OC1=O,0,0.0,
+Cc1ccc2c(c1)CCCN2C(=O)C1CCCO1,0,0.0,
+Cc1ccc2c(c1)CCCN2C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1ccc2c(c1)CCCN2C(=O)c1c(C)noc1C,0,0.0,
+Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)OCO2,0,0.0,
+Cc1ccc2c(c1)CCCN2C(=O)c1cccs1,0,0.0,
+Cc1ccc2c(c1)CCCN2C(=O)c1ccncc1,0,0.0,
+Cc1ccc2c(c1)CCCN2C(=O)c1ccoc1C,0,0.0,
+Cc1ccc2c(c1)CNc1ccccc1O2,0,0.0,
+Cc1ccc2c(c1)N(C(C)C(=O)NCCc1ccccc1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)N(Cc1ccc3c(c1)OCO3)CC1CCCO1)C(=O)C(C)O2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)N1CCCCC1c1cccnc1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)N1CCCCCC1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)N1CCCc3ccccc31)C(=O)C(C)O2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)N1CCCc3ccccc31)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)N1CCN(c3nc4ccccc4s3)CC1)C(=O)C(C)O2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)N1CCc3ccccc3C1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)NC1CCC(C)CC1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)NC1CCCCC1C)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)NC1CCCc3ccccc31)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)NCCc1c[nH]c3ccccc13)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)OCCO3)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)O)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)OC(CC(C)C)C(=O)NC1CCCC1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CC(=O)c1cccc(Cl)c1)C(=O)C(C)O2,0,0.0,
+Cc1ccc2c(c1)N(CCC(=O)N1CCC3(CC1)OCCO3)C(=O)C(C)O2,0,0.0,
+Cc1ccc2c(c1)N(CCC(=O)N1CCC3(CC1)OCCO3)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CCC(=O)NC1CC1)C(=O)C(C)O2,1,100.0,0.0
+Cc1ccc2c(c1)N(CCC(=O)NCC1CCCO1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CCC(=O)NCC1COc3ccccc3O1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CCC(=O)NCCCOC(C)C)C(=O)C(C)O2,0,0.0,
+Cc1ccc2c(c1)N(CCC(=O)NCCN1CCOCC1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CCC(=O)NCc1ccc3c(c1)OCO3)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CCC(=O)NCc1ccccn1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CCC(=O)NCc1cccnc1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CCC(=O)NCc1ccco1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CCCC(=O)NCC1COc3ccccc3O1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CCCC(=O)NCCC1=CCCCC1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CCCC(=O)NCCCN1CCCC1=O)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CCCC(=O)NCc1ccc3c(c1)OCO3)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(CCCC(=O)NCc1cccnc1)C(=O)CO2,0,0.0,
+Cc1ccc2c(c1)N(Cc1ccc3c(c1)OCO3)C(=O)C(C)O2,0,0.0,
+Cc1ccc2c(c1)N(Cc1ccccn1)C(=O)C(C)O2,0,0.0,
+Cc1ccc2c(c1)N(Cc1ccncc1)C(=O)C(C)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)N(C)Cc1ccccc1)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NC1CCCCC1C)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCCC1)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCCC1=O)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCCCC1)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCCCC1C)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCN(C3CCCCC3)CC1)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCN(c3cc(C)ccc3C)CC1)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCN(c3cc(Cl)ccc3C)CC1)O2,1,100.0,1.0
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCc3ccccc3C1)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCN(C)C)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCN(CC(C)C)CC(C)C)O2,1,100.0,1.0
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCc1ccc(F)cc1)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)NCc1cccnc1)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(CC(=O)Nc1ccc(CN3CCC(C)CC3)cc1)O2,1,100.0,1.0
+Cc1ccc2c(c1)NC(=O)C(CC(=O)O)O2,0,0.0,
+Cc1ccc2c(c1)NC(=O)C(N1CCOCC1)(C(F)(F)F)O2,0,0.0,
+Cc1ccc2c(c1)NCC(C(=O)NC1CCC(C)CC1)O2,0,0.0,
+Cc1ccc2c(c1)NCC(C(=O)NC1CCCCC1)O2,0,0.0,
+Cc1ccc2c(c1)NCC(C(=O)NCc1ccccc1)O2,0,0.0,
+Cc1ccc2c(c1)NCCO2,0,0.0,
+Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)cc1,0,0.0,
+Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccncc1)N2,0,0.0,
+Cc1ccc2c(c1)[nH]c1c(=O)n(CCCN3CCOCC3)cnc12,0,0.0,
+Cc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCCCC3)cnc12,0,0.0,
+Cc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCNCC3)cnc12,0,0.0,
+Cc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccccn3)cnc12,0,0.0,
+Cc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12,0,0.0,
+Cc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccccc4)CC3)ncnc12,1,100.0,
+Cc1ccc2c(c1)c(-c1ccccc1)nc1nncn12,0,0.0,
+Cc1ccc2c(c1)c(C)c(C)n2CC(O)CN1CCCCC1C,0,0.0,
+Cc1ccc2c(c1)c(C)c(C)n2CC(O)CN1CCOCC1,0,0.0,
+Cc1ccc2c(c1)c(C)c(C)n2CC(O)Cn1nc(C)c(Br)c1C,0,0.0,
+Cc1ccc2c(c1)c(C)c(C)n2CC(O)Cn1nc(C)cc1C,0,0.0,
+Cc1ccc2c(c1)c(C)c(C)n2CC(O)Cn1nnc2ccccc21,0,0.0,
+Cc1ccc2c(c1)c(C)cc(=O)n2CCC(=O)O,0,0.0,
+Cc1ccc2c(c1)c1c(n2C)C(C(N)=O)CCC1,0,0.0,
+Cc1ccc2c(c1)c1c(n2CC(O)CN2C(=O)CNC2=O)C(=O)CCC1,0,0.0,
+Cc1ccc2c(c1)c1c(n2CC(O)CNC(CO)(CO)CO)CCCC1,0,0.0,
+Cc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)/C(=N\O)CCC1,0,0.0,
+Cc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)C(=O)CCC1,0,0.0,
+Cc1ccc2c(c1)c1c(n2CC(O)Cn2nc(C)c(Br)c2C)C(=O)CCC1,0,0.0,
+Cc1ccc2c(c1)c1c(n2CC2COC(C)(C)O2)C(=O)CCC1,0,0.0,
+Cc1ccc2c(c1)c1c3n2CC(=C2C(=O)OC(C)(C)OC2=O)NC3CCC1,0,0.0,
+Cc1ccc2c(c1)c1c3n2CCCNC3CCC1,0,0.0,
+Cc1ccc2c(c1)c1c3n2CCN(C(=O)C2CC2)C3CCC1,0,0.0,
+Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCN(C)CC2)C3CCC1,0,0.0,
+Cc1ccc2c(c1)c1c3n2CCN(C(=O)Cn2c(-c4ccccc4)noc2=O)C3CCC1,0,0.0,
+Cc1ccc2c(c1)c1c3n2CCN=C3CCC1,0,0.0,
+Cc1ccc2c(c1)c1cccc3c1n2CCN3CCC(N)=O,0,0.0,
+Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCOCC1,0,0.0,
+Cc1ccc2c(c1)c1ncn(CCC3=CCCCC3)c(=O)c1n2C,0,0.0,
+Cc1ccc2c(c1)c1ncnc(N3CCC4(CC3)OCCO4)c1n2C,0,0.0,
+Cc1ccc2c(c1)c1ncnc(N3CCN(c4ccccc4)CC3)c1n2C,0,0.0,
+Cc1ccc2c(c1)c1ncnc(N3CCOCC3)c1n2C,0,0.0,
+Cc1ccc2c(c1)c1ncnc(N3CCc4ccccc4C3)c1n2C,0,0.0,
+Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)NCc3ccco3)n12,0,0.0,
+Cc1ccc2c(c1)cc(CN(CCc1ccccc1)C(=O)N1CCOCC1)c1nnnn12,0,0.0,
+Cc1ccc2c(c1)cc(CN(Cc1ccc3c(c1)OCO3)C(=O)c1cnccn1)c1nnnn12,0,0.0,
+Cc1ccc2c(c1)cc(CN(Cc1ccc3c(c1)OCO3)S(=O)(=O)c1ccccc1)c1nnnn12,0,0.0,
+Cc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)N(C)C)c1nnnn12,0,0.0,
+Cc1ccc2c(c1)cc(CN(Cc1ccco1)C(=O)COc1ccccc1)c1nnnn12,0,0.0,
+Cc1ccc2c(c1)cc(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)c1nnnn12,0,0.0,
+Cc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)c1ccco1)c1nnnn12,0,0.0,
+Cc1ccc2c(c1)n(S(=O)(=O)c1cccs1)c(=O)n2S(=O)(=O)c1cccs1,0,0.0,
+Cc1ccc2c(c1)n(S(=O)(=O)c1cccs1)c(=O)n2S(=O)(=O)c1ccsc1,0,0.0,
+Cc1ccc2c(c1)nc(NCCO)n2C,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(C(=O)C2CCCCC2)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(CC(=O)N2c3ccccc3CC2C)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(CC(=O)NCCc2ccccc2)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cc(C)on2)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccccc2N2CCOCC2)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N3CC(C)CC(C)C3)cc2)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCCC3)cc2)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1,0,0.0,
+Cc1ccc2c(c1)nnn2C1CCN(S(C)(=O)=O)CC1,0,0.0,
+Cc1ccc2c(c1)sc1ncc(NC(=O)c3ccccc3)c(=O)n12,0,0.0,
+Cc1ccc2c(c1C)NC(=O)C2(O)CC(=O)c1ccc2c(c1)OCO2,0,0.0,
+Cc1ccc2c(c1C)NC(C(=O)O)C1CC=CC21,0,0.0,
+Cc1ccc2c(c1C)NC(C)CC2C,0,0.0,
+Cc1ccc2c(n1)sc1c(N)ncnc12,0,0.0,
+Cc1ccc2c(nc3s/c(=C/c4cccs4)c(=O)n32)c1C,0,0.0,
+Cc1ccc2c3c(c(SCC(=O)Nc4nonc4C)nc2c1)CCCC3,0,0.0,
+Cc1ccc2c3c1C1(C(=O)N3C(C)(C)CC2C)C(C#N)=C(N)Oc2cc(O)ccc21,0,0.0,
+Cc1ccc2cc(-c3noc(C(C)(C)C)n3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(-c3noc(C4CCCCC4)n3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(-c3noc(C4CCCO4)n3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(C#N)c(N3CCCC3)nc2c1C,0,0.0,
+Cc1ccc2cc(C#N)c(N3CCCN(C(=O)C4CCCO4)CC3)nc2c1,0,0.0,
+Cc1ccc2cc(C#N)c(N3CCCN(C(=O)C4CCCO4)CC3)nc2c1C,0,0.0,
+Cc1ccc2cc(C#N)c(N3CCCN(S(=O)(=O)c4ccccc4)CC3)nc2c1,0,0.0,
+Cc1ccc2cc(C#N)c(NCCCNC(=O)C3CCCO3)nc2c1,0,0.0,
+Cc1ccc2cc(C#N)c(NCCNC(=O)C3CC3)nc2c1C,0,0.0,
+Cc1ccc2cc(C#N)c(NCCNC(=O)C3CCC3)nc2c1C,0,0.0,
+Cc1ccc2cc(C#N)c(NCc3ccco3)nc2c1,0,0.0,
+Cc1ccc2cc(C#N)c(SCC(=O)NCC3CCCO3)nc2c1,0,0.0,
+Cc1ccc2cc(C#N)c(SCC(=O)NCC3CCCO3)nc2c1C,0,0.0,
+Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1,0,0.0,
+Cc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCCC3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCCCCC3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(C(c3nnnn3C3CCCC3)N(Cc3ccccc3)Cc3ccco3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(C(c3nnnn3C3CCCC3)N(Cc3cccnc3)Cc3ccco3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(C(c3nnnn3C3CCCC3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(C(c3nnnn3C3CCCC3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(C(c3nnnn3C3CCCC3)N3CCOCC3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(C(c3nnnn3CC3CCCO3)N3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(C(c3nnnn3CC3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(C)c(N3CCN(c4ccccn4)CC3)nc2c1,0,0.0,
+Cc1ccc2cc(C)c(NCCO)nc2c1,0,0.0,
+Cc1ccc2cc(C)c(SCC#N)nc2c1,0,0.0,
+Cc1ccc2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2c1,0,0.0,
+Cc1ccc2cc(CCNC(=O)C(C)(C)C)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CCNC(=O)C(C)C)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CCNC(=O)C(C)C)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CCNC(=O)C3CCCC3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CCNC(=O)CC(C)(C)C)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CCNC(=O)CC(C)C)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CCNC(=O)c3ccc(Br)o3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CCNC(=O)c3ccco3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CCNC(=O)c3ccco3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CCNS(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(C(=O)C3CCCO3)C3CCCCC3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(C(=O)c3cccnc3)C(C)C)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(C(=O)c3ccco3)c3ccccc3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(C(=O)c3ccco3)c3ccccc3C)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(C(=O)c3ccncc3)C(C)C)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(C)C(=O)C3CCCO3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(CC(C)C)C(=O)C3CCCO3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(CC3CCCO3)C(=O)C(C)C)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(CC3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(CC3CCCO3)C(=O)c3ccco3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(CC3CCCO3)S(=O)(=O)c3c(C)ccc4nsnc34)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(CC3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(CC3CCCO3)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(CCCN(C)C)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(CCN3CCCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(CCN3CCOCC3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(CCN3CCOCC3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(CCO)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(Cc3ccc(F)cc3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(Cc3ccccc3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(Cc3ccco3)C(=O)C3CCCCC3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccccc3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3c(C)ccc4nsnc34)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(Cc3cccs3)C(=O)c3ccco3)c3nnnn3c2c1C,0,0.0,
+Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)c3nnnn3c2c1,0,0.0,
+Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CN(Cc3nnnn3Cc3ccco3)CC3CCCO3)c(=O)[nH]c2c1C,0,0.0,
+Cc1ccc2cc(CNC(C)(C)C)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(CNC(C)C)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(COC(=O)c3ccncc3)c(=O)[nH]c2c1,0,0.0,
+Cc1ccc2cc(S(=O)(=O)NCCCC(=O)O)ccc2c1,0,0.0,
+Cc1ccc2cc3c(N)c(C(=O)N4CCOCC4)sc3nc2c1,0,0.0,
+Cc1ccc2cc3c(NC(=O)C(C)C)nn(C)c3nc2c1,0,0.0,
+Cc1ccc2cc3c(NC(=O)CC(C)C)nn(C)c3nc2c1,0,0.0,
+Cc1ccc2cc3c(NC(=O)c4cccnc4)nn(C)c3nc2c1,0,0.0,
+Cc1ccc2cc3c(NC(=O)c4ccco4)nn(C)c3nc2c1,0,0.0,
+Cc1ccc2cc3c(NC(=O)c4ccco4)nn(CC(C)C)c3nc2c1,0,0.0,
+Cc1ccc2cc3c(nc2c1)N(Cc1ccco1)CC3,1,100.0,1.0
+Cc1ccc2cc3cc(C(=O)N(C)C4CCCCC4)oc3nc2c1,0,0.0,
+Cc1ccc2cc3cc(C(=O)N(C)c4ccccc4)oc3nc2c1,0,0.0,
+Cc1ccc2cc3cc(C(=O)N4CC(C)CC(C)C4)oc3nc2c1,0,0.0,
+Cc1ccc2cc3cc(C(=O)N4CCC5(CC4)OCCO5)oc3nc2c1,0,0.0,
+Cc1ccc2cc3cc(C(=O)N4CCCCC4C)oc3nc2c1,0,0.0,
+Cc1ccc2cc3cc(C(=O)N4CCCCCC4)oc3nc2c1,0,0.0,
+Cc1ccc2cc3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3nc2c1,0,0.0,
+Cc1ccc2cc3cc(C(=O)NCCC(C)C)oc3nc2c1,0,0.0,
+Cc1ccc2cc3cc(C(=O)NCCCN4CCCCCC4)oc3nc2c1,0,0.0,
+Cc1ccc2cc3cc(C(=O)NCCCN4CCc5ccccc5C4)oc3nc2c1,1,100.0,0.0
+Cc1ccc2cc3cc(C(=O)NCCN4CCOCC4)oc3nc2c1,0,0.0,
+Cc1ccc2cc3cc(C(=O)NCc4ccc5c(c4)OCO5)oc3nc2c1,0,0.0,
+Cc1ccc2cc3cc(C(=O)NCc4ccco4)oc3nc2c1,0,0.0,
+Cc1ccc2ccc(S(=O)(=O)n3nc(C)cc3C)cc2c1,1,100.0,1.0
+Cc1ccc2cccc(NC(=O)C(F)(F)F)c2n1,0,0.0,
+Cc1ccc2cccc(NC(=O)c3ccc(Br)o3)c2n1,0,0.0,
+Cc1ccc2cccc(O)c2[n+]1[O-],0,0.0,
+Cc1ccc2cccc(OC(=O)N(C)c3ccccc3)c2n1,0,0.0,
+Cc1ccc2cccc(OC(=O)N3CCCC3)c2n1,0,0.0,
+Cc1ccc2cccc(OC(=O)c3ccc4c(c3)OCCO4)c2n1,0,0.0,
+Cc1ccc2cccc(OCC(=O)NCc3ccco3)c2n1,0,0.0,
+Cc1ccc2cccc(Oc3cnccn3)c2n1,0,0.0,
+Cc1ccc2cccc(Oc3nnnn3-c3ccccc3)c2n1,0,0.0,
+Cc1ccc2cccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2n1,0,0.0,
+Cc1ccc2cccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2n1,0,0.0,
+Cc1ccc2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2n1,0,0.0,
+Cc1ccc2cccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2n1,0,0.0,
+Cc1ccc2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2n1,0,0.0,
+Cc1ccc2cccc(S(=O)(=O)n3nc(C)cc3C)c2n1,0,0.0,
+Cc1ccc2cccc(SCC(=O)N3CCOCC3)c2n1,0,0.0,
+Cc1ccc2cccc(SCC(=O)NCc3ccco3)c2n1,0,0.0,
+Cc1ccc2ccccc2c1COC(=O)c1nonc1N,0,0.0,
+Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1,0,0.0,
+Cc1ccc2nc(-c3ccc(NC(=O)c4ccco4)cc3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2c1,0,0.0,
+Cc1ccc2nc(-c3ccc(SCC(=O)Nc4cc(C)on4)nc3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(-c3ccc(SCC(=O)O)nc3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(-c3ccc4c(c3)OCCO4)cc(C(=O)O)c2c1,0,0.0,
+Cc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5o4)n3)oc2c1,0,0.0,
+Cc1ccc2nc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3)oc2c1,0,0.0,
+Cc1ccc2nc(-c3cccc(NC(=O)c4ccco4)c3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(-c3cccc(S(=O)(=O)N(C)C)c3)cn2c1,0,0.0,
+Cc1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1,0,0.0,
+Cc1ccc2nc(-c3ccccc3)cn2c1,0,0.0,
+Cc1ccc2nc(-c3ccccc3Cl)cc(C(=O)Nc3cc(C)on3)c2c1,0,0.0,
+Cc1ccc2nc(-c3ccccn3)cc(C(=O)N3CCN(c4ncccn4)CC3)c2c1,0,0.0,
+Cc1ccc2nc(-c3ccccn3)cc(C(=O)NC3CCN(C)CC3)c2c1,0,0.0,
+Cc1ccc2nc(-c3ccccn3)oc2c1,0,0.0,
+Cc1ccc2nc(-c3cccnc3)oc2c1,0,0.0,
+Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCC4(CC3)OCCO4)c2c1,0,0.0,
+Cc1ccc2nc(/C(C#N)=N/O)[nH]c2c1,0,0.0,
+Cc1ccc2nc(C(F)(F)F)c(C#N)c(N)c2c1,0,0.0,
+Cc1ccc2nc(C(F)OC(F)(F)F)[nH]c2c1,0,0.0,
+Cc1ccc2nc(C(O)C(O)c3nc4ccc(C)cc4[nH]3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(C)c(C)nc2c1N,0,0.0,
+Cc1ccc2nc(C)cc(NCCO)c2c1,0,0.0,
+Cc1ccc2nc(C)cc(OCC(=O)O)c2c1,0,0.0,
+Cc1ccc2nc(C3CCCN(C(=O)NCc4ccccc4)C3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(C3CCN(C(=O)NCc4ccccc4)CC3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(C3CCN(C(=O)c4ccco4)CC3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(C3CCN(CC(=O)N4CCCCCC4)CC3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(C3CCN(CC(=O)Nc4ccc5c(c4)OCCO5)CC3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(CCc3nc4ccc(C)cc4o3)oc2c1,0,0.0,
+Cc1ccc2nc(CSc3nnc(-c4ccco4)n3-c3ccccc3)cc(=O)n2c1,0,0.0,
+Cc1ccc2nc(CSc3nnc(-c4ccco4)o3)cc(=O)n2c1,0,0.0,
+Cc1ccc2nc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)cc(=O)n2c1,0,0.0,
+Cc1ccc2nc(Cc3ccc(N)cc3)oc2c1,0,0.0,
+Cc1ccc2nc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)sc2c1,1,100.0,1.0
+Cc1ccc2nc(N3CCC(C(=O)O)CC3)nc(-c3ccccc3)c2c1,0,0.0,
+Cc1ccc2nc(N3CCN(C(=O)c4cccs4)CC3)c(C#N)cc2c1,1,100.0,0.0
+Cc1ccc2nc(N3CCN(C)CC3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(N3CCN(C)CC3)c(C#N)cc2c1,0,0.0,
+Cc1ccc2nc(N3CCN(Cc4ccc(F)cc4)C3=O)c(C)cc2c1,0,0.0,
+Cc1ccc2nc(N3CCN(Cc4nnnn4Cc4ccccc4)CC3)c(C#N)cc2c1,0,0.0,
+Cc1ccc2nc(N3CCOCC3)c3nncn3c2c1,0,0.0,
+Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nonc45)C3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nsnc45)C3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccnc4)C3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(Br)s3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3cccs3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(Br)s3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3cccc4nsnc34)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)CN3CCOCC3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)CNS(=O)(=O)c3ccc(Br)s3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)COC(=O)c3ccco3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3C)SC(C)C4)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)Cn3cc4c(n3)CCCCC4)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)c3ccc(Cn4cc(Cl)cn4)o3)sc2c1,0,0.0,
+Cc1ccc2nc(NC(=O)c3cccs3)sc2c1,0,0.0,
+Cc1ccc2nc(NC3=NCN(C4CCCCC4)CN3)nc(C)c2c1,0,0.0,
+Cc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1,1,100.0,1.0
+Cc1ccc2nc(NC3=NCN(CCc4ccccc4)CN3)nc(C)c2c1,1,100.0,
+Cc1ccc2nc(NC3=NCN(Cc4ccc5c(c4)OCO5)CN3)nc(C)c2c1,1,100.0,1.0
+Cc1ccc2nc(NC3=NCN(Cc4ccccc4)CN3)nc(C)c2c1,0,0.0,
+Cc1ccc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2c1,0,0.0,
+Cc1ccc2nc(NC3=NCN(Cc4ccco4)CN3)nc(C)c2c1,1,100.0,0.0
+Cc1ccc2nc(NCCCN3CCOCC3)c(C=NCCCN3CCOCC3)c(=O)n2c1,0,0.0,
+Cc1ccc2nc(NCCCNC(=O)c3cnccn3)c(C#N)cc2c1,0,0.0,
+Cc1ccc2nc(NCCO)nc(-c3ccccc3)c2c1,0,0.0,
+Cc1ccc2nc(NCc3ccccc3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(NCc3ccco3)c(C=NCc3ccco3)c(=O)n2c1,0,0.0,
+Cc1ccc2nc(Nc3ccc4[nH]c(=O)[nH]c4c3)c(-n3nc(C)cc3C)nc2c1,0,0.0,
+Cc1ccc2nc(Nc3ccccc3)c(/C=N/O)c(=O)n2c1,0,0.0,
+Cc1ccc2nc(Nc3nc(=O)c4ccccc4n3C)nc(C)c2c1,0,0.0,
+Cc1ccc2nc(Nc3nc(C)cc(C(F)(F)F)n3)nc(C)c2c1,0,0.0,
+Cc1ccc2nc(Nc3ncc4c(n3)CCCC4=O)nc(C)c2c1,1,100.0,
+Cc1ccc2nc(S(=O)(=O)O)[nH]c2c1,0,0.0,
+Cc1ccc2nc(SC(C)C(=O)N3CCCC3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(SCC(=O)N3CCCC3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(SCC(=O)NCC3CCCO3)c(C#N)cc2c1,0,0.0,
+Cc1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1,0,0.0,
+Cc1ccc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]c2c1,0,0.0,
+Cc1ccc2nc(SCC(=O)Nc3cc(C)on3)[nH]c2c1,0,0.0,
+Cc1ccc2nc(SCC(=O)O)nc(C)c2c1,0,0.0,
+Cc1ccc2nc(SCCC#N)nc(C)c2c1,0,0.0,
+Cc1ccc2nc(SCc3nnc(-c4cccs4)o3)[nH]c2c1,0,0.0,
+Cc1ccc2nc3c(c(C(=O)O)c2c1)CCC3,0,0.0,
+Cc1ccc2nc3c(c(N)c2c1)CCN3c1ccccc1,0,0.0,
+Cc1ccc2nc3c(cc(C#N)c(=N)n3CC3CCCO3)c(=O)n2c1,0,0.0,
+Cc1ccc2nc3c(cc(C#N)c(=O)n3CC3CCCO3)c(=O)n2c1,0,0.0,
+Cc1ccc2nc3c(cc(C(=O)NCC4CCCO4)c(=N)n3CCCOC(C)C)c(=O)n2c1,0,0.0,
+Cc1ccc2nc3c(cc(C(=O)NCC4CCCO4)n3C)c(=O)n2c1,0,0.0,
+Cc1ccc2nc3c(cc(C(=O)NCCCn4ccnc4)n3C)c(=O)n2c1,0,0.0,
+Cc1ccc2nc3c(cc(C(=O)NCc4ccccc4)c(=N)n3CCCn3ccnc3)c(=O)n2c1,1,100.0,0.0
+Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3C(C)C)c(=O)n2c1,0,0.0,
+Cc1ccc2nc3c(cc(C(N)=S)c(=N)n3CCCOC(C)C)c(=O)n2c1,0,0.0,
+Cc1ccc2nc3c(cc2c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)C1CCCCN31,0,0.0,
+Cc1ccc2nc3c(cc2c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)C1COCCN31,0,0.0,
+Cc1ccc2nc3c(cc2c1)CN(Cc1ccco1)C(=NCC1CCCO1)S3,0,0.0,
+Cc1ccc2nc3c(cc2c1)c(NC(=O)c1cccnc1)nn3C,0,0.0,
+Cc1ccc2nc3ccc(N4CCCC4)nn3c(=O)c2c1,0,0.0,
+Cc1ccc2nc3ccc(N4CCN(C)CC4)nn3c(=O)c2c1,0,0.0,
+Cc1ccc2nc3n(c(=O)c2c1)CCC3,0,0.0,
+Cc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1,0,0.0,
+Cc1ccc2ncccc2c1NS(=O)(=O)c1ccccc1,0,0.0,
+Cc1ccc2ncnc(NCCCN3CCOCC3)c2c1,0,0.0,
+Cc1ccc2nnc(Cl)n2n1,0,0.0,
+Cc1ccc2nsnc2c1-n1c(C)nc2ccccc2c1=O,0,0.0,
+Cc1ccc2nsnc2c1N(S(C)(=O)=O)S(C)(=O)=O,0,0.0,
+Cc1ccc2nsnc2c1NS(=O)(=O)c1c(C)ccc2nsnc12,0,0.0,
+Cc1ccc2nsnc2c1S(=O)(=O)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,0,0.0,
+Cc1ccc2nsnc2c1S(=O)(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)CC1CCCO1,1,100.0,
+Cc1ccc2nsnc2c1S(=O)(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O,0,0.0,
+Cc1ccc2nsnc2c1S(=O)(=O)N1CCCC1,0,0.0,
+Cc1ccc2nsnc2c1S(=O)(=O)N1CCN(C(=O)C2CCCO2)CC1,0,0.0,
+Cc1ccc2nsnc2c1S(=O)(=O)N1CCN(CCc2ccccc2)CC1,0,0.0,
+Cc1ccc2nsnc2c1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+Cc1ccc2nsnc2c1S(=O)(=O)N1CCN=C1Cc1ccccc1,0,0.0,
+Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccncc1,0,0.0,
+Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc2nsnc12,0,0.0,
+Cc1ccc2oc(-c3ccc(NC(=O)CC(C)C)cc3)nc2c1,0,0.0,
+Cc1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1,0,0.0,
+Cc1ccc2oc(-c3ccc(NC(=O)c4cccnc4)cc3)nc2c1,0,0.0,
+Cc1ccc2oc(-c3cccc(NC(=O)C4CCCO4)c3)nc2c1,0,0.0,
+Cc1ccc2oc(-c3ccccc3C(=O)O)cc(=O)c2c1,0,0.0,
+Cc1ccc2oc(-c3ccco3)nc2c1,0,0.0,
+Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(c5ncccn5)CC4)sc3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cc(C(=O)NCCN4CCN(C)CC4)sc3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cc(C(=O)NCc4ccco4)sc3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)N(CCC(C)C)Cc4ccco4)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)N(CCCN4CCOCC4)Cc4ccco4)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCCC4C)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCCCC4)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCc5ccccc54)c3c2c1,1,100.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCN(c5ccccn5)CC4)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCc5ccccc5C4)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)NC4CCC(C)CC4)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)NC4CCCCC4C)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)NC4CCN(Cc5ccccc5)CC4)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC(C)C)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)NCCCOC(C)C)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)NCCN(C)C)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)NCCN4CCOCC4)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)NCCc4ccsc4)c3c2c1,0,0.0,
+Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4ccccc4N4CCN(C)CC4)c3c2c1,1,100.0,1.0
+Cc1ccc2oc(=O)cc(CN3CCC(C)CC3)c2c1,0,0.0,
+Cc1ccc2oc(=O)cc(CN3CCOCC3)c2c1,0,0.0,
+Cc1ccc2oc(=O)n(CC(=O)O)c2c1,0,0.0,
+Cc1ccc2oc(=O)n(CCCOc3ccccc3)c2c1,0,0.0,
+Cc1ccc2oc(=O)n(CCOc3ccccc3Cl)c2c1,0,0.0,
+Cc1ccc2oc(=O)n(Cc3ccccc3OC(C)C)c2c1,0,0.0,
+Cc1ccc2oc(C(=O)NCc3ccc4c(c3)OCO4)c(C)c2c1,0,0.0,
+Cc1ccc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c2c1,0,0.0,
+Cc1ccc2oc(NC(=O)N3CCOCC3)cc(=O)c2c1,0,0.0,
+Cc1ccc2oc(Nc3nc(C)cc(C)n3)nc2c1,0,0.0,
+Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(F)cc1)N(CCCN1CCOCC1)C3=O,0,0.0,
+Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Br)c1)N(Cc1ccco1)C3=O,0,0.0,
+Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Cl)c1)N(CCCN1CCOCC1)C3=O,0,0.0,
+Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(O)c1)N(c1ccccn1)C3=O,0,0.0,
+Cc1ccc2oc3c(c(=O)c2c1)C(c1cccs1)N(CCCN(C)C)C3=O,0,0.0,
+Cc1ccc2occ(C(=O)c3ccco3)c(=O)c2c1,0,0.0,
+Cc1ccc2occ(C(c3nnnn3C3CCCC3)N3CCN(C(=O)c4ccco4)CC3)c(=O)c2c1,0,0.0,
+Cc1ccc2occ(C(c3nnnn3C3CCCC3)N3CCOCC3)c(=O)c2c1,0,0.0,
+Cc1ccc2occ(C(c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)c2c1,0,0.0,
+Cc1ccc2occ(CN3CC4CC(C3)c3cccc(=O)n3C4)c(=O)c2c1,0,0.0,
+Cc1ccc2occ(CN3CCN(c4ccccc4)CC3)c(=O)c2c1,1,100.0,1.0
+Cc1ccc2sc(NC(=O)CN3C(=O)CCC3=O)nc2c1C,0,0.0,
+Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(C)cc(C)nn23)c1,0,0.0,
+Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3cccnn23)c1,0,0.0,
+Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3nnc4ccccc4n23)c1,0,0.0,
+Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(O)cc2)c1,0,0.0,
+Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2O)c1,0,0.0,
+Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C(C)(C)C)c1,0,0.0,
+Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C(C)C)c1,0,0.0,
+Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CC2CCCO2)c1,0,0.0,
+Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCO)c1,0,0.0,
+Cc1cccc(-c2cc3nc(C)cc(NCCCN(C)C)n3n2)c1,0,0.0,
+Cc1cccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCCC4)c1,0,0.0,
+Cc1cccc(-c2cc3nc4c(c(N5CCCC(O)C5)n3n2)CCC4)c1,0,0.0,
+Cc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1,0,0.0,
+Cc1cccc(-c2ccc(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)c1,0,0.0,
+Cc1cccc(-c2nc(C#N)c(N3CCCCCC3)o2)c1,0,0.0,
+Cc1cccc(-c2nc(C#N)c(NC3CCCCC3)o2)c1,0,0.0,
+Cc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCC(C)CC4)C3)c(C)o2)c1,0,0.0,
+Cc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCCC4)C3)c(C)o2)c1,0,0.0,
+Cc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCCCC4)C3)c(C)o2)c1,0,0.0,
+Cc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCCCCC4)C3)c(C)o2)c1,0,0.0,
+Cc1cccc(-c2nc(C[S+]([O-])CC(=O)N3CCCCC3)c(C)o2)c1,0,0.0,
+Cc1cccc(-c2nc(C[S+]([O-])CC(=O)N3CCN(C)CC3)c(C)o2)c1,0,0.0,
+Cc1cccc(-c2nc(C[S+]([O-])CC(=O)N3CCc4ccccc4C3)c(C)o2)c1,0,0.0,
+Cc1cccc(-c2nc(C[S+]([O-])CC(=O)NC3CCCC3)c(C)o2)c1,0,0.0,
+Cc1cccc(-c2nc(C[S+]([O-])CC(=O)NCC3CCCO3)c(C)o2)c1,0,0.0,
+Cc1cccc(-c2nc(C[S+]([O-])CC(=O)NCCCSC3CCCCC3)c(C)o2)c1,0,0.0,
+Cc1cccc(-c2nc(CSCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)o2)c1,1,100.0,
+Cc1cccc(-c2nc(CSCC(=O)N3CCN(c4ccccn4)CC3)c(C)o2)c1,1,100.0,
+Cc1cccc(-c2nc(CSCC(=O)NCCCN3CCOCC3)c(C)o2)c1,0,0.0,
+Cc1cccc(-c2nc3ccccc3c(=O)n2-n2cccc2)c1,0,0.0,
+Cc1cccc(-c2nc3ccccc3c3nncn23)c1,0,0.0,
+Cc1cccc(-c2nnc(-c3ccc(N)cc3)o2)c1,0,0.0,
+Cc1cccc(-c2nnc(-c3ccccc3)o2)c1,0,0.0,
+Cc1cccc(-c2nnc(N)s2)c1,0,0.0,
+Cc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c1,0,0.0,
+Cc1cccc(-c2nnc(SCC#N)n2-c2cccc(Cl)c2)c1,0,0.0,
+Cc1cccc(-c2nnc(SCC#N)n2-c2ccccc2)c1,0,0.0,
+Cc1cccc(-c2nnc(SCC#N)n2Cc2ccccc2)c1,0,0.0,
+Cc1cccc(-c2nnc(SCC(=O)Nc3ccnn3C(C)C)n2C)c1,0,0.0,
+Cc1cccc(-c2nnc(SCc3cc(=O)[nH]c4ccccc34)n2C)c1,0,0.0,
+Cc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1,0,0.0,
+Cc1cccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)c1,0,0.0,
+Cc1cccc(-c2nnc3n2N=C(c2ccccc2)CS3)c1,0,0.0,
+Cc1cccc(-c2nnc3n2N=C(c2ccccc2Br)CS3)c1,0,0.0,
+Cc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1,0,0.0,
+Cc1cccc(-c2nnc3sc(-c4ccccc4C)nn23)c1,0,0.0,
+Cc1cccc(-c2nnn(CC/C(N)=N/O)n2)c1,0,0.0,
+Cc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1,0,0.0,
+Cc1cccc(-c2noc(-c3ccccc3C(=O)NCC3CCCO3)n2)c1,0,0.0,
+Cc1cccc(-c2noc(C3CCCCC3)n2)c1,0,0.0,
+Cc1cccc(-c2noc(CCC(=O)NCc3ccccc3)n2)c1,0,0.0,
+Cc1cccc(-c2noc(CCC(=O)Nc3ccccc3)n2)c1,0,0.0,
+Cc1cccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)c1,0,0.0,
+Cc1cccc(-c2noc(CCc3ccccc3)n2)c1,0,0.0,
+Cc1cccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)c1,0,0.0,
+Cc1cccc(-c2noc(CN(C(=O)CCc3ccccc3)C(C)C)n2)c1,0,0.0,
+Cc1cccc(-c2noc(CN(C(=O)c3c(-c4ccccc4Cl)noc3C)C(C)C)n2)c1,0,0.0,
+Cc1cccc(-c2noc(CN(C(=O)c3ccc(Br)o3)C(C)C)n2)c1,0,0.0,
+Cc1cccc(-c2noc(CN(C(=O)c3ccc4c(c3)OCO4)C(C)C)n2)c1,0,0.0,
+Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(Cl)cc3)n2)c1,0,0.0,
+Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(F)cc3)n2)c1,0,0.0,
+Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3cc(Cl)ccc3Cl)n2)c1,0,0.0,
+Cc1cccc(-c2noc(Cc3ccc(Cl)cc3)n2)c1,0,0.0,
+Cc1cccc(-c2noc(Cc3ccccc3)n2)c1,0,0.0,
+Cc1cccc(-c2nsc(SCC(=O)N3CCCC3)n2)c1,0,0.0,
+Cc1cccc(-c2nsc(SCC(=O)NCc3ccco3)n2)c1,0,0.0,
+Cc1cccc(-c2nsc(SCC(=O)Nc3cc(C)on3)n2)c1,0,0.0,
+Cc1cccc(-c2nsc(SCC(=O)Nc3nccs3)n2)c1,0,0.0,
+Cc1cccc(-n2c(-c3ccco3)nc3ccccc3c2=O)n1,0,0.0,
+Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4Cl)nc32)c1,0,0.0,
+Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(C(C)C)nc32)c1,0,0.0,
+Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(CC(C)C)nc32)c1,0,0.0,
+Cc1cccc(-n2c(=O)cc(N3CCN(c4ccc(F)cc4)CC3)[nH]c2=O)c1,0,0.0,
+Cc1cccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1,0,0.0,
+Cc1cccc(-n2c(C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)ccc32)c1,0,0.0,
+Cc1cccc(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)n1,0,0.0,
+Cc1cccc(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)n1,0,0.0,
+Cc1cccc(-n2c(CNC(=O)COc3ccccc3)nnc2SCC(=O)Nc2nccs2)c1,0,0.0,
+Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n[nH]c2=S)c1,0,0.0,
+Cc1cccc(-n2c(CNC(=O)c3ccccc3)nnc2SCC(=O)Nc2nccs2)c1,0,0.0,
+Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1,0,0.0,
+Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCCC2)c1,0,0.0,
+Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCC2CCCO2)c1,0,0.0,
+Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCc2ccco2)c1,0,0.0,
+Cc1cccc(-n2c(N)c(C(=O)N3CCN(C)CC3)sc2=S)c1,0,0.0,
+Cc1cccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)c1,0,0.0,
+Cc1cccc(-n2c(N)cc(=O)[nH]c2=S)c1,0,0.0,
+Cc1cccc(-n2c(N)cc(=O)nc2SC(C)C(=O)NC2CCCCC2)c1,0,0.0,
+Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)NC2CCCCC2)c1,0,0.0,
+Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccccc2)c1,0,0.0,
+Cc1cccc(-n2c(O)c(C=NCCCN3CCOCC3)c(=O)[nH]c2=O)c1C,0,0.0,
+Cc1cccc(-n2c(O)c(C=NCCCN3CCOCC3)c3ccccc3c2=O)c1,0,0.0,
+Cc1cccc(-n2c(O)c(C=NCc3cccnc3)c(=O)[nH]c2=O)c1C,0,0.0,
+Cc1cccc(-n2c(O)c(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3c2=O)n1,0,0.0,
+Cc1cccc(-n2c(O)c(C=Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)n1,0,0.0,
+Cc1cccc(-n2c(O)c(C=Nc3ccccc3N)c(=O)[nH]c2=O)c1,0,0.0,
+Cc1cccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccn2)c1C,0,0.0,
+Cc1cccc(-n2c(SCC(=O)NCc3ccco3)nc3ccccc3c2=O)c1,0,0.0,
+Cc1cccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccco2)c1,0,0.0,
+Cc1cccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-c2ccoc2C)c1,0,0.0,
+Cc1cccc(-n2c(SCC(=O)Nc3nnc(C)s3)nnc2-c2ccoc2C)c1,0,0.0,
+Cc1cccc(-n2c(SCC(=O)Nc3nonc3C)nnc2-c2ccoc2C)c1,0,0.0,
+Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccccn2)c1C,0,0.0,
+Cc1cccc(-n2c(SCCC(=O)O)nnc2-c2cccs2)c1C,0,0.0,
+Cc1cccc(-n2c(SCc3cc(=O)n4ccsc4n3)nc3ccccc32)c1,0,0.0,
+Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)c1,0,0.0,
+Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1,0,0.0,
+Cc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1,0,0.0,
+Cc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1C,0,0.0,
+Cc1cccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)c1,0,0.0,
+Cc1cccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)c1,0,0.0,
+Cc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1,0,0.0,
+Cc1cccc(-n2nc3c(c2NC(=O)CCC2CCCCC2)C[S+]([O-])C3)c1C,0,0.0,
+Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)c1,0,0.0,
+Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)c1C,0,0.0,
+Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CSC3)c1C,0,0.0,
+Cc1cccc(-n2nc3c(c2NC(=O)c2ccco2)CSC3)c1C,0,0.0,
+Cc1cccc(-n2ncc(C#N)c2N)c1,0,0.0,
+Cc1cccc(-n2ncc3c(N(C)C4CCCCC4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(N(C)Cc4ccccc4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(N(CCO)CCO)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(N)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(N4CC(C)CC(C)C4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(N4CCC5(CC4)OCCO5)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(N4CCCC4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(N4CCN(c5nc(C)cc(C)n5)CC4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(N4CCOCC4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(NC(C)C)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(NC4CCCCC4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(NCCCO)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(NCCc4ccc(S(N)(=O)=O)cc4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(NCc4ccccc4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(NCc4ccccn4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(NCc4ccco4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(NCc4cccs4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(Nc4c(C)n(C)n(-c5ccccc5)c4=O)ncnc32)c1,0,0.0,
+Cc1cccc(-n2ncc3c(Nc4ccc(F)cc4)ncnc32)c1,0,0.0,
+Cc1cccc(-n2nnc(C(=O)N3CCc4ccccc4C3)c2N)c1,0,0.0,
+Cc1cccc(-n2nnc(C(=O)NC3CCCc4ccccc43)c2N)c1,0,0.0,
+Cc1cccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)c1,0,0.0,
+Cc1cccc(-n2nnc(C(=O)NCc3ccccc3)c2N)c1,0,0.0,
+Cc1cccc(-n2nnc(C(=O)NCc3ccccn3)c2N)c1,0,0.0,
+Cc1cccc(-n2nnc(C(=O)NCc3ccco3)c2N)c1,0,0.0,
+Cc1cccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1,0,0.0,
+Cc1cccc(-n2nnnc2SC(C)C(=O)NCCC2=CCCCC2)c1,0,0.0,
+Cc1cccc(-n2nnnc2SCC(=O)NCCN2C(=O)CSC2=O)c1,0,0.0,
+Cc1cccc(-n2nnnc2SCC(=O)c2cc(C)n(CC3CCCO3)c2C)c1,0,0.0,
+Cc1cccc(-n2nnnc2SCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1,0,0.0,
+Cc1cccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)c1,0,0.0,
+Cc1cccc(-n2nnnc2SCn2nnc3ccccc3c2=O)c1,0,0.0,
+Cc1cccc(/N=C/c2c(O)[nH]c3ccccc23)n1,0,0.0,
+Cc1cccc(/N=C/c2c(O)c3ccccc3oc2=O)n1,0,0.0,
+Cc1cccc(/N=C/c2c(O)cc(C)oc2=O)n1,0,0.0,
+Cc1cccc(/N=C/c2c(O)n(-c3cc(Cl)ccc3N3CCOCC3)c(=O)c3ccccc23)n1,0,0.0,
+Cc1cccc(C#N)c1NC1=CC(=O)CC(C)(C)C1,0,0.0,
+Cc1cccc(C(=O)N(C)c2nnc(-c3ccncc3)s2)c1,0,0.0,
+Cc1cccc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1,0,0.0,
+Cc1cccc(C(=O)N2CCN(C(=O)c3cccc(C)c3)C(C)C2)c1,0,0.0,
+Cc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,0,0.0,
+Cc1cccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1,0,0.0,
+Cc1cccc(C(=O)NC2CC3CCCC(C2)N3C(=O)NC2CCCCC2)c1,0,0.0,
+Cc1cccc(C(=O)NC2CCN(CC(=O)N3CCOCC3)CC2)c1,0,0.0,
+Cc1cccc(C(=O)NCCN2CCN(c3ccccc3)CC2)c1,0,0.0,
+Cc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)c1,0,0.0,
+Cc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1,0,0.0,
+Cc1cccc(C(=O)Nc2ccc(CC(=O)O)cc2)c1,0,0.0,
+Cc1cccc(C(=O)Nc2ccc(O)cc2)c1,0,0.0,
+Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2c(C)noc2C)c1,0,0.0,
+Cc1cccc(C(=O)Nc2ncc(CN3CCOCC3)s2)c1,0,0.0,
+Cc1cccc(C(=O)O)c1NC(=O)c1ccc(F)cc1,0,0.0,
+Cc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1O,0,0.0,
+Cc1cccc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1,0,0.0,
+Cc1cccc(C(=O)c2ccccc2C(=O)O)c1O,0,0.0,
+Cc1cccc(C(C)(C)C)c1OCCn1ccnc1,0,0.0,
+Cc1cccc(C(C)C)c1-n1nnnc1-c1ccccc1,0,0.0,
+Cc1cccc(C(C)C)c1NC(=O)CSc1ncn[nH]1,0,0.0,
+Cc1cccc(C(C)C)c1NC(=O)c1cccnc1,0,0.0,
+Cc1cccc(C(CC(=O)N2CCCC2)c2ccccc2)c1O,0,0.0,
+Cc1cccc(C(OC(=O)c2ccco2)C(=O)NCc2ccccc2)n1,0,0.0,
+Cc1cccc(C)c1-n1nnnc1S(=O)(=O)Cc1ccccc1Cl,0,0.0,
+Cc1cccc(C)c1-n1nnnc1SCSc1nnnn1-c1c(C)cccc1C,0,0.0,
+Cc1cccc(C)c1N(CC(=O)N1CCN(C)CC1)S(C)(=O)=O,0,0.0,
+Cc1cccc(C)c1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O,0,0.0,
+Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)C(c3ccncc3)C2C1=O,0,0.0,
+Cc1cccc(C)c1N1C(=O)CC(N(O)c2ccccc2)C1=O,0,0.0,
+Cc1cccc(C)c1N1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+Cc1cccc(C)c1NC(=O)C(NC=O)c1ccc(N(C)C)cc1,0,0.0,
+Cc1cccc(C)c1NC(=O)C(c1ccccc1)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1cccc(C)c1NC(=O)C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+Cc1cccc(C)c1NC(=O)C(c1cccs1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21,0,0.0,
+Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)CC2NC(=O)NC2=O)CCCCC1,0,0.0,
+Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccccn2)CCCC1,0,0.0,
+Cc1cccc(C)c1NC(=O)C1(N2CCN(C(=O)c3ccco3)CC2)CCCCC1,0,0.0,
+Cc1cccc(C)c1NC(=O)C1(NC(=O)C2CCCN2C(=O)OC(C)(C)C)CCCCC1,0,0.0,
+Cc1cccc(C)c1NC(=O)C1(NC(=O)c2cnccn2)CCCCC1,0,0.0,
+Cc1cccc(C)c1NC(=O)C1CC(=O)N(C(C)C)C1,0,0.0,
+Cc1cccc(C)c1NC(=O)C1CCCCN1C,0,0.0,
+Cc1cccc(C)c1NC(=O)C1CCCNC1,0,0.0,
+Cc1cccc(C)c1NC(=O)CC(NCc1ccco1)C(=O)O,0,0.0,
+Cc1cccc(C)c1NC(=O)CCCSc1nnc(-c2ccco2)n1-c1ccccc1,0,0.0,
+Cc1cccc(C)c1NC(=O)CCCSc1nnc(-c2ccco2)o1,0,0.0,
+Cc1cccc(C)c1NC(=O)CCCSc1nnnn1C,0,0.0,
+Cc1cccc(C)c1NC(=O)CNc1ccccc1,0,0.0,
+Cc1cccc(C)c1NC(=O)COC(=O)c1nonc1N,0,0.0,
+Cc1cccc(C)c1NC(=O)C[S+]([O-])CC(=O)NC1CCCc2ccccc21,0,0.0,
+Cc1cccc(C)c1NC(=O)C[S+]([O-])CC(=O)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+Cc1cccc(C)c1NC(=O)CSCC(=O)O,0,0.0,
+Cc1cccc(C)c1NC(=O)CSCC(=O)c1ccc(O)c(O)c1,0,0.0,
+Cc1cccc(C)c1NC(=O)CSCCO,0,0.0,
+Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1N,0,0.0,
+Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1,0,0.0,
+Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1C,0,0.0,
+Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1,0,0.0,
+Cc1cccc(C)c1NC(=O)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1,0,0.0,
+Cc1cccc(C)c1NC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1,0,0.0,
+Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1,0,0.0,
+Cc1cccc(C)c1NC(=O)CSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1,0,0.0,
+Cc1cccc(C)c1NC(=O)CSc1nnnn1C,0,0.0,
+Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2sccc21,0,0.0,
+Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccco2)c(=O)c2sccc21,0,0.0,
+Cc1cccc(C)c1NC(=O)Cn1cnc2c(=O)n(C)c(=O)n(C)c21,0,0.0,
+Cc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1,0,0.0,
+Cc1cccc(C)c1NC(=O)N1C2CCCC1CC(NC(=O)C(C)(C)C)C2,0,0.0,
+Cc1cccc(C)c1NC(=O)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1,0,0.0,
+Cc1cccc(C)c1NC(=O)N1CCC(N2CCCCC2)CC1,0,0.0,
+Cc1cccc(C)c1NC(=O)N1CCC(c2nc3ccccc3o2)CC1,0,0.0,
+Cc1cccc(C)c1NC(=O)N1CCC(n2cnc3ccccc32)CC1,0,0.0,
+Cc1cccc(C)c1NC(=O)N1CCN(C2CCCCC2)CC1,0,0.0,
+Cc1cccc(C)c1NC(=O)Nc1cccs1,0,0.0,
+Cc1cccc(C)c1NC(=O)c1c(-c2ccccc2)noc1C,0,0.0,
+Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,0,0.0,
+Cc1cccc(C)c1NC(=O)c1ccc(-n2cnnn2)cc1,0,0.0,
+Cc1cccc(C)c1NC1=NC(C)(C)N=C(N)N1,0,0.0,
+Cc1cccc(C)c1NC1=NC2(CCCCC2)N=C(N)N1,0,0.0,
+Cc1cccc(C)c1NC1=NCCCCS1,0,0.0,
+Cc1cccc(C)c1NC1=NCCCS1,0,0.0,
+Cc1cccc(C)c1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,0,0.0,
+Cc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1,0,0.0,
+Cc1cccc(C)c1Nc1nc2ccccc2o1,0,0.0,
+Cc1cccc(C)c1Nc1nnc(SCC(=O)NCc2ccco2)s1,0,0.0,
+Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1C,0,0.0,
+Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)NC2CCCCC2C)n1C,0,0.0,
+Cc1cccc(C)c1OCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1,0,0.0,
+Cc1cccc(C)c1OCC(=O)Nc1cccc(NC(=O)c2ccco2)c1,0,0.0,
+Cc1cccc(C)c1OCC(=O)Nc1ncn[nH]1,0,0.0,
+Cc1cccc(C)c1OCC(=O)Nn1c(C)nc2ccccc2c1=O,0,0.0,
+Cc1cccc(C)c1OCC(O)CN,0,0.0,
+Cc1cccc(C)c1OCC(O)CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1,0,0.0,
+Cc1cccc(C)c1OCC(O)CNS(=O)(=O)c1ccccc1C(=O)N1CCOCC1,0,0.0,
+Cc1cccc(C)c1OCC(O)Cn1ccnc1C,0,0.0,
+Cc1cccc(C)c1OCCCCc1c(C)n[nH]c1C,0,0.0,
+Cc1cccc(C)c1OCCOCCN1CCN(C)CC1,0,0.0,
+Cc1cccc(C)c1OCc1nnc(SCC(=O)NCCc2ccccc2)o1,0,0.0,
+Cc1cccc(C)c1OCc1nnc(SCC(=O)NCc2ccccc2)o1,0,0.0,
+Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2F)o1,0,0.0,
+Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1,0,0.0,
+Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)o1,0,0.0,
+Cc1cccc(C)c1OCc1nnc2c3cnn(C)c3ncn12,0,0.0,
+Cc1cccc(C2=NCC(=O)N(CC(=O)NCc3ccco3)c3sc4c(c32)CCCC4)c1,0,0.0,
+Cc1cccc(C2CC(c3ccc(Br)cc3)Nc3nc(N)nn32)c1,0,0.0,
+Cc1cccc(C2CC(c3ccc(Cl)cc3)Nc3nc(N)nn32)c1,0,0.0,
+Cc1cccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)c1,0,0.0,
+Cc1cccc(C2CC(c3ccc(F)cc3)Nc3ncnn32)c1,0,0.0,
+Cc1cccc(C2CC(c3ccccc3)Nc3nc(N)nn32)c1,0,0.0,
+Cc1cccc(C2CC(c3ccccc3)Nc3ncnn32)c1,0,0.0,
+Cc1cccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)c1,0,0.0,
+Cc1cccc(C2N(c3nccs3)C(=O)C3CCCN32)c1,0,0.0,
+Cc1cccc(C2Nc3ccccc3C(=O)N2CCc2ccccc2)n1,1,100.0,0.0
+Cc1cccc(C2Nc3ccccc3C(=O)N2c2ccccc2)n1,0,0.0,
+Cc1cccc(C2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)C32)c1,0,0.0,
+Cc1cccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S+]([O-])C3)c1,0,0.0,
+Cc1cccc(CC(=O)Nc2cc(=O)n(C)c(=O)n2C)c1,0,0.0,
+Cc1cccc(CC2CC(=O)N(C3CCCCC3)C2=O)c1,0,0.0,
+Cc1cccc(CC2CC(=O)N(c3ccccc3)C2=O)c1,0,0.0,
+Cc1cccc(CC2CC(=O)N(c3ncccn3)C2=O)c1,0,0.0,
+Cc1cccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N2CCOCC2)c1,0,0.0,
+Cc1cccc(CCNC(=O)C2CCC(CNc3c(N4CCCC4)c(=O)c3=O)CC2)c1,0,0.0,
+Cc1cccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1,0,0.0,
+Cc1cccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,0,0.0,
+Cc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1,0,0.0,
+Cc1cccc(CCNC(=O)CCc2nc(-c3ccccc3F)no2)c1,0,0.0,
+Cc1cccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1,0,0.0,
+Cc1cccc(CCNC(=O)c2nnc(Cc3ccc(Cl)cc3)o2)c1,0,0.0,
+Cc1cccc(CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1,0,0.0,
+Cc1cccc(CCNS(=O)(=O)c2cnc[nH]2)c1,0,0.0,
+Cc1cccc(CN(C)C)c1OC(=O)N(C)C,0,0.0,
+Cc1cccc(CN(C)CCc2ccccn2)c1,0,0.0,
+Cc1cccc(CN2CCC(CNC(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2)c1,0,0.0,
+Cc1cccc(CN2CCN(C(=O)c3ccccc3F)CC2)c1,0,0.0,
+Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1,0,0.0,
+Cc1cccc(CN2CCN(CC(=O)NCCCN3CCCC3=O)C2=O)c1,0,0.0,
+Cc1cccc(CN2CCN(CC(=O)NCc3ccc(F)cc3)C2=O)c1,0,0.0,
+Cc1cccc(CN2CCN(CC(=O)O)C2=O)c1,0,0.0,
+Cc1cccc(CN2CCN(c3ccccn3)CC2)c1,0,0.0,
+Cc1cccc(CN2CCNC2=O)c1,0,0.0,
+Cc1cccc(CNC(=O)c2ccccc2N)c1,0,0.0,
+Cc1cccc(COc2ccc(/C(O)=C3\C(=O)C(=O)N(CCN(C)C)C3c3ccncc3)cc2)c1,0,0.0,
+Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)N3CCC4(CC3)OCCO4)o2)c1,0,0.0,
+Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCC3CCCO3)o2)c1,0,0.0,
+Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCCCN3CCOCC3)o2)c1,0,0.0,
+Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCCN3CCCCC3C)o2)c1,0,0.0,
+Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)c1,1,100.0,0.0
+Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)c1,0,0.0,
+Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)O)o2)c1,0,0.0,
+Cc1cccc(CSC2=NCCN2C(=O)C2CC2)c1,0,0.0,
+Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1,0,0.0,
+Cc1cccc(CSC2=NCCN2C(=O)c2ccco2)c1,0,0.0,
+Cc1cccc(CSc2ncnc3nc[nH]c23)c1,0,0.0,
+Cc1cccc(CSc2nnc(-c3ccccn3)n2N)c1,0,0.0,
+Cc1cccc(CSc2nnc(-c3ccco3)n2C)c1,0,0.0,
+Cc1cccc(CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1,0,0.0,
+Cc1cccc(CSc2nncc(=O)[nH]2)c1,0,0.0,
+Cc1cccc(Cc2c(C)nc3c(C(=O)NCc4ccco4)cnn3c2C)c1,0,0.0,
+Cc1cccc(Cc2c(C)nc3nc(SCC(=O)NCc4ccco4)nn3c2C)c1,0,0.0,
+Cc1cccc(Cc2nnc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)s2)c1,0,0.0,
+Cc1cccc(Cl)c1OCCCCn1ccnc1,0,0.0,
+Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4Cc3ccccc3)n(C)c2=O)c1,0,0.0,
+Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4Cc3ccco3)n(C)c2=O)c1,0,0.0,
+Cc1cccc(Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)c1,0,0.0,
+Cc1cccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c1,0,0.0,
+Cc1cccc(Cn2c(C(C)O)nc3ccccc32)c1,0,0.0,
+Cc1cccc(Cn2c(CN3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1,0,0.0,
+Cc1cccc(Cn2c(N(C)CCO)nc3c2c(=O)[nH]c(=O)n3C)c1,0,0.0,
+Cc1cccc(Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1,0,0.0,
+Cc1cccc(Cn2c(N3CCCCC3C)nc3c2c(=O)[nH]c(=O)n3C)c1,1,100.0,1.0
+Cc1cccc(Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+Cc1cccc(Cn2c(NCCO)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+Cc1cccc(Cn2c(SCC(=O)Nc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1,0,0.0,
+Cc1cccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1,1,100.0,
+Cc1cccc(Cn2c(SCCN3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+Cc1cccc(Cn2c(SCCO)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+Cc1cccc(Cn2c(Sc3nc(C)cs3)nc3c2c(=O)[nH]c(=O)n3C)c1,1,100.0,1.0
+Cc1cccc(Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)c1,0,0.0,
+Cc1cccc(Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)c1,0,0.0,
+Cc1cccc(Cn2cnc3c(nnn3Cc3ccccc3F)c2=O)c1,1,100.0,
+Cc1cccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccncc2)c1,0,0.0,
+Cc1cccc(N(C(=O)CCC(=O)Nc2ccccn2)C(C(=O)NC(C)C)c2ccc(O)cc2)c1,0,0.0,
+Cc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1,0,0.0,
+Cc1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccncc2)c1,0,0.0,
+Cc1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccncc2)c1C,0,0.0,
+Cc1cccc(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)c1,0,0.0,
+Cc1cccc(N(C(=O)c2cnc3n(c2=O)CCS3)C2CCCCC2)c1,0,0.0,
+Cc1cccc(N(C)C(=O)CCS(=O)(=O)c2cccc3nonc23)c1,0,0.0,
+Cc1cccc(N(C)C(=O)COc2cc(=O)n(C)c3ccccc23)c1,0,0.0,
+Cc1cccc(N(C)C(=O)c2cc3cc4ccc(C)cc4nc3o2)c1,0,0.0,
+Cc1cccc(N(C)C(=O)c2coc(=O)c3ccccc23)c1,0,0.0,
+Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,0,0.0,
+Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1,0,0.0,
+Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCOCC4)c(=O)c3c2)c1,0,0.0,
+Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1,0,0.0,
+Cc1cccc(N(C)S(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+Cc1cccc(N(C)c2cc(C)nc3nc(C)nn23)c1,0,0.0,
+Cc1cccc(N(C)c2cc(C)nc3ncnn23)c1,0,0.0,
+Cc1cccc(N(C2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1,0,0.0,
+Cc1cccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c1,0,0.0,
+Cc1cccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c1C,0,0.0,
+Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1,0,0.0,
+Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)C[S+]([O-])CC(=O)Nc2ccc3c(c2)OCO3)c1,0,0.0,
+Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2cc(C)ccn2)c1,0,0.0,
+Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2ccccn2)c1,0,0.0,
+Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2c(C)noc2C)c1,0,0.0,
+Cc1cccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1,0,0.0,
+Cc1cccc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2ccccn2)c1,0,0.0,
+Cc1cccc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2ccccn2)c1C,0,0.0,
+Cc1cccc(N(CC(=O)NCc2ccccc2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)c1,0,0.0,
+Cc1cccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1,0,0.0,
+Cc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1,0,0.0,
+Cc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1C,0,0.0,
+Cc1cccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1,0,0.0,
+Cc1cccc(N(CC(N)=O)C2SC(=O)N(c3ccccc3)C2=O)c1,0,0.0,
+Cc1cccc(N(CC(N)=O)S(C)(=O)=O)c1C,0,0.0,
+Cc1cccc(N(CC(O)CN(C)C)S(=O)(=O)c2ccccc2)c1,0,0.0,
+Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c1C,0,0.0,
+Cc1cccc(N(Cc2ccccc2F)S(C)(=O)=O)c1,0,0.0,
+Cc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1,0,0.0,
+Cc1cccc(N)c1SC1CCCCC1O,0,0.0,
+Cc1cccc(N/C(N)=N/c2nc3c(c(=O)[nH]2)CCCC3)c1,0,0.0,
+Cc1cccc(N2C(=O)C3C4C=CC(C4)C3(C)C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)CC(=O)NC2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)CC(N(C(=O)c3ccco3)c3cccc(C)c3)C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)CC(N3CCN(C(=O)c4ccccc4)CC3)C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)CC(N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)CC(N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)CC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)CC(N3CCOCC3)C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)CC(Sc3nc(C)c4c(n3)CCCC4)C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)N(c3ccccc3C)C3CS(=O)(=O)CC32)c1,0,0.0,
+Cc1cccc(N2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)SC(N(C)c3ccccc3)C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)SC(N(CC(=O)O)c3cccc(C)c3)C2=O)c1,0,0.0,
+Cc1cccc(N2C(=O)c3cccc4c(N(C)CCO)ccc(c34)C2=O)c1,1,100.0,
+Cc1cccc(N2C(N)=C(C#N)C(C#N)(C#N)C2c2ccccc2)c1,0,0.0,
+Cc1cccc(N2C(N)=NC(N)=NC23CCCCC3)c1,0,0.0,
+Cc1cccc(N2CC(=O)N(c3cccc(C)c3)CC2=O)c1,0,0.0,
+Cc1cccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)c1C,0,0.0,
+Cc1cccc(N2CC(C(=O)O)CC2=O)c1,0,0.0,
+Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)c1,0,0.0,
+Cc1cccc(N2CC(c3nc4ccccc4n3C)CC2=O)c1C,0,0.0,
+Cc1cccc(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)c1,0,0.0,
+Cc1cccc(N2CC3=C(C2=O)C(c2ccccc2)NC(=O)N3C)c1,0,0.0,
+Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)c1,0,0.0,
+Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)C3CCCCC3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cccc5cccnc45)C3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cnc[nH]4)CC3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)C3CCN(c4nnc(-n5cccc5)s4)CC3)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)CCCOc3ccccc3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)CCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)CCNC(=O)Cn3ccc4ccccc4c3=O)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)CCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)CCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)COc3cc(=O)n(C)c4ccccc34)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)COc3cc(=O)n(C)c4ccccc34)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)CS(=O)(=O)Cc3nc(-c4ccccc4F)oc3C)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)CSCc3c(C)noc3C)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)Cc3c(C(=O)O)[nH]c4ccc(Cl)cc34)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)Cn3ccc4ccccc4c3=O)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)Cn3cccc3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)Cn3nc(Cc4ccncc4)c4ccccc4c3=O)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)Cn3sc4nc(C)cc(C)c4c3=O)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3cc4c(=O)[nH]c5ccccc5c4n3C)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3cc4c(C)nc5ccccc5c4o3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4C)o3)CC2C)c1,1,100.0,
+Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)NCc4ccco4)c3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)C4CCCO4)cc3)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4c(C)noc4C)cc3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3ccncc3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3ccncc3)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(C(=O)c3cn(C)c(=O)c4c3c3ccccc3n4C)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(=O)n3ccnc3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(c3ccccc3)c3nnnn3CC3CCCO3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C(c3cccs3)c3nnnn3C(C)(C)C)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(C3=NC(=O)C(=C4CCCCC4)S3)CC2)c1,0,0.0,
+Cc1cccc(N2CCN(CC(=O)NCC3CCCCC3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(CCNC(=O)c3cc4c(s3)CS(=O)(=O)C4)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c1C,1,100.0,1.0
+Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)CCC(=O)O)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)c(=O)n4C)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(S(C)(=O)=O)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(c3cc(C)nc4nnnn34)CC2C)c1,0,0.0,
+Cc1cccc(N2CCN(c3cccc(C)c3)C2c2cccnc2)c1,0,0.0,
+Cc1cccc(N2CCN(c3nc4ccc(Cl)cc4n4cnnc34)CC2)c1C,0,0.0,
+Cc1cccc(N2CCN(c3nc4ccccc4n4cnnc34)CC2)c1C,1,100.0,
+Cc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2C)c1,0,0.0,
+Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1,0,0.0,
+Cc1cccc(N2CN=c3s/c(=C\c4ccncc4)c(=O)n3C2)c1,0,0.0,
+Cc1cccc(N2CSC3=C(C#N)C(c4ccc(C)o4)CC(=O)N3C2)c1,0,0.0,
+Cc1cccc(N=C(N2CCOCC2)P(=O)(N2CCOCC2)N2CCOCC2)c1,0,0.0,
+Cc1cccc(N=C2NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)c1C,0,0.0,
+Cc1cccc(N=C2NC(=O)CS2)c1,0,0.0,
+Cc1cccc(N=C2NC(=O)CS2)c1C,0,0.0,
+Cc1cccc(N=c2oc3cc(O)ccc3cc2C(N)=O)c1,0,0.0,
+Cc1cccc(NC(=O)C(C)Oc2ccccc2C)n1,0,0.0,
+Cc1cccc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)n1,0,0.0,
+Cc1cccc(NC(=O)C23CCC(C)(/C(=N/O)C2)C3(C)C)c1,0,0.0,
+Cc1cccc(NC(=O)C2C(C(=O)O)C3C=CC2C32CC2)c1C,0,0.0,
+Cc1cccc(NC(=O)C2CC(O)CN2C(=O)OCc2ccccc2)c1,0,0.0,
+Cc1cccc(NC(=O)C2CCCN(C(=O)NC3CCCCC3)C2)c1C,0,0.0,
+Cc1cccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c1C,0,0.0,
+Cc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)n1,0,0.0,
+Cc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1,0,0.0,
+Cc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)n1,0,0.0,
+Cc1cccc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)c1,0,0.0,
+Cc1cccc(NC(=O)C2CCCN2C(=O)OCC(C)C)c1,0,0.0,
+Cc1cccc(NC(=O)C2CCCN2C(=O)OCC(C)C)c1C,0,0.0,
+Cc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1C,0,0.0,
+Cc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1,1,100.0,
+Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)n1,0,0.0,
+Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)c1,0,0.0,
+Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)n1,0,0.0,
+Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)n1,0,0.0,
+Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n1,1,100.0,0.0
+Cc1cccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1,0,0.0,
+Cc1cccc(NC(=O)C2CCN(c3nccc(C)n3)CC2)c1,0,0.0,
+Cc1cccc(NC(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)n1,0,0.0,
+Cc1cccc(NC(=O)CC(C)(C)C)c1,0,0.0,
+Cc1cccc(NC(=O)CC2CCC2)c1,0,0.0,
+Cc1cccc(NC(=O)CC2NC3CCCCC3NC2=O)c1,0,0.0,
+Cc1cccc(NC(=O)CC2SC(=NC3CCCCC3)NC2=O)c1,0,0.0,
+Cc1cccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1,0,0.0,
+Cc1cccc(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)n1,0,0.0,
+Cc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1,0,0.0,
+Cc1cccc(NC(=O)CCN2CC(C)OC(C)C2)c1,0,0.0,
+Cc1cccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)c1,0,0.0,
+Cc1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+Cc1cccc(NC(=O)CCc2ccc(C)o2)c1,0,0.0,
+Cc1cccc(NC(=O)CCn2ccnc2C)c1,0,0.0,
+Cc1cccc(NC(=O)CCn2nc(C)cc2C)c1,0,0.0,
+Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1,0,0.0,
+Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)c1,0,0.0,
+Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1C,0,0.0,
+Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)n1,0,0.0,
+Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,0,0.0,
+Cc1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1,0,0.0,
+Cc1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1C,0,0.0,
+Cc1cccc(NC(=O)CN2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1,0,0.0,
+Cc1cccc(NC(=O)CN2CCN(CC(=O)Nc3cccc(C)c3)CC2)c1,0,0.0,
+Cc1cccc(NC(=O)CNc2cc(C)ccc2C)c1,0,0.0,
+Cc1cccc(NC(=O)COc2ccc(Br)cc2)n1,0,0.0,
+Cc1cccc(NC(=O)COc2ccc(Br)cc2C)n1,0,0.0,
+Cc1cccc(NC(=O)COc2ccccc2)c1,0,0.0,
+Cc1cccc(NC(=O)COc2ccccc2C)n1,0,0.0,
+Cc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1,0,0.0,
+Cc1cccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c1C,0,0.0,
+Cc1cccc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c1,0,0.0,
+Cc1cccc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c1C,0,0.0,
+Cc1cccc(NC(=O)CSC(N)=O)c1C,0,0.0,
+Cc1cccc(NC(=O)CSCc2c(C)noc2C)c1C,0,0.0,
+Cc1cccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)c1,0,0.0,
+Cc1cccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+Cc1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)c1C,0,0.0,
+Cc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1C,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)c1,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)c1,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1C,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c1C,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)o2)c1C,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c1,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c1C,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2Cc2ccco2)c1,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)o2)c1,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(Cn3nnc(-c4ccccc4)n3)n2-c2ccccc2)c1,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc(NC(=O)CN3CCOCC3)s2)c1,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc([C@@H](N)Cc3c[nH]c4ccccc34)o2)c1C,0,0.0,
+Cc1cccc(NC(=O)CSc2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)o2)c1C,0,0.0,
+Cc1cccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)c1,0,0.0,
+Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=N)c3c4c(sc32)COC(C)(C)C4)c1,0,0.0,
+Cc1cccc(NC(=O)Cn2c(=O)n3nc(CCn4nc(C)cc4C)nc3c3ccccc32)c1,0,0.0,
+Cc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1,0,0.0,
+Cc1cccc(NC(=O)Cn2c(C)c(C#N)c3ccccc32)c1C,0,0.0,
+Cc1cccc(NC(=O)Cn2cccc2)c1,0,0.0,
+Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1C,0,0.0,
+Cc1cccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCC(C)CC4)c3c2=O)n1,0,0.0,
+Cc1cccc(NC(=O)Cn2nnc(-c3ccc(CN4CCCC4)cc3)n2)c1C,0,0.0,
+Cc1cccc(NC(=O)Cn2nnc(-c3cccs3)n2)c1C,0,0.0,
+Cc1cccc(NC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)c1,0,0.0,
+Cc1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1,0,0.0,
+Cc1cccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1,0,0.0,
+Cc1cccc(NC(=O)NCC(c2cccnc2)N2CCOCC2)c1,0,0.0,
+Cc1cccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)c1,0,0.0,
+Cc1cccc(NC(=O)Nc2cc(C)on2)c1,0,0.0,
+Cc1cccc(NC(=O)Nc2ccc(C#N)cc2)n1,0,0.0,
+Cc1cccc(NC(=O)Nc2cccc(C#N)c2)n1,0,0.0,
+Cc1cccc(NC(=O)Nc2cccc(C)n2)n1,0,0.0,
+Cc1cccc(NC(=O)Nc2cccc(F)c2)n1,0,0.0,
+Cc1cccc(NC(=O)c2c(C)cc(=O)oc2C)n1,0,0.0,
+Cc1cccc(NC(=O)c2c(C)nc3ccccn23)n1,0,0.0,
+Cc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)n1,0,0.0,
+Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)n1,0,0.0,
+Cc1cccc(NC(=O)c2cc(N3CCOCC3)nc3ccccc23)c1,0,0.0,
+Cc1cccc(NC(=O)c2cc(NC(=O)C3CC=CCC3C(=O)O)ccc2N2CCOCC2)c1,0,0.0,
+Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(=O)O)ccc2Cl)n1,0,0.0,
+Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(=O)O)ccc2N2CCCCC2)c1,0,0.0,
+Cc1cccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2Cl)n1,0,0.0,
+Cc1cccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCCC2)c1,0,0.0,
+Cc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2F)c1C,0,0.0,
+Cc1cccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)n1,0,0.0,
+Cc1cccc(NC(=O)c2cc3ccccc3o2)c1,0,0.0,
+Cc1cccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccc4c(c2)OCO4)N3)c1,0,0.0,
+Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1,0,0.0,
+Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1,0,0.0,
+Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1,0,0.0,
+Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1,0,0.0,
+Cc1cccc(NC(=O)c2ccc3ccccc3n2)n1,0,0.0,
+Cc1cccc(NC(=O)c2ccccc2Br)n1,0,0.0,
+Cc1cccc(NC(=O)c2ccccc2NC(=O)C(C)(C)C)n1,0,0.0,
+Cc1cccc(NC(=O)c2ccccc2O)c1C,0,0.0,
+Cc1cccc(NC(=O)c2ccccc2OCC(=O)N2CCOCC2)c1C,0,0.0,
+Cc1cccc(NC(=O)c2ccccn2)c1C,1,100.0,0.0
+Cc1cccc(NC(=O)c2cccnc2)c1,0,0.0,
+Cc1cccc(NC(=O)c2cccs2)n1,0,0.0,
+Cc1cccc(NC(=O)c2cnc3ccccn3c2=O)c1,0,0.0,
+Cc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1,0,0.0,
+Cc1cccc(NC(=O)c2cnc3scc(C)n3c2=O)c1,0,0.0,
+Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1,0,0.0,
+Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1C,0,0.0,
+Cc1cccc(NC(=O)c2cnc3sccn3c2=O)n1,0,0.0,
+Cc1cccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)n1,0,0.0,
+Cc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)c1C,0,0.0,
+Cc1cccc(NC(=O)c2sc(NC(=O)c3ccco3)c(C#N)c2C)c1C,1,100.0,0.0
+Cc1cccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)n1,0,0.0,
+Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)n1,0,0.0,
+Cc1cccc(NC(=O)c2snc3c(=O)[nH]cnc23)c1,0,0.0,
+Cc1cccc(NC2(C(F)(F)F)N=C3SCCN3C2=O)n1,0,0.0,
+Cc1cccc(NC2=NC(C)(C)N=C(N)N2)c1C,0,0.0,
+Cc1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,0,0.0,
+Cc1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1C,0,0.0,
+Cc1cccc(NC2=NCC(=O)N2Cc2ccccc2)c1,0,0.0,
+Cc1cccc(NC2=NCCCS2)c1C,0,0.0,
+Cc1cccc(NC2SC(=O)N(c3ccccc3)C2=O)c1,0,0.0,
+Cc1cccc(NCC(=O)Nc2cccc(C)c2C)c1C,0,0.0,
+Cc1cccc(NCC(O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1,0,0.0,
+Cc1cccc(NCN2C(=O)c3ccncc3C2=O)n1,0,0.0,
+Cc1cccc(NCc2ccccc2O)c1,0,0.0,
+Cc1cccc(NCc2ccccc2O)c1C,0,0.0,
+Cc1cccc(NCc2ccccc2O)n1,0,0.0,
+Cc1cccc(NCc2nc(-c3ccccc3)no2)c1,0,0.0,
+Cc1cccc(NCc2nc(SCC(N)=O)n[nH]2)c1,0,0.0,
+Cc1cccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)Nc3cc(C)on3)ccc2C)c1,0,0.0,
+Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3cc(C)on3)c2)c1,0,0.0,
+Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1,0,0.0,
+Cc1cccc(NS(=O)(=O)c2cccc3cccnc23)n1,0,0.0,
+Cc1cccc(NS(=O)(=O)c2ccccc2)n1,0,0.0,
+Cc1cccc(NS(=O)(=O)c2cccs2)n1,0,0.0,
+Cc1cccc(Nc2ccccc2)c1,0,0.0,
+Cc1cccc(Nc2ccccc2C(=O)O)c1C,0,0.0,
+Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N2CCOCC2)c1C,1,100.0,0.0
+Cc1cccc(Nc2n[nH]c(=S)s2)c1C,0,0.0,
+Cc1cccc(Nc2nc(-c3ccccn3)cs2)n1,0,0.0,
+Cc1cccc(Nc2nc(N)nc(CN3CCC(C(N)=O)CC3)n2)c1C,0,0.0,
+Cc1cccc(Nc2nc(N)nc(CN3CCC(C)CC3)n2)c1C,0,0.0,
+Cc1cccc(Nc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)c1,0,0.0,
+Cc1cccc(Nc2nc(N)nc(CN3CCN(c4ccccc4)CC3)n2)c1,0,0.0,
+Cc1cccc(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)c1,0,0.0,
+Cc1cccc(Nc2nc(NC(C)C)nc(Oc3ccc(=O)n(C)n3)n2)c1,0,0.0,
+Cc1cccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)c1,0,0.0,
+Cc1cccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(O)CO)c1,0,0.0,
+Cc1cccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c1,0,0.0,
+Cc1cccc(Nc2ncc3c(n2)CC(C)CC3=O)c1,0,0.0,
+Cc1cccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c1,0,0.0,
+Cc1cccc(Nc2ncccc2C(=O)O)c1C,0,0.0,
+Cc1cccc(Nc2ncnc3ccccc23)c1,0,0.0,
+Cc1cccc(Nc2ncnc3nc[nH]c23)c1,0,0.0,
+Cc1cccc(Nc2ncnc3nc[nH]c23)c1C,0,0.0,
+Cc1cccc(Nc2nn3c(=O)c4ccccc4nc3s2)c1,0,0.0,
+Cc1cccc(Nc2nnc(SCc3cn4ccsc4n3)s2)c1,0,0.0,
+Cc1cccc(OC(=O)N2CCOCC2)c1,0,0.0,
+Cc1cccc(OC(C)C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1C,0,0.0,
+Cc1cccc(OCC(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1,0,0.0,
+Cc1cccc(OCC(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1C,0,0.0,
+Cc1cccc(OCC(=O)N2CCC(N3CCCCCC3)CC2)c1,0,0.0,
+Cc1cccc(OCC(=O)N2CCC(N3CCOCC3)CC2)c1,0,0.0,
+Cc1cccc(OCC(=O)N2CCC(c3ccccc3)C2)c1,0,0.0,
+Cc1cccc(OCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1,0,0.0,
+Cc1cccc(OCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1,0,0.0,
+Cc1cccc(OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c1,0,0.0,
+Cc1cccc(OCC(=O)NCC(=O)n2nc(C)cc2C)c1,0,0.0,
+Cc1cccc(OCC(=O)NCCN2CCOCC2)c1,0,0.0,
+Cc1cccc(OCC(=O)NCc2ccncc2)c1C,0,0.0,
+Cc1cccc(OCC(=O)Nc2cc(C)c(C)cc2O)c1,0,0.0,
+Cc1cccc(OCC(=O)Nc2cc(C)ccc2O)c1,0,0.0,
+Cc1cccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1C,0,0.0,
+Cc1cccc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,0,0.0,
+Cc1cccc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1C,0,0.0,
+Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1,0,0.0,
+Cc1cccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c1,1,100.0,0.0
+Cc1cccc(OCC(=O)Nc2ccc3c(c2)OCO3)c1C,0,0.0,
+Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(C)CC2)n3C)c1,0,0.0,
+Cc1cccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1C,0,0.0,
+Cc1cccc(OCC(=O)Nc2cccc(O)c2)c1,0,0.0,
+Cc1cccc(OCC(=O)Nc2ccccc2N2CCCCC2)c1,0,0.0,
+Cc1cccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1C,0,0.0,
+Cc1cccc(OCC(=O)OC2CN3CCC2CC3)c1,0,0.0,
+Cc1cccc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1,0,0.0,
+Cc1cccc(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)c1,0,0.0,
+Cc1cccc(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)c1C,0,0.0,
+Cc1cccc(OCC(O)CN2CCN(C3CCCCC3)CC2)c1,0,0.0,
+Cc1cccc(OCC(O)Cn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)c1,0,0.0,
+Cc1cccc(OCC(O)Cn2c(=N)n(CCN3CCCCC3)c3ccccc32)c1,0,0.0,
+Cc1cccc(OCC(O)Cn2c(=N)n(CCN3CCOCC3)c3ccccc32)c1,0,0.0,
+Cc1cccc(OCC(O)Cn2c(NCCCOC(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1,0,0.0,
+Cc1cccc(OCC(O)Cn2c(NCc3cccnc3)nc3c2c(=O)[nH]c(=O)n3C)c1,0,0.0,
+Cc1cccc(OCC2=N/C(=C\N(C)C)C(=O)O2)c1,0,0.0,
+Cc1cccc(OCC2=NS(=O)(=O)c3ccccc3N2)c1,0,0.0,
+Cc1cccc(OCCC(=O)NCC(c2ccccc2)N(C)C)c1,0,0.0,
+Cc1cccc(OCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1,0,0.0,
+Cc1cccc(OCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1,0,0.0,
+Cc1cccc(OCCC(=O)OCC(=O)N2CCc3ccccc32)c1,0,0.0,
+Cc1cccc(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)c1,0,0.0,
+Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1,0,0.0,
+Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1C,0,0.0,
+Cc1cccc(OCCCC(=O)Nc2ccc3c(c2)OCO3)c1,0,0.0,
+Cc1cccc(OCCCC(=O)Nc2nccs2)c1,0,0.0,
+Cc1cccc(OCCCC(=O)O)c1,0,0.0,
+Cc1cccc(OCCCC(=O)O)c1C,0,0.0,
+Cc1cccc(OCCCCCNCCO)c1,0,0.0,
+Cc1cccc(OCCCCCn2ccnc2)c1,0,0.0,
+Cc1cccc(OCCCCCn2ccnc2)c1C,0,0.0,
+Cc1cccc(OCCCCc2c(C)n[nH]c2C)c1,0,0.0,
+Cc1cccc(OCCCCc2c(C)n[nH]c2C)c1C,0,0.0,
+Cc1cccc(OCCCN2CCCCCC2)c1,0,0.0,
+Cc1cccc(OCCCc2c(C)n[nH]c2C)c1,0,0.0,
+Cc1cccc(OCCCn2ccnc2)c1,0,0.0,
+Cc1cccc(OCCN2CSC(=S)N(C)C2)c1,0,0.0,
+Cc1cccc(OCCNC(=O)c2ncn[nH]2)c1,0,0.0,
+Cc1cccc(OCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,0,0.0,
+Cc1cccc(OCCOC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1,0,0.0,
+Cc1cccc(OCCOCCN2CCOCC2)c1C,0,0.0,
+Cc1cccc(OCCOCCSc2ncccn2)c1,0,0.0,
+Cc1cccc(OCCSc2cc(C)nc(N)n2)c1,0,0.0,
+Cc1cccc(OCCSc2nnc(-c3ccoc3C)n2C)c1,0,0.0,
+Cc1cccc(OCCc2nnc(N)s2)c1C,0,0.0,
+Cc1cccc(OCCn2c(=O)n(C)c3ccccc32)c1,0,0.0,
+Cc1cccc(OCCn2c(CCCO)nc3ccccc32)c1,0,0.0,
+Cc1cccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc32)c1,0,0.0,
+Cc1cccc(OCc2n[nH]c(=S)o2)c1,0,0.0,
+Cc1cccc(OCc2nc(C#N)c(N3CC(C)CC(C)C3)o2)c1,0,0.0,
+Cc1cccc(OCc2nc(C#N)c(NCCN(C)C)o2)c1,0,0.0,
+Cc1cccc(OCc2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)c1,0,0.0,
+Cc1cccc(OCc2nc(C)cc(=O)[nH]2)c1,0,0.0,
+Cc1cccc(OCc2nnc(N)s2)c1,0,0.0,
+Cc1cccc(OCc2nnc(SCC(=O)N(C(C)C)C(C)C)n2Cc2ccco2)c1C,0,0.0,
+Cc1cccc(OCc2nnc(SCC(=O)N3CCCC3)n2C)c1,0,0.0,
+Cc1cccc(OCc2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2C)c1C,0,0.0,
+Cc1cccc(OCc2nnc(SCC(=O)N3CCc4ccccc43)n2C)c1,0,0.0,
+Cc1cccc(OCc2nnc(SCC(=O)NCCc3ccccc3)o2)c1,0,0.0,
+Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(C)on3)n2C)c1,0,0.0,
+Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)c1,0,0.0,
+Cc1cccc(OCc2nnc(SCC(=O)Nc3sc(C)c(C)c3C#N)n2C)c1,0,0.0,
+Cc1cccc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)c1,0,0.0,
+Cc1cccc(OCc2nnc(SCC(=O)c3ccccc3)o2)c1,0,0.0,
+Cc1cccc(OCc2nnc(SCC(=O)c3cccs3)n2C)c1C,0,0.0,
+Cc1cccc(OCc2nnc(SCc3cc(=O)n4cc(Br)ccc4n3)o2)c1,1,100.0,0.0
+Cc1cccc(OCc2nnc(SCc3nc4cc(C(F)(F)F)ccc4c(=O)[nH]3)o2)c1,0,0.0,
+Cc1cccc(OCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)o2)c1,0,0.0,
+Cc1cccc(OCc2nnc(SCn3nnc4ccccc4c3=O)o2)c1,0,0.0,
+Cc1cccc(OCc2nnc3n2CCCCC3)c1,0,0.0,
+Cc1cccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CC(C)OC(C)C2)c1,0,0.0,
+Cc1cccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)c1,0,0.0,
+Cc1cccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCOCC2)c1,0,0.0,
+Cc1cccc(S(=O)(=O)NCCC(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)c1,0,0.0,
+Cc1cccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c1,0,0.0,
+Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)c1,0,0.0,
+Cc1cccc(S(=O)(=O)c2c(N)n(/N=C/c3cccnc3)c3nc4ccccc4nc23)c1,0,0.0,
+Cc1cccc(S(=O)(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)c1,0,0.0,
+Cc1cccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)c1,0,0.0,
+Cc1cccc2[nH]c(-c3ccc(NC(=O)c4ccco4)cc3)nc12,0,0.0,
+Cc1cccc2[nH]c3c(=O)n(CCN4CCNCC4)cnc3c12,0,0.0,
+Cc1cccc2c(=O)c(C(=O)N3CCCCCC3)c[nH]c12,0,0.0,
+Cc1cccc2c(=O)cc(C)n(CC(=O)N3CCCCC3)c12,0,0.0,
+Cc1cccc2c(=O)cc(C)n(CC(=O)N3CCOCC3)c12,0,0.0,
+Cc1cccc2c(=O)oc(-c3ccc4c(c3)C(=O)N(CC3CCCO3)C4=O)nc12,0,0.0,
+Cc1cccc2c1CC(C)(C)N=C2C1=C(O)CCCC1=O,0,0.0,
+Cc1cccc2c1N(CC(=O)OC(C)C)C(=O)C2=O,0,0.0,
+Cc1cccc2c1NC(C)CC2C,0,0.0,
+Cc1cccc2c1nc(-c1ccccc1)n1cnnc21,0,0.0,
+Cc1cccc2c1nc(-c1ccccc1)n1nnnc21,0,0.0,
+Cc1cccc2cc(=O)[nH]c(C)c12,0,0.0,
+Cc1cccc2cc(C#N)c(N3CCCC3)nc12,0,0.0,
+Cc1cccc2cc(C#N)c(N3CCN(C)CC3)nc12,0,0.0,
+Cc1cccc2cc(C#N)c(NCCCn3ccnc3)nc12,0,0.0,
+Cc1cccc2cc(C#N)c(NCCNC(=O)NC3CCCCC3)nc12,0,0.0,
+Cc1cccc2cc(C#N)c(NCCNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12,0,0.0,
+Cc1cccc2cc(C#N)c(SCC(=O)N3CC(=O)Nc4ccccc43)nc12,0,0.0,
+Cc1cccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc12,0,0.0,
+Cc1cccc2cc(C#N)c(SCCN3CCCCC3)nc12,0,0.0,
+Cc1cccc2cc(C(c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(C(c3nnnn3C3CCCC3)N3CCOCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(C(c3nnnn3CC3CCCO3)N3CCCC4(CCCCC4)C3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(C(c3nnnn3CC3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(C(c3nnnn3CC3CCCO3)N3CCOCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(C(c3nnnn3CC3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCC(C)CC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(C(c3nnnn3Cc3ccccc3)N3CCN(C)CC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(C(c3nnnn3Cc3ccccc3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(CC3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(CC3CCCO3)C(=O)c3cccnc3)c3nnnn3c12,0,0.0,
+Cc1cccc2cc(CN(CC3CCCO3)C(=O)c3ccco3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(CC3CCCO3)C(=O)c3ccncc3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(CC3CCCO3)C(=O)c3cnccn3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(CC3CCCO3)C(c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(CC3CCCO3)S(=O)(=O)c3ccccc3)c3nnnn3c12,0,0.0,
+Cc1cccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(CCCO)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(CCCO)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(CCCO)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(CCN3CCCC3)C(=O)NC3CCCCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(CCN3CCOCC3)C(=O)NCc3ccccc3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(CCc3ccccc3)C(=O)N3CCOCC3)c3nnnn3c12,0,0.0,
+Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N(C)C)c3nnnn3c12,0,0.0,
+Cc1cccc2cc(CN(Cc3ccc(F)cc3)Cc3nnnn3C3CCCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C3CCCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3ccccc3)C(=O)N(C)C)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3cccnc3)C(=O)c3ccncc3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3ccco3)C(=O)N3CCCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3ccco3)C(=O)NC3CCCCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3ccncc3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3ccco3)C(c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3cccs3)C(c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3cccs3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3cccs3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(CN(Cc3nnnn3Cc3ccco3)C3CCCC3)c3nnnn3c12,1,100.0,
+Cc1cccc2cc(COC(=O)C(C)(C)C)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(COC(=O)C(C)C)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(COC(=O)C3CCCCC3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(COC(=O)C3CCCO3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(COC(=O)COc3ccccc3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(COC(=O)c3ccccc3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(COC(=O)c3ccccn3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(COC(=O)c3cccnc3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc(COC(=O)c3ccco3)c(=O)[nH]c12,0,0.0,
+Cc1cccc2cc3c(N)c(C#N)sc3nc12,0,0.0,
+Cc1cccc2cc3c(N)c(C(=O)N4CCOCC4)sc3nc12,0,0.0,
+Cc1cccc2cc3c(NC(=O)C(C)C)nn(C)c3nc12,1,100.0,
+Cc1cccc2cc3c(NC(=O)CC(C)C)nn(C)c3nc12,0,0.0,
+Cc1cccc2cc3c(NC(=O)c4ccccn4)nn(C)c3nc12,0,0.0,
+Cc1cccc2cc3c(nc12)SC(=NCC1CCCO1)N(Cc1ccco1)C3,0,0.0,
+Cc1cccc2nc(=S)n(C(=O)c3ccco3)n12,0,0.0,
+Cc1cccc2nc(C(F)(F)F)nc(=O)n12,0,0.0,
+Cc1cccc2nc(CNc3ccc(F)cc3)cn12,0,0.0,
+Cc1cccc2nc(CSCc3ccco3)cn12,0,0.0,
+Cc1cccc2nc(CSc3nncn3-c3ccccc3)cn12,0,0.0,
+Cc1cccc2nc(CSc3nnnn3-c3ccccc3)cn12,0,0.0,
+Cc1cccc2nc(Cn3c(=O)n(CCC(=O)NCc4ccco4)c(=O)c4ccccc43)cc(=O)n12,0,0.0,
+Cc1cccc2nc(Cn3c(=O)n(CCC(=O)NCc4ccco4)c(=O)c4sccc43)cc(=O)n12,0,0.0,
+Cc1cccc2nc(Cn3c(=O)n(CCCC(=O)NCc4ccco4)c(=O)c4ccccc43)cc(=O)n12,0,0.0,
+Cc1cccc2sc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nonc45)C3)nc12,0,0.0,
+Cc1cccc2sc(NC(=O)C3CCCO3)nc12,0,0.0,
+Cc1cccc2sc(NC(=O)CCNS(=O)(=O)c3cccc4nonc34)nc12,0,0.0,
+Cc1cccc2sc(NC(=O)CCNS(=O)(=O)c3cccs3)nc12,0,0.0,
+Cc1cccc2sc(NC(=O)CN(C)S(=O)(=O)c3ccc(Br)s3)nc12,0,0.0,
+Cc1cccc2sc(NC(=O)CN(C)S(=O)(=O)c3cccs3)nc12,0,0.0,
+Cc1cccc2sc(NC(=O)CNS(=O)(=O)c3ccc(Br)s3)nc12,0,0.0,
+Cc1cccc2sc(NC(=O)Cn3cccc3)nc12,0,0.0,
+Cc1cccc2sc(NC(=O)c3ccc(Cl)s3)nc12,0,0.0,
+Cc1ccccc1-c1c(C)oc2cc(O)ccc2c1=O,0,0.0,
+Cc1ccccc1-c1cc(-c2ccccc2O)n[nH]1,0,0.0,
+Cc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)n1,0,0.0,
+Cc1ccccc1-c1ccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1,0,0.0,
+Cc1ccccc1-c1ccc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1,0,0.0,
+Cc1ccccc1-c1ccc(Nc2ccc(N3CCOCC3)cc2)nn1,0,0.0,
+Cc1ccccc1-c1coc2cc(O)ccc2c1=O,0,0.0,
+Cc1ccccc1-c1n[nH]c(=S)o1,0,0.0,
+Cc1ccccc1-c1nc(-c2cccnc2)no1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCC(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCC(C(=O)NCC3CCCO3)CC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCC3=CCCCC3)CC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CC(C)CC(C)C3)CC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCCC3)CC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCC(C(=O)NCc3cccnc3)CC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCC(C(=O)NCc3ccco3)CC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCC(C(=O)O)CC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCCC(C(=O)NCCCN3CCOCC3)C2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CN2CCCC(C(=O)NCc3cccnc3)C2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N(C)C2CCCCC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N2CCc3ccccc3C2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCCCN2C(C)CCCC2C)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCCCN2CCCC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCCCN2CCCC2=O)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCCN2CCOCC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCc2ccc3c(c2)OCO3)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCc2ccccc2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)Nc2cc(F)ccc2F)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(C[S+]([O-])CC(=O)N2CCC3(CC2)OCCO3)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(C[S+]([O-])CC(=O)NCCCN(C)c2ccccc2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(C[S+]([O-])CC(=O)NCCN2CCN(Cc3ccccc3)CC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(C[S+]([O-])CC(=O)NCCN2CCOCC2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(C[S+]([O-])CC(=O)NCc2ccccc2)c(C)o1,0,0.0,
+Cc1ccccc1-c1nc(Cc2ccc(Cl)cc2)no1,0,0.0,
+Cc1ccccc1-c1nc(Cc2ccccc2)no1,0,0.0,
+Cc1ccccc1-c1nc2cc(N)ccc2o1,0,0.0,
+Cc1ccccc1-c1nc2ccccc2c(=O)n1C1CCS(=O)(=O)C1,0,0.0,
+Cc1ccccc1-c1nn2c(-c3ccccc3)nnc2s1,1,100.0,0.0
+Cc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1,0,0.0,
+Cc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1,0,0.0,
+Cc1ccccc1-c1nnc(-c2ccccc2)o1,0,0.0,
+Cc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)o1,0,0.0,
+Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1N,0,0.0,
+Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N,0,0.0,
+Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)o1,0,0.0,
+Cc1ccccc1-c1nnc(SCc2ccc(F)cc2)o1,0,0.0,
+Cc1ccccc1-c1nnc(SCc2ccccc2)o1,0,0.0,
+Cc1ccccc1-c1nnc(SCc2ccccc2F)o1,0,0.0,
+Cc1ccccc1-c1nnc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n12,0,0.0,
+Cc1ccccc1-c1nnn(CC(=O)NCc2ccc3c(c2)OCO3)n1,0,0.0,
+Cc1ccccc1-c1nnn(CC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1,0,0.0,
+Cc1ccccc1-c1noc(-c2ccc(O)cc2)n1,0,0.0,
+Cc1ccccc1-c1noc(-c2cccs2)n1,0,0.0,
+Cc1ccccc1-c1noc(N)c1C#N,0,0.0,
+Cc1ccccc1-n1c(-c2cccnc2)n[nH]c1=S,0,0.0,
+Cc1ccccc1-n1c(-c2ccncc2)n[nH]c1=S,0,0.0,
+Cc1ccccc1-n1c(=O)/c(=C\c2ccco2)s/c1=C(/C#N)C(=O)Nc1ccccc1,0,0.0,
+Cc1ccccc1-n1c(=O)c2ccccc2n2c(=O)[nH]nc12,0,0.0,
+Cc1ccccc1-n1c(=O)c2ccccc2n2nnnc12,0,0.0,
+Cc1ccccc1-n1c(=O)cc(N2CC(C)OC(C)C2)[nH]c1=O,0,0.0,
+Cc1ccccc1-n1c(=O)cc(N2CCC3(CC2)OCCO3)[nH]c1=O,0,0.0,
+Cc1ccccc1-n1c(=O)cc(N2CCCCCC2)[nH]c1=O,0,0.0,
+Cc1ccccc1-n1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O,0,0.0,
+Cc1ccccc1-n1c(=O)cc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O,0,0.0,
+Cc1ccccc1-n1c(=O)cc(N2CCc3ccccc3C2)[nH]c1=O,0,0.0,
+Cc1ccccc1-n1c(=O)cc(NCC2CCCO2)[nH]c1=O,0,0.0,
+Cc1ccccc1-n1c(=O)cc(NCc2ccc3c(c2)OCO3)[nH]c1=O,0,0.0,
+Cc1ccccc1-n1c(C)nc2ccccc21,0,0.0,
+Cc1ccccc1-n1c(C)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+Cc1ccccc1-n1c(C)nnc1SCC(=O)NCC1CCCO1,0,0.0,
+Cc1ccccc1-n1c(C)nnc1SCc1nc2ccccc2s1,0,0.0,
+Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SC(C)C,0,0.0,
+Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCC(C)CC1,0,0.0,
+Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCC1,0,0.0,
+Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCOCC1,0,0.0,
+Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCC1CCCO1,0,0.0,
+Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1nccs1,0,0.0,
+Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(N)=O,0,0.0,
+Cc1ccccc1-n1c(N)cc(=O)[nH]c1=S,0,0.0,
+Cc1ccccc1-n1c(O)c(C=NCCN2CCOCC2)c(=O)[nH]c1=O,0,0.0,
+Cc1ccccc1-n1c(O)c(C=Nc2ccc(N(C)C)cc2)c(=O)[nH]c1=O,0,0.0,
+Cc1ccccc1-n1c(O)c(C=Nc2ccc3c(c2)OCO3)c(=O)[nH]c1=O,0,0.0,
+Cc1ccccc1-n1c(SC(C)C(N)=O)nnc1-c1cccnc1,0,0.0,
+Cc1ccccc1-n1c(SC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)nnc1-c1ccncc1,0,0.0,
+Cc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccccn1,0,0.0,
+Cc1ccccc1-n1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccncc1,0,0.0,
+Cc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(O)cc1=O,0,0.0,
+Cc1ccccc1-n1c(SCC(=O)NCc2cccs2)nnc1-c1ccncc1,0,0.0,
+Cc1ccccc1-n1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1ccncc1,0,0.0,
+Cc1ccccc1-n1c(SCc2c(C)noc2C)nnc1-c1c[nH]c2ccccc12,0,0.0,
+Cc1ccccc1-n1c(SCc2c(C)noc2C)nnc1-c1ccncc1,0,0.0,
+Cc1ccccc1-n1c(SCc2cc(=O)n3ccccc3n2)nc2[nH]ncc2c1=O,0,0.0,
+Cc1ccccc1-n1c(SCc2ccccn2)nc2n[nH]c(C)c2c1=N,0,0.0,
+Cc1ccccc1-n1nc(-c2ccc(N)cc2)cc1N,0,0.0,
+Cc1ccccc1-n1nc(C(=O)O)c(C)c(C#N)c1=O,0,0.0,
+Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)sc21,0,0.0,
+Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCOCC3)sc21,0,0.0,
+Cc1ccccc1-n1nc(C)c2cc(C(=O)NCc3cccnc3)sc21,0,0.0,
+Cc1ccccc1-n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)C[S+]([O-])C2,0,0.0,
+Cc1ccccc1-n1nc2c(c1NC(=O)c1c(-c3ccccc3Cl)noc1C)CS(=O)(=O)C2,0,0.0,
+Cc1ccccc1-n1nc2c(c1NC(=O)c1c(-c3ccccc3Cl)noc1C)CSC2,0,0.0,
+Cc1ccccc1-n1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)CS(=O)(=O)C2,0,0.0,
+Cc1ccccc1-n1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)C[S+]([O-])C2,0,0.0,
+Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Br)o1)CSC2,0,0.0,
+Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CSC2,0,0.0,
+Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(F)c1)C[S+]([O-])C2,0,0.0,
+Cc1ccccc1-n1ncc2c(SCC(=O)NCc3cccs3)ncnc21,0,0.0,
+Cc1ccccc1-n1nnc2c(=O)oc3ccccc3c21,0,0.0,
+Cc1ccccc1-n1nnnc1-c1ccccc1,0,0.0,
+Cc1ccccc1-n1nnnc1SC1CCOC1=O,0,0.0,
+Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+Cc1ccccc1-n1nnnc1SCC(N)=O,0,0.0,
+Cc1ccccc1-n1nnnc1SCc1csc(-c2ccccc2)n1,0,0.0,
+Cc1ccccc1-n1nnnc1SCc1ncc(-c2ccccc2)o1,0,0.0,
+Cc1ccccc1C(=O)/C=C1\NC(=O)CS1,0,0.0,
+Cc1ccccc1C(=O)N(C)Cc1ccccc1,0,0.0,
+Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1,1,100.0,0.0
+Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,0,0.0,
+Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1,0,0.0,
+Cc1ccccc1C(=O)N1CCCN(C(=O)c2ccccc2C)CC1,0,0.0,
+Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1,0,0.0,
+Cc1ccccc1C(=O)N1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1,0,0.0,
+Cc1ccccc1C(=O)NC1CC(C)(C)NC(C)(C)C1,0,0.0,
+Cc1ccccc1C(=O)NC1CCN(CC(=O)Nc2nccs2)CC1,0,0.0,
+Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2CCc2ccccc2)CC1,0,0.0,
+Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1,0,0.0,
+Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2Cc2ccccc2)CC1,0,0.0,
+Cc1ccccc1C(=O)NCCN=C1NS(=O)(=O)c2ccccc21,0,0.0,
+Cc1ccccc1C(=O)NCc1ccncc1,0,0.0,
+Cc1ccccc1C(=O)Nc1c(C(=O)N2CCCC2)cnn1-c1ccccc1,0,0.0,
+Cc1ccccc1C(=O)Nc1ccc(Br)c(C)n1,0,0.0,
+Cc1ccccc1C(=O)Nc1ccc(Br)cn1,0,0.0,
+Cc1ccccc1C(=O)Nc1ccc(Cl)cn1,0,0.0,
+Cc1ccccc1C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1ccccc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3,0,0.0,
+Cc1ccccc1C(=O)Nc1cccc(-c2nnc(SCC(=O)O)n2C)c1,0,0.0,
+Cc1ccccc1C(=O)Nc1cccc(N)c1,0,0.0,
+Cc1ccccc1C(=O)Nc1cccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c1,0,0.0,
+Cc1ccccc1C(=O)Nc1ccccc1,0,0.0,
+Cc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)o1,0,0.0,
+Cc1ccccc1C(=O)OCn1nnc2ccccc2c1=O,0,0.0,
+Cc1ccccc1C(=O)c1ccc2c(c1)n(C)c(=O)n2C,0,0.0,
+Cc1ccccc1C(=O)c1cccn1CC(=O)N1CCCCCC1,0,0.0,
+Cc1ccccc1C(=O)c1cccn1CC(=O)NCC1CCCO1,0,0.0,
+Cc1ccccc1C(=O)c1cccn1CC(=O)NCc1ccco1,0,0.0,
+Cc1ccccc1C(=O)c1cccn1CC(=O)O,0,0.0,
+Cc1ccccc1C(C(=O)NCc1ccco1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,0,0.0,
+Cc1ccccc1C(NC(N)=O)c1ccccc1,0,0.0,
+Cc1ccccc1C(OCC(O)CN1CCCCC1CCO)c1ccccc1,1,100.0,1.0
+Cc1ccccc1C(OCCN(C)C)c1ccccc1,1,100.0,1.0
+Cc1ccccc1C1=NC(c2ccc(F)cc2F)ON1,0,0.0,
+Cc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2,0,0.0,
+Cc1ccccc1C1CC(c2ccc(Br)cc2)Nc2nc(N)nn21,0,0.0,
+Cc1ccccc1C1CC(c2ccc(F)cc2)Nc2nc(N)nn21,0,0.0,
+Cc1ccccc1C1CC(c2ccccc2)Nc2ncnn21,0,0.0,
+Cc1ccccc1C1CC(c2ccccc2OC(F)F)Nc2ncnn21,0,0.0,
+Cc1ccccc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1,0,0.0,
+Cc1ccccc1CN(c1ccc(C(=O)N2CCCC2)cc1)S(C)(=O)=O,0,0.0,
+Cc1ccccc1CN(c1ccc(C(N)=O)cc1)S(C)(=O)=O,0,0.0,
+Cc1ccccc1CN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc21,0,0.0,
+Cc1ccccc1CN1C(=O)C2(OCCCO2)c2ccccc21,0,0.0,
+Cc1ccccc1CN1C(=O)CSc2ccc(C(=O)N3CCOCC3)cc21,0,0.0,
+Cc1ccccc1CN1C2=NCCN2c2ccccc21,0,0.0,
+Cc1ccccc1CN1CCCNC1=O,0,0.0,
+Cc1ccccc1CN1CCN(C(=O)c2cccc(F)c2)CC1,0,0.0,
+Cc1ccccc1CN1CCN(CC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1=O,0,0.0,
+Cc1ccccc1CN1CCN(CC(=O)NCc2ccc3c(c2)OCO3)C1=O,0,0.0,
+Cc1ccccc1CN1CCN(CC(=O)NCc2ccccc2)C1=O,0,0.0,
+Cc1ccccc1CN1CCN(CC(=O)NCc2ccccn2)C1=O,0,0.0,
+Cc1ccccc1CN1CCN(CC(=O)NCc2ccco2)C1=O,0,0.0,
+Cc1ccccc1CN1CCNC(=O)C1CC(=O)O,0,0.0,
+Cc1ccccc1CN1CCNC1=O,0,0.0,
+Cc1ccccc1CNC(=O)Nc1cccs1,0,0.0,
+Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCO2,0,0.0,
+Cc1ccccc1CNc1nc(N)n(-c2ccccc2)n1,0,0.0,
+Cc1ccccc1COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2ccco2)cc1,0,0.0,
+Cc1ccccc1CS(=O)(=O)CCC(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0.0,
+Cc1ccccc1CS(=O)(=O)CCC(=O)NCCCN1CCN(c2ccccc2F)CC1,0,0.0,
+Cc1ccccc1CS(=O)(=O)CCC(=O)NCCCN1CCOCC1,0,0.0,
+Cc1ccccc1CS(=O)(=O)CCC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+Cc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccccn1,0,0.0,
+Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)N2CCC3(CC2)OCCO3)o1,0,0.0,
+Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)N2CCOCC2)o1,0,0.0,
+Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCC2CCCO2)o1,0,0.0,
+Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCCCN2CCCC2=O)o1,0,0.0,
+Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCCCN2CCOCC2)o1,0,0.0,
+Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccccn2)o1,0,0.0,
+Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1,0,0.0,
+Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccco2)o1,0,0.0,
+Cc1ccccc1CS(=O)(=O)c1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1,0,0.0,
+Cc1ccccc1CSCC(=O)NC(=O)NC(C)(C)C,0,0.0,
+Cc1ccccc1CSCC(=O)NC(=O)NCc1ccco1,0,0.0,
+Cc1ccccc1CSCC(=O)c1c(N)n(C)c(=O)n(C)c1=O,0,0.0,
+Cc1ccccc1CSCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O,0,0.0,
+Cc1ccccc1CSc1nc2c(c(=O)[nH]1)CCC2,0,0.0,
+Cc1ccccc1CSc1nc2n(n1)C(c1cccs1)C1=C(CCCC1=O)N2,0,0.0,
+Cc1ccccc1CSc1ncc(C#N)c(N)n1,0,0.0,
+Cc1ccccc1CSc1nnc(-c2ccccn2)n1N,0,0.0,
+Cc1ccccc1CSc1nnc(-c2cccnc2)n1N,0,0.0,
+Cc1ccccc1CSc1nnc(-c2ccco2)n1Cc1ccco1,0,0.0,
+Cc1ccccc1CSc1nnc(C)c(=O)[nH]1,0,0.0,
+Cc1ccccc1CSc1nnc(C)n1N,0,0.0,
+Cc1ccccc1CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,0,0.0,
+Cc1ccccc1CSc1nncn1N,0,0.0,
+Cc1ccccc1Cc1c(C)nc2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cnn2c1C,0,0.0,
+Cc1ccccc1Cc1c(C)nc2c(C(=O)NCc3ccco3)cnn2c1C,0,0.0,
+Cc1ccccc1Cc1c(C)nc2nc(SCC(=O)NCc3ccco3)nn2c1C,0,0.0,
+Cc1ccccc1Cc1c(C)nc2ncnn2c1C,0,0.0,
+Cc1ccccc1Cn1c(-c2cncs2)nc2ccccc21,0,0.0,
+Cc1ccccc1Cn1c(=N)n(CC(=O)c2ccco2)c2ccccc21,0,0.0,
+Cc1ccccc1Cn1c(=N)n(CC(O)c2ccco2)c2ccccc21,0,0.0,
+Cc1ccccc1Cn1c(=O)[nH]c2ccccc21,0,0.0,
+Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O,0,0.0,
+Cc1ccccc1Cn1c(=O)c2c(nc3n2CCN3Cc2ccco2)n(C)c1=O,0,0.0,
+Cc1ccccc1Cn1c(=O)n(CCCC(=O)NCc2ccco2)c(=O)c2ccccc21,0,0.0,
+Cc1ccccc1Cn1c(C(C)O)nc2ccccc21,0,0.0,
+Cc1ccccc1Cn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+Cc1ccccc1Cn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+Cc1ccccc1Cn1c(CN2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+Cc1ccccc1Cn1c2ccccc2c2cn[nH]c(=O)c21,0,0.0,
+Cc1ccccc1Cn1cc(/C=N/n2cnnc2)c2ccccc21,0,0.0,
+Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3cccs3)on2)cn1,0,0.0,
+Cc1ccccc1Cn1cc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cn1,0,0.0,
+Cc1ccccc1Cn1cc(NC(=O)c2noc3c2CC(C(C)(C)C)CC3)cn1,0,0.0,
+Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)N2CCCCC2)c2ccccc21,0,0.0,
+Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21,0,0.0,
+Cc1ccccc1Cn1ccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)n1,0,0.0,
+Cc1ccccc1Cn1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)n1,0,0.0,
+Cc1ccccc1Cn1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)n1,1,100.0,
+Cc1ccccc1Cn1ccc(NC(=O)c2cnn3cccnc23)n1,0,0.0,
+Cc1ccccc1Cn1ccc(NC(=O)c2nc3ncccn3n2)n1,0,0.0,
+Cc1ccccc1Cn1ccc(NC(=O)c2onc(C)c2Cl)n1,0,0.0,
+Cc1ccccc1Cn1cnc2c(cnn2C(C)(C)C)c1=O,0,0.0,
+Cc1ccccc1Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O,0,0.0,
+Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc(-c3cccs3)on2)c1C,0,0.0,
+Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc3n(n2)C(C(F)F)CC(C(F)F)N3)c1C,0,0.0,
+Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1C,0,0.0,
+Cc1ccccc1Cn1nc(C)c(NC(=O)c2nc3n(n2)C(C(F)F)CC(C)N3)c1C,0,0.0,
+Cc1ccccc1Cn1nc(C)c(NC(=O)c2noc3c2CC(C(C)(C)C)CC3)c1C,0,0.0,
+Cc1ccccc1Cn1nc(C)c(NC(=O)c2noc3c2CCCC3)c1C,0,0.0,
+Cc1ccccc1Cn1nc(C)c(NC(=O)c2noc3c2CCc2ccccc2-3)c1C,0,0.0,
+Cc1ccccc1Cn1nnc(-c2cccc(C(=O)O)c2)n1,0,0.0,
+Cc1ccccc1Cn1nnc(C(=O)Nc2cccc(C)c2C)c1N,0,0.0,
+Cc1ccccc1N(C(=O)CCC(=O)Nc1ccccn1)C(C(=O)NC(C)C)c1ccc(O)cc1,0,0.0,
+Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccncc1,0,0.0,
+Cc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCC3CCCO3)c(=O)c2c1,0,0.0,
+Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C[S+]([O-])CC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)C1(C)CC(=O)N=C2C=CC=CN21,0,0.0,
+Cc1ccccc1N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O,0,0.0,
+Cc1ccccc1N(CC(=O)NCCc1ccccc1)C(=O)c1ccc(N2CCCC2)nc1,1,100.0,0.0
+Cc1ccccc1N(CC(=O)NCc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1ccccn1,0,0.0,
+Cc1ccccc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O,0,0.0,
+Cc1ccccc1N(CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O,0,0.0,
+Cc1ccccc1N(CC(=O)Nc1ccccc1C(=O)O)S(C)(=O)=O,0,0.0,
+Cc1ccccc1N(CC(N)=O)S(C)(=O)=O,0,0.0,
+Cc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccccc1,0,0.0,
+Cc1ccccc1N1C(=O)C(Cl)=C(N2CCCCCC2)C1=O,0,0.0,
+Cc1ccccc1N1C(=O)C(Cl)=C(N2CCN(c3ccccc3)CC2)C1=O,0,0.0,
+Cc1ccccc1N1C(=O)C2ON(c3ccccc3)C(c3cccnc3)C2C1=O,0,0.0,
+Cc1ccccc1N1C(=O)C2ON(c3ccccc3)C(c3ccncc3)C2C1=O,0,0.0,
+Cc1ccccc1N1C(=O)CC(=O)NC1=O,0,0.0,
+Cc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O,0,0.0,
+Cc1ccccc1N1C(=O)CC(N2CCC(C(N)=O)CC2)C1=O,0,0.0,
+Cc1ccccc1N1C(=O)CC(Sc2nnc(-c3ccccc3)o2)C1=O,0,0.0,
+Cc1ccccc1N1C(=O)N(c2cccc(C(F)(F)F)c2)C2CS(=O)(=O)CC21,0,0.0,
+Cc1ccccc1N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O,0,0.0,
+Cc1ccccc1N1C(=O)c2cccc3c(N(C)CCO)ccc(c23)C1=O,0,0.0,
+Cc1ccccc1N1C(=O)c2ccccc2C1Nc1cccnc1,0,0.0,
+Cc1ccccc1N1C(=O)c2sc3nc4c(c(=O)n3c2C1=O)CCC4,0,0.0,
+Cc1ccccc1N1C(N)=NC(N)=NC1(C)C,0,0.0,
+Cc1ccccc1N1CC(c2nc3ccccc3[nH]2)CC1=O,0,0.0,
+Cc1ccccc1N1CCN(C(=O)C2CCCCC2)CC1,0,0.0,
+Cc1ccccc1N1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1,0,0.0,
+Cc1ccccc1N1CCN(Cc2c(C#N)c3ccccc3n2C)CC1,0,0.0,
+Cc1ccccc1N1CCN(Cc2cccc(C(=O)O)c2)CC1,0,0.0,
+Cc1ccccc1N1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1,1,100.0,0.0
+Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1,0,0.0,
+Cc1ccccc1N1OC2C(=O)N(c3ccc(F)cc3)C(=O)C2C1c1ccccn1,0,0.0,
+Cc1ccccc1N=C1NC(=O)CS1,0,0.0,
+Cc1ccccc1N=C1Nc2ccccc2CS1,0,0.0,
+Cc1ccccc1NC(=O)C(C#N)Cc1cccnc1,0,0.0,
+Cc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2F)C1,0,0.0,
+Cc1ccccc1NC(=O)C1CC(Cl)=CCC1C(=O)O,0,0.0,
+Cc1ccccc1NC(=O)C1CCC(C)(C(=O)O)C1(C)C,0,0.0,
+Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1,0,0.0,
+Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+Cc1ccccc1NC(=O)C1CCCN1C(=O)NC1CCCCC1,0,0.0,
+Cc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1cccc2cccnc12,0,0.0,
+Cc1ccccc1NC(=O)C1CCN(c2cnccn2)CC1,0,0.0,
+Cc1ccccc1NC(=O)C1Cc2ccccc2C(=O)O1,0,0.0,
+Cc1ccccc1NC(=O)CC1SC(=NC2CCCCC2)NC1=O,0,0.0,
+Cc1ccccc1NC(=O)CC1SCCNC1=O,0,0.0,
+Cc1ccccc1NC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F,0,0.0,
+Cc1ccccc1NC(=O)CCN1CCCCCC1,0,0.0,
+Cc1ccccc1NC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+Cc1ccccc1NC(=O)CCn1c(=O)oc2ccccc21,0,0.0,
+Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12,0,0.0,
+Cc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O,0,0.0,
+Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21,0,0.0,
+Cc1ccccc1NC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1,0,0.0,
+Cc1ccccc1NC(=O)CNc1ccccc1N1CCCCC1,0,0.0,
+Cc1ccccc1NC(=O)CSC(N)=O,0,0.0,
+Cc1ccccc1NC(=O)CSCCO,0,0.0,
+Cc1ccccc1NC(=O)CSc1[nH]c(=O)cc(C)c1C#N,0,0.0,
+Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,0,0.0,
+Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N,0,0.0,
+Cc1ccccc1NC(=O)CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1,0,0.0,
+Cc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2,0,0.0,
+Cc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1,0,0.0,
+Cc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1,0,0.0,
+Cc1ccccc1NC(=O)CSc1nnnn1C,0,0.0,
+Cc1ccccc1NC(=O)Cc1nc(CSc2nnc(C3CCCCC3)n2N)cs1,0,0.0,
+Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C,0,0.0,
+Cc1ccccc1NC(=O)Cn1c(=O)n(C)c2ccccc21,0,0.0,
+Cc1ccccc1NC(=O)Cn1c(C)nc2ccc(NC(=O)C3CC3)cc2c1=O,0,0.0,
+Cc1ccccc1NC(=O)Cn1cccc1,0,0.0,
+Cc1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O,0,0.0,
+Cc1ccccc1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1,0,0.0,
+Cc1ccccc1NC(=O)N1C2CCCC1CC(NC(=O)C(C)(C)C)C2,0,0.0,
+Cc1ccccc1NC(=O)N1C2CCCC1CC(NC(=O)C1CC1)C2,0,0.0,
+Cc1ccccc1NC(=O)N1CCCC(c2nc(-c3ccc(C(C)C)cc3)no2)C1,0,0.0,
+Cc1ccccc1NC(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1,0,0.0,
+Cc1ccccc1NC(=O)NCCCN1CCN(C2CCCCC2)CC1,0,0.0,
+Cc1ccccc1NC(=O)NCCN1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+Cc1ccccc1NC(=O)NCCc1nc2ccccc2[nH]1,0,0.0,
+Cc1ccccc1NC(=O)NCc1ccco1,0,0.0,
+Cc1ccccc1NC(=O)Nc1cccs1,0,0.0,
+Cc1ccccc1NC(=O)c1c(-c2ccccc2)noc1C,0,0.0,
+Cc1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+Cc1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3,0,0.0,
+Cc1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+Cc1ccccc1NC(=O)c1cc(N)ccc1N1CCCCC1,0,0.0,
+Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,0,0.0,
+Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1,0,0.0,
+Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1,0,0.0,
+Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+Cc1ccccc1NC(=O)c1cccc2nccnc12,0,0.0,
+Cc1ccccc1NC(=O)c1ccccc1,0,0.0,
+Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccco1,0,0.0,
+Cc1ccccc1NC(=O)c1cnc2ccccn2c1=O,0,0.0,
+Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,0,0.0,
+Cc1ccccc1NC(=O)c1nc[nH]c1C(=O)NCc1ccccc1,0,0.0,
+Cc1ccccc1NC(=O)c1ocnc1C,0,0.0,
+Cc1ccccc1NC1=NC(C)(C)N=C(N)N1,0,0.0,
+Cc1ccccc1NC1=NCC(C)S1,0,0.0,
+Cc1ccccc1NC1=NCCCS1,0,0.0,
+Cc1ccccc1NC1C=CS(=O)(=O)C1,0,0.0,
+Cc1ccccc1NCN1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+Cc1ccccc1NCc1ccccc1O,0,0.0,
+Cc1ccccc1NP(C)(=O)Nc1ccccc1C,0,0.0,
+Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1C,0,0.0,
+Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C,0,0.0,
+Cc1ccccc1NS(=O)(=O)c1cc(C(N)=O)ccc1C,0,0.0,
+Cc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl,0,0.0,
+Cc1ccccc1NS(=O)(=O)c1ccc(C2CNC(=O)C2)cc1,0,0.0,
+Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1,0,0.0,
+Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1,0,0.0,
+Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1,0,0.0,
+Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)N(C)Cc3ccco3)c(=O)c2c1,0,0.0,
+Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NCCCN3CCOCC3)c(=O)c2c1,0,0.0,
+Cc1ccccc1NS(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1,0,0.0,
+Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1,0,0.0,
+Cc1ccccc1Nc1nc(CSc2nnc(-c3ccoc3C)n2C)cs1,0,0.0,
+Cc1ccccc1Nc1nc(N)nc(CN(C)c2ccccc2)n1,0,0.0,
+Cc1ccccc1Nc1nc(N)nc(CN2C(=O)NC3(CCCCC3C)C2=O)n1,0,0.0,
+Cc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccn3)CC2)n1,0,0.0,
+Cc1ccccc1Nc1nc(N)nc(COC(=O)C(NC(=O)c2ccco2)C(C)C)n1,0,0.0,
+Cc1ccccc1Nc1nc(N)nc(COC(=O)CCS(=O)(=O)c2ccccc2)n1,0,0.0,
+Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cccn2C)n1,0,0.0,
+Cc1ccccc1Nc1nc(N)nc(CSCc2c(C)noc2C)n1,0,0.0,
+Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2CCCO)n1,0,0.0,
+Cc1ccccc1Nc1nc(N)nc(CSc2nnc3sc4ccccc4n23)n1,0,0.0,
+Cc1ccccc1Nc1nc(N)nc(CSc2nnnn2-c2ccccc2)n1,0,0.0,
+Cc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+Cc1ccccc1Nc1nn2c(=O)c3ccccc3nc2s1,0,0.0,
+Cc1ccccc1Nc1nnc(C)c(=O)[nH]1,0,0.0,
+Cc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCc2ccco2)s1,0,0.0,
+Cc1ccccc1Nc1nnc(SCC(=O)NCc2ccco2)s1,0,0.0,
+Cc1ccccc1OC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F,0,0.0,
+Cc1ccccc1OC(C)C(=O)NC1CCCC1,0,0.0,
+Cc1ccccc1OC(C)c1nc(-c2ccccc2)no1,0,0.0,
+Cc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)C1CCS(=O)(=O)C1,0,0.0,
+Cc1ccccc1OCC(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1,0,0.0,
+Cc1ccccc1OCC(=O)NCC1CCCO1,0,0.0,
+Cc1ccccc1OCC(=O)NCCC(=O)O,0,0.0,
+Cc1ccccc1OCC(=O)NCCN(C)C,0,0.0,
+Cc1ccccc1OCC(=O)NCCN1CCCC1,0,0.0,
+Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)c(Cl)c1,0,0.0,
+Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,0,0.0,
+Cc1ccccc1OCC(=O)Nc1ccc2c(c1)COC2=O,0,0.0,
+Cc1ccccc1OCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1ccccc1OCC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1,0,0.0,
+Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccco2)c1,0,0.0,
+Cc1ccccc1OCC(=O)Nc1ccccc1CO,0,0.0,
+Cc1ccccc1OCC(=O)Nc1ccccc1N1CCCCC1,0,0.0,
+Cc1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+Cc1ccccc1OCC(=O)OC(C)CN1CCN(C)CC1,1,100.0,0.0
+Cc1ccccc1OCC(O)CN,0,0.0,
+Cc1ccccc1OCC(O)Cn1c(=N)n(CCN2CCOCC2)c2ccccc21,0,0.0,
+Cc1ccccc1OCC(O)Cn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+Cc1ccccc1OCC(O)Cn1c(NCCN(C)C)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+Cc1ccccc1OCC(O)Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+Cc1ccccc1OCC(O)Cn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+Cc1ccccc1OCC(O)Cn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+Cc1ccccc1OCC1CN(CN2CCOCC2)C(=O)O1,0,0.0,
+Cc1ccccc1OCC1Cn2c(nc3c2c(=O)[nH]c(=O)n3C)O1,0,0.0,
+Cc1ccccc1OCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1ccccc1OCCCC(=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+Cc1ccccc1OCCCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1ccccc1OCCCC(=O)Nc1nccs1,0,0.0,
+Cc1ccccc1OCCCCCNCCO,0,0.0,
+Cc1ccccc1OCCCCCn1ccnc1,0,0.0,
+Cc1ccccc1OCCCCc1c(C)n[nH]c1C,0,0.0,
+Cc1ccccc1OCCCN1C(=O)C(=O)c2cccc(C)c21,0,0.0,
+Cc1ccccc1OCCCN1CCCC1,0,0.0,
+Cc1ccccc1OCCN1C(=O)NC2(CCc3ccccc32)C1=O,0,0.0,
+Cc1ccccc1OCCN1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1ccccc1OCCNC(=O)CNC(=O)c1ccccc1O,0,0.0,
+Cc1ccccc1OCCn1c(=O)oc2ccccc21,0,0.0,
+Cc1ccccc1OCCn1nc(C(=O)O)c2ccccc2c1=O,0,0.0,
+Cc1ccccc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1,0,0.0,
+Cc1ccccc1OCc1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)no1,0,0.0,
+Cc1ccccc1OCc1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1,0,0.0,
+Cc1ccccc1OCc1nc(-c2ccccc2)no1,0,0.0,
+Cc1ccccc1OCc1nc2c3cnn(C)c3ncn2n1,0,0.0,
+Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccco1,0,0.0,
+Cc1ccccc1OCc1nc2ccccc2c(=O)n1NC(=O)c1ccco1,0,0.0,
+Cc1ccccc1OCc1nnc(SCC(=O)NCc2ccccc2)n1C,0,0.0,
+Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C,0,0.0,
+Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)n1C,0,0.0,
+Cc1ccccc1OCc1nnc2c3cnn(C)c3ncn12,0,0.0,
+Cc1ccccc1OCc1nnc2n1CC(C)S2,0,0.0,
+Cc1ccccc1Oc1ccc(Oc2ccccc2C)nn1,0,0.0,
+Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+Cc1ccccc1Oc1ccc(S(=O)(=O)NCCC(=O)O)cc1,0,0.0,
+Cc1ccccc1P(=O)(CO)c1ccccc1C,0,0.0,
+Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CC(C)CC(C)C2)o1,0,0.0,
+Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)o1,0,0.0,
+Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1,0,0.0,
+Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1,0,0.0,
+Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)o1,0,0.0,
+Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCCN2CCN(C)CC2)o1,0,0.0,
+Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCCOC(C)C)o1,0,0.0,
+Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCCC2C)o1,0,0.0,
+Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1,0,0.0,
+Cc1ccccc1S(=O)(=O)NC1OC(=O)C(Cl)=C1Cl,0,0.0,
+Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCOCC1,0,0.0,
+Cc1ccccc1SCC(=O)NC1CCOC1=O,0,0.0,
+Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)nc12,0,0.0,
+Cc1cccn2c(=O)c(/C=N/O)c(N3CCCCC3)nc12,0,0.0,
+Cc1cccn2c(=O)c(C=NCc3ccccc3)c(NCCO)nc12,0,0.0,
+Cc1cccn2c(=O)c(C=NCc3ccco3)c(Nc3ccc(Cl)cc3)nc12,0,0.0,
+Cc1cccn2c(=O)c(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(N3CCCC3)nc12,0,0.0,
+Cc1cccn2c(=O)c(C=Nc3ccccc3)c(NCCO)nc12,0,0.0,
+Cc1cccn2c(=O)c(C=Nc3ccccc3)c(NCc3ccco3)nc12,0,0.0,
+Cc1cccn2c(=O)c3c(nc12)N1CCC(Cc2ccccc2)CC1C1(C3)C(=O)N(C)C(=O)N(C)C1=O,0,0.0,
+Cc1cccn2c(=O)c3cc(C#N)c(=N)n(CCN4CCOCC4)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C#N)c(=N)n(Cc4cccnc4)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C#N)c(=N)n(Cc4ccncc4)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccc5c(c4)OCO5)n(CC(C)C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccccc4)n(Cc4ccco4)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4cccnc4)n(CC4CCCO4)c3nc12,1,100.0,
+Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccncc4)n(CCCOC(C)C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccncc4)n(Cc4ccco4)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C#N)c(=O)n(-c4c(C)n(C)n(-c5ccccc5)c4=O)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C#N)c(=O)n(CCCN4CCOCC4)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)N(C)C)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)N4CCC5(CC4)OCCO5)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)N4CCCc5ccccc54)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)N4CCN(c5ccccc5)CC4)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)N4CCc5ccccc54)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)N4CCc5ccccc5C4)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)N4COCC4(C)C)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)N4c5ccccc5CC4C)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)NC(C)c4ccccc4)c(=N)n(CCCn4ccnc4)c3nc12,1,100.0,1.0
+Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C4CCCC4)c3nc12,1,100.0,1.0
+Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(CCN4CCOCC4)c3nc12,1,100.0,0.0
+Cc1cccn2c(=O)c3cc(C(=O)NC4CCS(=O)(=O)C4)sc3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)NCC4CCCO4)c(=N)n(Cc4cccnc4)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)NCC4CCCO4)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)NCCCN4CCCC4=O)n(C)c3nc12,1,100.0,1.0
+Cc1cccn2c(=O)c3cc(C(=O)NCCCN4CCOCC4)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)NCCCn4ccnc4)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)NCCN4CCOCC4)c(=N)n(CCc4ccccc4)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)NCCN4CCOCC4)n(Cc4ccccc4)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(CCCN4CCOCC4)c3nc12,1,100.0,1.0
+Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccn4)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(C(C)C)c3nc12,1,100.0,0.0
+Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(C(C)C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(CCOCCO)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(CCc4ccccc4)c3nc12,1,100.0,
+Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(N(C)C)cc4)n(C)c3nc12,0,0.0,
+Cc1cccn2c(=O)c3cc(C(N)=S)c(=N)n(CCCOC(C)C)c3nc12,1,100.0,0.0
+Cc1cccn2c(N)c(-c3ccccc3)nc12,0,0.0,
+Cc1cccn2cc(-c3ccc(F)cc3)nc12,0,0.0,
+Cc1cccn2cc(-c3ccccc3)nc12,0,0.0,
+Cc1cccn2cc(CCNC(=O)c3ccc(Br)o3)nc12,0,0.0,
+Cc1cccn2cc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12,0,0.0,
+Cc1cccn2cc(CNC(=O)C3CCCCC3)nc12,0,0.0,
+Cc1cccn2cc(CNC(=O)CC3CCCC3)nc12,0,0.0,
+Cc1cccn2cc(CNC(=O)c3ccco3)nc12,0,0.0,
+Cc1cccn2cc(CNc3ccccc3)nc12,0,0.0,
+Cc1cccnc1-n1c(-c2ccco2)nc2ccccc2c1=O,0,0.0,
+Cc1cccnc1-n1c(CCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O,0,0.0,
+Cc1cccnc1-n1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O,0,0.0,
+Cc1cccnc1N(C(=O)Nc1ccccc1)C1=NCC(C)(C)S1,0,0.0,
+Cc1cccnc1NC(=O)C(C)Oc1ccccc1,0,0.0,
+Cc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1,0,0.0,
+Cc1cccnc1NC(=O)CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1cccnc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3,0,0.0,
+Cc1cccnc1NC(=O)Nc1ccc(F)cc1,0,0.0,
+Cc1cccnc1NC(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+Cc1cccnc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+Cc1cccnc1NC(=O)c1c(O)c2ccccc2n(C)c1=O,0,0.0,
+Cc1cccnc1NC(=O)c1ccc2nc(N)sc2c1,0,0.0,
+Cc1cccnc1NC1=NCC(C)S1,0,0.0,
+Cc1cccnc1NCC(O)COc1ccccc1,0,0.0,
+Cc1cccnc1NCc1ccc(O)c2ncccc12,0,0.0,
+Cc1cccnc1Nc1nc(-c2ccc(O)cc2O)cs1,0,0.0,
+Cc1ccn(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,0,0.0,
+Cc1ccn(CC(=O)O)c(=O)c1,0,0.0,
+Cc1ccn2c(NC3CCCCC3)c(C)nc2c1,0,0.0,
+Cc1ccn2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2c1,0,0.0,
+Cc1ccn2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nc2c1,0,0.0,
+Cc1ccn2cc(C(=O)Nc3ccc4c(c3)OCCO4)nc2c1,0,0.0,
+Cc1ccn2cc(C(=O)Nc3ccccc3N3CCOCC3)nc2c1,0,0.0,
+Cc1ccn2cc(C(=O)Nc3nnc(C)s3)nc2c1,0,0.0,
+Cc1ccn2cc(CCNC(=O)CC(C)(C)C)nc2c1,0,0.0,
+Cc1ccn2cc(CCNC(=O)c3ccc(Br)o3)nc2c1,0,0.0,
+Cc1ccn2cc(CNC(=O)c3ccc(Br)o3)nc2c1,0,0.0,
+Cc1ccn2cc(CNS(=O)(=O)c3ccc(Cl)s3)nc2c1,0,0.0,
+Cc1ccn2cc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1,0,0.0,
+Cc1ccnc(-n2c(-c3ccco3)nc3ccccc3c2=O)c1,0,0.0,
+Cc1ccnc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c1,0,0.0,
+Cc1ccnc(-n2sc3ccccc3c2=O)n1,0,0.0,
+Cc1ccnc(N(C(=O)c2cccs2)C(=O)c2cccs2)c1,0,0.0,
+Cc1ccnc(N2C(=O)c3ccccc3C2Nc2ccc3c(c2)OCCO3)c1,0,0.0,
+Cc1ccnc(N2C(=O)c3ccccc3C2Nc2cccc(C)c2C)c1,0,0.0,
+Cc1ccnc(N2C(=O)c3ccccc3C2Nc2ccccc2Cl)c1,0,0.0,
+Cc1ccnc(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)n1,0,0.0,
+Cc1ccnc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)n1,0,0.0,
+Cc1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1,0,0.0,
+Cc1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1,0,0.0,
+Cc1ccnc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1,0,0.0,
+Cc1ccnc(N2CCC(C(=O)Nc3nnc(C)s3)CC2)n1,0,0.0,
+Cc1ccnc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1,0,0.0,
+Cc1ccnc(N2CCCC(C(=O)Nc3nnc(C)s3)C2)n1,0,0.0,
+Cc1ccnc(N2CCN(C(=O)CSc3nc4ccccc4nc3N3CCCCC3)CC2)c1,0,0.0,
+Cc1ccnc(N2CCN(c3c4c(c(C#N)c5nc6ccccc6n35)CCC4)CC2)c1,0,0.0,
+Cc1ccnc(N2CCN(c3cc(C)c(C#N)c4nc5ccccc5n34)CC2)c1,1,100.0,
+Cc1ccnc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1,0,0.0,
+Cc1ccnc(NC(=O)C2CCC(CNc3c(N4CCCC4)c(=O)c3=O)CC2)c1,0,0.0,
+Cc1ccnc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,0,0.0,
+Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c1,0,0.0,
+Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1,0,0.0,
+Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1,0,0.0,
+Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC(C)(C)C)C2CCCC2)c1,0,0.0,
+Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)CC2CCCO2)c1,0,0.0,
+Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)Cc2ccc3c(c2)OCO3)c1,0,0.0,
+Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)c2ccc3c(c2)OCO3)c1,0,0.0,
+Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)c2cccc(C)c2C)c1,0,0.0,
+Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)Cc2ccc(F)cc2)c1,0,0.0,
+Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)Cc2ccco2)c1,0,0.0,
+Cc1ccnc(NC(=O)CCC2CCCCC2)c1,0,0.0,
+Cc1ccnc(NC(=O)CCC2COc3ccccc3O2)c1,0,0.0,
+Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1,0,0.0,
+Cc1ccnc(NC(=O)CCc2c(C)nc3ncnn3c2C)c1,0,0.0,
+Cc1ccnc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+Cc1ccnc(NC(=O)COC(=O)C2COc3ccccc3O2)n1,0,0.0,
+Cc1ccnc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1,0,0.0,
+Cc1ccnc(NC(=O)CSc2cc(=O)n(C)c3ccccc23)c1,0,0.0,
+Cc1ccnc(NC(=O)Nc2ccc(F)cc2)c1,0,0.0,
+Cc1ccnc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1,0,0.0,
+Cc1ccnc(NC(=O)Nc2cccc(F)c2)c1,0,0.0,
+Cc1ccnc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)c1,0,0.0,
+Cc1ccnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1,0,0.0,
+Cc1ccnc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1,0,0.0,
+Cc1ccnc(NC2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1,0,0.0,
+Cc1ccnc(NS(=O)(=O)c2ccc(N=CC3=C(O)CC(C)(C)CC3=O)cc2)n1,0,0.0,
+Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,0,0.0,
+Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3C(=O)O)cc2)n1,0,0.0,
+Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCNC3=O)cc2)n1,0,0.0,
+Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)n1,0,0.0,
+Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1,0,0.0,
+Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)n1,0,0.0,
+Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)n1,0,0.0,
+Cc1ccnc(NS(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+Cc1ccnc(NS(=O)(=O)c2ccccc2)n1,0,0.0,
+Cc1ccnc(NS(=O)(=O)c2cccs2)c1,0,0.0,
+Cc1ccnc(Nc2nc(-c3c(C)nc4sccn34)cs2)c1,0,0.0,
+Cc1ccnc(Nc2nc3ccccc3o2)n1,0,0.0,
+Cc1ccnc(SCC(=O)N2CCC(C(N)=O)CC2)n1,0,0.0,
+Cc1ccnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1,0,0.0,
+Cc1ccnc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)n1,0,0.0,
+Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1,0,0.0,
+Cc1ccnc(SCC(=O)O)n1,0,0.0,
+Cc1ccnc(SCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)n1,0,0.0,
+Cc1ccnc(SCCn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)n1,0,0.0,
+Cc1ccnc(SCCn2c(N(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)n1,0,0.0,
+Cc1ccnc(SCCn2c(N3CC(C)CC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1,0,0.0,
+Cc1ccnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1,0,0.0,
+Cc1ccnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1,0,0.0,
+Cc1ccnc(SCCn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1,0,0.0,
+Cc1ccnc(SCCn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)n1,0,0.0,
+Cc1ccnc(SCCn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1,0,0.0,
+Cc1ccnc(SCCn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1,0,0.0,
+Cc1ccnc(SCCn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1,0,0.0,
+Cc1ccnc(SCCn2c(N3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)n1,0,0.0,
+Cc1ccnc(SCCn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)n1,0,0.0,
+Cc1ccnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)n1,0,0.0,
+Cc1ccnc2c(N3C(=O)C4C5C=CC(C5)C4(C)C3=O)cccc12,0,0.0,
+Cc1ccnc2c(N3C(=O)C4C5C=CC(C5)C4C3=O)cccc12,0,0.0,
+Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1,0,0.0,
+Cc1ccnc2ccc(-c3nc4ccccc4o3)cc12,0,0.0,
+Cc1ccnc2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)nn12,0,0.0,
+Cc1ccnc2nc(C(=O)NC3=NCCS3)nn12,0,0.0,
+Cc1ccnc2nc(C(=O)OCCOc3cccc(Br)c3)nn12,0,0.0,
+Cc1ccnc2nc(C(=O)OCCOc3ccccc3)nn12,0,0.0,
+Cc1ccnn2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c12,0,0.0,
+Cc1ccoc1C(=O)NCCCNC(=O)c1occc1C,0,0.0,
+Cc1ccoc1C(=O)NCc1occc1C(=O)O,0,0.0,
+Cc1ccsc1-c1nc(CSCC(=O)N2CCN(c3ccccc3)CC2)c(C)o1,1,100.0,
+Cc1ccsc1-c1nc(CSCC(=O)NCCN2CCCC2)c(C)o1,1,100.0,1.0
+Cc1ccsc1-c1nc(CSCC(=O)NCc2ccc3c(c2)OCO3)c(C)o1,0,0.0,
+Cc1ccsc1/C=N/n1cnc2sc(C)c(C)c2c1=O,0,0.0,
+Cc1ccsc1/C=c1\sc2ncnn2c1=O,0,0.0,
+Cc1ccsc1C(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+Cc1ccsc1C(=O)Nc1ccc(C(=O)O)cc1,0,0.0,
+Cc1ccsc1C(=O)Nc1nnc(-c2ccco2)o1,0,0.0,
+Cc1ccsc1C(=O)OC1CCOC1=O,0,0.0,
+Cc1ccsc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+Cc1ccsc1C(=O)OCC(=O)N1CCOCC1,0,0.0,
+Cc1ccsc1C(=O)OCC(=O)NCC1CCCO1,0,0.0,
+Cc1ccsc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+Cc1ccsc1C(=O)OCC(=O)Nc1sccc1C(N)=O,0,0.0,
+Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(CC2CCCO2)c1C,0,0.0,
+Cc1ccsc1C(=O)OCc1csc(-c2ccccc2)n1,0,0.0,
+Cc1ccsc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)C1CC1,0,0.0,
+Cc1ccsc1C(C(=O)NC1CCCCC1)N(C(=O)c1csnn1)C1CC1,0,0.0,
+Cc1ccsc1C1C2=C(CC(C)(C)CC2=O)Nc2ncnn21,0,0.0,
+Cc1ccsc1C1C2=C(CCCC2=O)Nc2ncnn21,0,0.0,
+Cc1ccsc1C1C=C(c2cccc(Br)c2)Nc2ncnn21,0,0.0,
+Cc1ccsc1C1CC(=O)NC2=C1C(=O)CC(C)(C)C2,0,0.0,
+Cc1ccsc1C1NC(=O)c2c(sc3c2CCCC3)N1,0,0.0,
+Cc1ccsc1C1NC(=O)c2c(sc3c2CCN(C)C3)N1,0,0.0,
+Cc1ccsc1C1NC(=O)c2ccccc2N1,0,0.0,
+Cc1ccsc1C=Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1ccsc1C=Nc1ccc(O)cc1,0,0.0,
+Cc1ccsc1CNn1cnnc1SCc1ccccc1F,0,0.0,
+Cc1cn(-c2ccc(Br)cc2)[nH]c1=O,0,0.0,
+Cc1cn(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1,0,0.0,
+Cc1cn(C(=O)c2cccc(Br)c2)c(C)n1,0,0.0,
+Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O,0,0.0,
+Cc1cn(C2CC3OCC3O2)c(=O)[nH]c1=O,0,0.0,
+Cc1cn(C2OC(COC(=O)c3ccccc3)C(O)C2O)c(=O)[nH]c1=O,0,0.0,
+Cc1cn(CC2COC(C)(C)O2)c(=O)[nH]c1=O,0,0.0,
+Cc1cn(COC/C=C/c2ccccc2)c(=O)[nH]c1=O,0,0.0,
+Cc1cn(S(=O)(=O)c2ccc(Br)c3ccccc23)cn1,0,0.0,
+Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O,0,0.0,
+Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,0,0.0,
+Cc1cn2c(-c3ccc(Cl)cc3)nnc2s1,0,0.0,
+Cc1cn2c(-c3cccnc3)nnc2s1,0,0.0,
+Cc1cn2c(-c3ccncc3)nnc2s1,0,0.0,
+Cc1cn2c(nc1=O)OC1C(O)C(COC(=O)c3ccccc3)OC12,0,0.0,
+Cc1cn2nc(N)c3ccccc3c2n1,0,0.0,
+Cc1cnc(-c2nnc(N(C)C(=O)C3CCCO3)s2)cn1,0,0.0,
+Cc1cnc(-c2nnc(N(C)C(=O)C3CCOC3)s2)cn1,0,0.0,
+Cc1cnc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1,0,0.0,
+Cc1cnc(-c2nnc(N(C)C(=O)c3cccnc3)s2)cn1,0,0.0,
+Cc1cnc(-c2nnc(N(C)C(=O)c3ccncc3)s2)cn1,0,0.0,
+Cc1cnc(-c2nnc(N(C)C(=O)c3cnccn3)s2)cn1,0,0.0,
+Cc1cnc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cn1,0,0.0,
+Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2ccc(-n3cnnn3)cc2)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2ccc(N3CCOCC3)cc2)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2ccc3c(c2)CCC3)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2cccc3cccnc23)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2cccc3ncccc23)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2ccccc2-c2ccc(C)o2)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NC3CCCC3)n2)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2ccccc2-n2cccc2)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2nnc(C(C)C)s2)cn1,0,0.0,
+Cc1cnc(C(=O)Nc2nnc(C)s2)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)N2CCc3ccccc3C2)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)NC(=O)NC(C)C)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)NC2CCCC(C)C2C)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)NC2CCCCC2)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cn1,0,0.0,
+Cc1cnc(C(=O)OCC(=O)c2csc(N3CCCCC3)n2)cn1,0,0.0,
+Cc1cnc(C)c(N2CCC(C(=O)NC(C)c3cccs3)CC2)n1,0,0.0,
+Cc1cnc(C)c(N2CCC(C(=O)NCc3ccco3)CC2)n1,0,0.0,
+Cc1cnc(C)c(N2CCC(C(=O)NCc3cccs3)CC2)n1,0,0.0,
+Cc1cnc(N)c2c(=O)oc3ccccc3c12,0,0.0,
+Cc1cnc(NC(=O)C(C)N2C(=O)C3CC=CCC3C2=O)s1,0,0.0,
+Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,0,0.0,
+Cc1cnc(NC(=O)C2CCCO2)s1,0,0.0,
+Cc1cnc(NC(=O)CCCSc2nc3ccccc3s2)s1,0,0.0,
+Cc1cnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1,0,0.0,
+Cc1cnc(NC(=O)CN2C(=O)C3CC=CCC3C2=O)s1,0,0.0,
+Cc1cnc(NC(=O)CN2CCN(c3ccccn3)CC2)s1,0,0.0,
+Cc1cnc(NC(=O)COc2ccccc2)s1,0,0.0,
+Cc1cnc(NC(=O)COc2ccccc2Cl)s1,0,0.0,
+Cc1cnc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)s1,0,0.0,
+Cc1cnc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)s1,0,0.0,
+Cc1cnc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)s1,0,0.0,
+Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)s1,0,0.0,
+Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3)o2)s1,0,0.0,
+Cc1cnc(NC(=O)CSc2nnc(-c3cccs3)n2C)s1,0,0.0,
+Cc1cnc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)s1,0,0.0,
+Cc1cnc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2CC2CCCO2)s1,0,0.0,
+Cc1cnc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)s1,0,0.0,
+Cc1cnc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)s1,0,0.0,
+Cc1cnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1,0,0.0,
+Cc1cnc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)s1,0,0.0,
+Cc1cnc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)s1,0,0.0,
+Cc1cnc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)s1,0,0.0,
+Cc1cnc(NC(=O)c2ccco2)s1,0,0.0,
+Cc1cnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1,0,0.0,
+Cc1cnc(Nc2nc3ccccc3o2)nc1C(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+Cc1cnc(SCCc2ccncc2)nc1C,0,0.0,
+Cc1cncn1CCc1nc2c3ccccc3nc(=S)n2[nH]1,0,0.0,
+Cc1cnn(-c2cc(Oc3ccccc3)ncn2)c1,0,0.0,
+Cc1cnn(-c2ccc3nnc(-c4ccc(Br)cc4)n3n2)c1,0,0.0,
+Cc1cnn(C(=O)c2ccccc2Br)c1,0,0.0,
+Cc1cnn(C(=O)c2oc3ccccc3c2C)c1,0,0.0,
+Cc1cnn(C(=S)NCC2CCCO2)c1,0,0.0,
+Cc1cnn(C(=S)NCCc2ccccc2)c1,0,0.0,
+Cc1cnn(C(=S)NCc2ccc(Cl)cc2)c1,0,0.0,
+Cc1cnn(C(=S)NCc2ccco2)c1,0,0.0,
+Cc1cnn(C2CCN(C)CC2)c1N,0,0.0,
+Cc1cnn(Cc2ccccc2)c1N,0,0.0,
+Cc1cnnc2c1-c1nonc1CC2,0,0.0,
+Cc1coc(C)c1C(=O)CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21,0,0.0,
+Cc1coc(C)c1C(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21,0,0.0,
+Cc1coc(NC(=O)CSc2nc(-c3ccncc3)cc(C(F)(F)F)c2C#N)n1,0,0.0,
+Cc1coc2c(C)c3oc(=O)c4c(c3cc12)CCC4,0,0.0,
+Cc1coc2c(C)c3oc(=O)c4c(c3cc12)CCCC4,0,0.0,
+Cc1coc2c(O)cc3c(c12)OC1(N2CCCCC2)C(=O)NCCCC31,0,0.0,
+Cc1coc2cc3oc(=O)c4c(c3cc12)CCC4,0,0.0,
+Cc1coc2cc3oc(=O)c4c(c3cc12)CCCC4,0,0.0,
+Cc1conc1NC(c1cccs1)c1ccc2cccnc2c1O,0,0.0,
+Cc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)n1,0,0.0,
+Cc1csc(-c2coc3cc(O)cc(C)c3c2=O)n1,0,0.0,
+Cc1csc(/C(=N\O)c2csc(C)n2)n1,0,0.0,
+Cc1csc(/C(C#N)=N/O)n1,0,0.0,
+Cc1csc(=N)n1-c1ccc(Cl)cc1,0,0.0,
+Cc1csc(=N)n1CC(=O)N1CCc2ccccc21,0,0.0,
+Cc1csc(=NC(=O)c2ccccc2)n1Cc1ccco1,0,0.0,
+Cc1csc(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1Cc1ccccc1,0,0.0,
+Cc1csc(=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1Cc1ccco1,0,0.0,
+Cc1csc(=O)n1CC(=O)OCc1cccc2ccccc12,0,0.0,
+Cc1csc(=O)n1CCC(=O)O,0,0.0,
+Cc1csc(C(C#N)C(=O)c2cc3ccccc3o2)n1,0,0.0,
+Cc1csc(C(C#N)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1,0,0.0,
+Cc1csc(C(C#N)C(=O)c2ccncc2)n1,0,0.0,
+Cc1csc(C2=C(O)CN(CCc3ccccc3)C2=N)n1,0,0.0,
+Cc1csc(CCc2nc(C)cs2)n1,0,0.0,
+Cc1csc(Cn2c(CN(C)C)nc3ccccc3c2=O)n1,0,0.0,
+Cc1csc(N(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2)n1,0,0.0,
+Cc1csc(N(C)C(=O)CSc2nnc(COc3ccccc3C)o2)n1,0,0.0,
+Cc1csc(N2CCc3ccccc32)n1,0,0.0,
+Cc1csc(NC(=O)C(CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1,0,0.0,
+Cc1csc(NC(=O)C(Cc2ccccc2)n2cccc2)n1,0,0.0,
+Cc1csc(NC(=O)C(NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)n1,0,0.0,
+Cc1csc(NC(=O)C2C3C=CC(O3)C2C(=O)O)n1,0,0.0,
+Cc1csc(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)n1,0,0.0,
+Cc1csc(NC(=O)C2CCCCC2C(=O)O)n1,0,0.0,
+Cc1csc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1,0,0.0,
+Cc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)n1,0,0.0,
+Cc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)n1,0,0.0,
+Cc1csc(NC(=O)C2CCCN2C(=O)OCC(C)C)n1,0,0.0,
+Cc1csc(NC(=O)C2CCCO2)n1,0,0.0,
+Cc1csc(NC(=O)C2CCN(C(=O)CSc3nnc(C)n3Cc3ccccc3)CC2)n1,0,0.0,
+Cc1csc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccco2)n1,0,0.0,
+Cc1csc(NC(=O)CCCSc2nc3ccccc3s2)n1,0,0.0,
+Cc1csc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)n1,0,0.0,
+Cc1csc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)n1,0,0.0,
+Cc1csc(NC(=O)CCc2nc3ccccc3s2)n1,0,0.0,
+Cc1csc(NC(=O)CCn2c(=O)oc3ccccc32)n1,0,0.0,
+Cc1csc(NC(=O)CCn2c(=O)sc3ccccc32)n1,0,0.0,
+Cc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1,0,0.0,
+Cc1csc(NC(=O)CN2CCCCCC2)n1,0,0.0,
+Cc1csc(NC(=O)CNC(=O)OCc2ccccc2)n1,0,0.0,
+Cc1csc(NC(=O)CNS(=O)(=O)c2cccs2)n1,0,0.0,
+Cc1csc(NC(=O)CSCC(=O)Nc2ccccc2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nc(C)cs2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)n1,1,100.0,0.0
+Cc1csc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)c(C)c2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nnc(-c3ccco3)n2C)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nnc(-c3cccs3)n2C)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2C)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)o2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)o2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nnc(C)n2Cc2ccco2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nnc(C)s2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2-c2ccccc2)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nnc3ncccn23)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nncn2C)n1,0,0.0,
+Cc1csc(NC(=O)CSc2nsc(SCC(=O)Nc3nc(C)cs3)c2C#N)n1,0,0.0,
+Cc1csc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)n1,0,0.0,
+Cc1csc(NC(=O)Cn2cnnn2)n1,0,0.0,
+Cc1csc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)n1,0,0.0,
+Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1,0,0.0,
+Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1,0,0.0,
+Cc1csc(NC(=O)c2c(O)c3c(n(CC(C)C)c2=O)CCCC3)n1,0,0.0,
+Cc1csc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)n1,0,0.0,
+Cc1csc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)n1,0,0.0,
+Cc1csc(NC(=O)c2cc3c(s2)CCC3)n1,0,0.0,
+Cc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n1,0,0.0,
+Cc1csc(NC(=O)c2cccc(Cn3nc(C)c(Br)c3C)c2)n1,0,0.0,
+Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1,0,0.0,
+Cc1csc(NC(=O)c2ccccc2C(=O)O)n1,1,100.0,0.0
+Cc1csc(NC(=O)c2ccccc2O)n1,0,0.0,
+Cc1csc(NC(=O)c2ccco2)n1,0,0.0,
+Cc1csc(NC(=O)c2cccs2)n1,0,0.0,
+Cc1csc(NC(=O)c2ccoc2C)n1,0,0.0,
+Cc1csc(NC(=O)c2cnc3ccccn3c2=O)n1,0,0.0,
+Cc1csc(NC(=O)c2cnccn2)n1,0,0.0,
+Cc1csc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1,0,0.0,
+Cc1csc(NC(=O)c2nc3nc(C)cc(C)n3n2)n1,0,0.0,
+Cc1csc(NC(=O)c2nc3nccc(C)n3n2)n1,0,0.0,
+Cc1csc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)n1,0,0.0,
+Cc1csc(OCc2ccc(C#N)cc2)n1,0,0.0,
+Cc1csc(SC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1,0,0.0,
+Cc1csc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1,0,0.0,
+Cc1csc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1,0,0.0,
+Cc1csc(SCC(=O)NC(=O)NCc2ccccc2)n1,0,0.0,
+Cc1csc(SCC(=O)NCc2cccs2)n1,0,0.0,
+Cc1csc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1,0,0.0,
+Cc1csc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1,0,0.0,
+Cc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1,0,0.0,
+Cc1csc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1,0,0.0,
+Cc1csc(SCC(=O)Nc2cccc3nsnc23)n1,0,0.0,
+Cc1csc(SCC(=O)Nc2ccccn2)n1,0,0.0,
+Cc1csc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1,0,0.0,
+Cc1csc(SCC(=O)Nc2nc3ccccc3s2)n1,0,0.0,
+Cc1csc(SCC(=O)O)n1,0,0.0,
+Cc1csc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)n1,0,0.0,
+Cc1csc(SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1,0,0.0,
+Cc1csc(SCCN2C(=O)c3ccccc3C2=O)n1,0,0.0,
+Cc1csc(SCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)n1,0,0.0,
+Cc1csc(SCCn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1,0,0.0,
+Cc1csc(SCCn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1,1,100.0,
+Cc1csc(SCCn2c(N3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)n1,0,0.0,
+Cc1csc(SCc2c(C(=O)O)oc3ccccc23)n1,0,0.0,
+Cc1csc(SCc2ccccc2C(=O)O)n1,0,0.0,
+Cc1csc(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1,0,0.0,
+Cc1csc(SCc2nnc(-c3ccccc3Br)o2)n1,0,0.0,
+Cc1csc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)n1,0,0.0,
+Cc1csc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)n1,0,0.0,
+Cc1csc2c(=O)n3c(nc12)CCCCC3,0,0.0,
+Cc1csc2c(C#N)c(=O)c3c(n12)CCC3,0,0.0,
+Cc1csc2nc(=O)c(-c3ccccc3)nn12,0,0.0,
+Cc1csc2nc(=O)c(-c3ccccc3N)nn12,0,0.0,
+Cc1csc2nc(=O)c3ccccc3n12,0,0.0,
+Cc1csc2nc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)cn12,1,100.0,0.0
+Cc1csc2nc(CCNS(=O)(=O)c3cccs3)cn12,0,0.0,
+Cc1csc2nc(CNC(=O)C3CC=CCC3C(=O)O)cn12,0,0.0,
+Cc1csc2nc(CNC(=O)C3CCCCC3)cn12,0,0.0,
+Cc1csc2nc(CNC(=O)CCC(=O)O)cn12,0,0.0,
+Cc1csc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)cn12,0,0.0,
+Cc1csc2nc(CNC(=O)c3ccco3)cn12,0,0.0,
+Cc1csc2nc(CNS(=O)(=O)N(C)C)cn12,0,0.0,
+Cc1csc2nc(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)cn12,0,0.0,
+Cc1csc2nc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)cn12,0,0.0,
+Cc1csc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)cn12,0,0.0,
+Cc1csc2nc(CNS(=O)(=O)c3cccnc3)cn12,0,0.0,
+Cc1csc2nc(CSc3ccc(Cl)cc3)cn12,0,0.0,
+Cc1csc2nc(CSc3nc4ccccc4o3)c(Br)n12,0,0.0,
+Cc1csc2nc(CSc3nc4ccccc4o3)cn12,0,0.0,
+Cc1csc2nc(CSc3nncn3-c3ccccc3)c(Br)n12,0,0.0,
+Cc1csc2nc3ccccc3c(=O)n12,0,0.0,
+Cc1csc2ncc(C(=O)N3CCc4ccccc43)c(=O)n12,0,0.0,
+Cc1csc2ncc(C(=O)NC(C)c3ccccc3)c(=O)n12,0,0.0,
+Cc1csc2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)n12,0,0.0,
+Cc1csc2ncc(C(=O)NCc3ccccc3Cl)c(=O)n12,0,0.0,
+Cc1csc2ncc(C(=O)NCc3ccccn3)c(=O)n12,0,0.0,
+Cc1csc2ncc(C(=O)NCc3ccco3)c(=O)n12,0,0.0,
+Cc1csc2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)n12,0,0.0,
+Cc1csc2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c(=O)n12,0,0.0,
+Cc1csc2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)n12,0,0.0,
+Cc1csc2ncc(C(=O)Nc3ccccc3Cl)c(=O)n12,0,0.0,
+Cc1csc2ncc(C(=O)Nc3ccccc3F)c(=O)n12,0,0.0,
+Cc1csc2ncc(C(=O)Nc3ccon3)c(=O)n12,0,0.0,
+Cc1csc2nnc(N)n12,0,0.0,
+Cc1n[nH]c(=O)c2cc3occc3n12,0,0.0,
+Cc1n[nH]c(=O)nc1N1CCN(c2ccccc2)CC1,0,0.0,
+Cc1n[nH]c(=O)nc1N1CCc2ccccc2C1,0,0.0,
+Cc1n[nH]c(=O)nc1NC1CCCCC1,0,0.0,
+Cc1n[nH]c(=O)nc1NCC1CCCO1,0,0.0,
+Cc1n[nH]c(=O)nc1NCCN(C)C,0,0.0,
+Cc1n[nH]c(=O)nc1NCc1ccc(Cl)cc1,0,0.0,
+Cc1n[nH]c(=O)nc1NCc1ccccc1,0,0.0,
+Cc1n[nH]c(=O)nc1NCc1ccccc1Cl,0,0.0,
+Cc1n[nH]c(=O)nc1NCc1ccco1,0,0.0,
+Cc1n[nH]c(=S)n(/N=C/c2ccccn2)c1=O,0,0.0,
+Cc1n[nH]c(C)c1-c1nc2ccccc2[nH]1,0,0.0,
+Cc1n[nH]c(C)c1C(=O)CC1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21,0,0.0,
+Cc1n[nH]c(C)c1CCN,0,0.0,
+Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCC(N)=O)n2n1,0,0.0,
+Cc1n[nH]c(C)c1Cc1ccc(C(=O)O)cc1,0,0.0,
+Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(N4CCCCCC4)ccc(c23)C1=O,1,100.0,
+Cc1n[nH]c(C)c1N1C(=O)c2cccc3cc(Br)cc(c23)C1=O,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(C(C)C)cc1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)C)cc1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)O)CC1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc32)C1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCc3ccccc32)C1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NCC2COc3ccccc3O2)C1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2cccs2)C1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc3c(c2)OCCO3)C1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nccs2)C1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCCCCC1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C2CCCCC2)CC1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2ccccc21,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)NCCc1ccc(Cl)cc1,0,0.0,
+Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)OCCO2,1,100.0,
+Cc1n[nH]c(C)c1SCC(=O)Nc1ccc(F)cc1,0,0.0,
+Cc1nc(-c2c(-c3ccc(O)cc3O)noc2C(F)(F)F)cs1,0,0.0,
+Cc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)cs1,0,0.0,
+Cc1nc(-c2ccc(C(=O)O)cc2)cs1,0,0.0,
+Cc1nc(-c2ccc(NC(=O)c3cccs3)cc2)cs1,0,0.0,
+Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1,0,0.0,
+Cc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1,0,0.0,
+Cc1nc(-c2ccc3c(c2)OCO3)cs1,0,0.0,
+Cc1nc(-c2cccc(-c3noc(C)n3)c2)no1,0,0.0,
+Cc1nc(-c2cccc(N)c2)cs1,0,0.0,
+Cc1nc(-c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)cs1,0,0.0,
+Cc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1,0,0.0,
+Cc1nc(-c2ccccc2)cc(=O)[nH]1,0,0.0,
+Cc1nc(-c2ccccc2)cc(N2CCCC2)n1,0,0.0,
+Cc1nc(-c2ccccc2)nc2[nH]c(=O)n(-c3ccccc3)c(=O)c12,0,0.0,
+Cc1nc(-c2ccccc2)nc2[nH]c(C(C)C)cc(=O)c12,0,0.0,
+Cc1nc(-c2ccccc2)sc1C(N)=O,0,0.0,
+Cc1nc(-c2ccccc2O)n(S(=O)(=O)N(C)C)n1,0,0.0,
+Cc1nc(-c2cn[nH]c2)c2cc(C)oc2n1,0,0.0,
+Cc1nc(-c2cnn(-c3ccccc3)c2)c2cc(C)oc2n1,0,0.0,
+Cc1nc(-c2coc3cc(OCC(=O)O)ccc3c2=O)cs1,0,0.0,
+Cc1nc(-n2cc(F)c(=O)[nH]c2=O)c2nc(C)oc2n1,0,0.0,
+Cc1nc(-n2nnc3ccccc32)c2c3c(sc2n1)CCCC3,0,0.0,
+Cc1nc(/C=[N+](\[O-])C(C)(C)/C=N/O)n(O)c1C,0,0.0,
+Cc1nc(/N=C(\N)Nc2ccccc2)nc2ccccc12,0,0.0,
+Cc1nc(/N=C\N(C)C)sc1C(=O)Nc1ccccc1,0,0.0,
+Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1,0,0.0,
+Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(O)c(C(=O)O)c1,0,0.0,
+Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1,0,0.0,
+Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1cccc(C(=O)O)c1,0,0.0,
+Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1C(=O)O,0,0.0,
+Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1O,0,0.0,
+Cc1nc(=O)c(-c2ccccc2)c(C)n1CC1CCCO1,0,0.0,
+Cc1nc(=O)c(-c2ccccc2)c(C)n1CCCO,0,0.0,
+Cc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccccc1,0,0.0,
+Cc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccco1,0,0.0,
+Cc1nc(=O)cc(-c2ccccc2)n1-c1ccccc1,0,0.0,
+Cc1nc(=S)n(-c2ccccc2)[nH]1,0,0.0,
+Cc1nc(C(C)(C)O)n(-c2ccccc2)n1,0,0.0,
+Cc1nc(C)c(-c2ccccc2)c(=O)[nH]1,0,0.0,
+Cc1nc(C)c(-c2csc(NCc3ccccc3)n2)s1,0,0.0,
+Cc1nc(C)c(-c2csc(NCc3ccco3)n2)s1,0,0.0,
+Cc1nc(C)c(-c2csc(Nc3cccnc3)n2)s1,0,0.0,
+Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)C2c2ccco2)s1,0,0.0,
+Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)C2c2ccc(Cl)cc2)s1,0,0.0,
+Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)C2c2ccccc2)s1,0,0.0,
+Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c2ccccc2)s1,0,0.0,
+Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c2cccs2)s1,0,0.0,
+Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)s1,0,0.0,
+Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccco2)s1,0,0.0,
+Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2cccs2)s1,0,0.0,
+Cc1nc(C)c(C(=O)NCc2ccc(Cl)cc2)o1,0,0.0,
+Cc1nc(C)c(C(=O)NCc2ccccc2Cl)o1,0,0.0,
+Cc1nc(C)c(C(=O)Nc2ccc(C)c(F)c2)o1,0,0.0,
+Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)o1,0,0.0,
+Cc1nc(C)c(C(=O)Nc2cccc(C)c2C)o1,0,0.0,
+Cc1nc(C)c(C(=O)Nc2cccc(Cl)c2)o1,0,0.0,
+Cc1nc(C)c(C(=O)Nc2ccccc2)s1,0,0.0,
+Cc1nc(C)c(C(=O)Nc2ccccc2-c2ccccc2)o1,0,0.0,
+Cc1nc(C)c(C(=O)Nc2nc3c(C)cccc3s2)o1,0,0.0,
+Cc1nc(C)c(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)s1,0,0.0,
+Cc1nc(C)c(NC(=O)N2CCc3ccccc32)cc1NC(=O)N1CCc2ccccc21,0,0.0,
+Cc1nc(C)c2c(=O)cc(-c3ccccc3)[nH]c2n1,0,0.0,
+Cc1nc(C)c2c(c1C(F)(F)F)-c1ccccc1C2(F)F,0,0.0,
+Cc1nc(C)n(C(=O)N(c2ccccc2)c2ccccc2)n1,0,0.0,
+Cc1nc(C)n(C(C)CC(=O)O)n1,0,0.0,
+Cc1nc(C)n(CC(O)COc2ccc(C(=O)c3ccccc3)cc2)n1,0,0.0,
+Cc1nc(C)n(CC(O)COc2ccc3c(c2)CCC3)n1,0,0.0,
+Cc1nc(C)n(CC(O)COc2ccc3cc(Br)ccc3c2)n1,0,0.0,
+Cc1nc(C)n(CC(O)COc2ccc3ccccc3c2)n1,0,0.0,
+Cc1nc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1,0,0.0,
+Cc1nc(CC(=O)N2CCN(c3cccc(C)c3C)CC2)cs1,0,0.0,
+Cc1nc(CC(=O)Nc2nc(-c3ccccc3)cs2)cs1,0,0.0,
+Cc1nc(CC(=O)Nc2nc(C(C)(C)C)cs2)cs1,0,0.0,
+Cc1nc(CC(=O)O)c(-c2ccccc2)s1,0,0.0,
+Cc1nc(CC(=O)c2c(C)cc(O)cc2O)cs1,0,0.0,
+Cc1nc(CCNC(=O)COc2ccccc2)cs1,0,0.0,
+Cc1nc(CCNC(=O)Cc2ccccc2)cs1,0,0.0,
+Cc1nc(CCNC(=O)c2ccccc2)cs1,0,0.0,
+Cc1nc(CCNC(=O)c2cccs2)cs1,0,0.0,
+Cc1nc(CCNS(=O)(=O)c2cccs2)cs1,0,0.0,
+Cc1nc(CN2CCCC2=NC#N)n(-c2ccccc2)n1,0,0.0,
+Cc1nc(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)cs1,0,0.0,
+Cc1nc(CNS(=O)(=O)c2cc(C)c(C)cc2C)cs1,0,0.0,
+Cc1nc(CNS(=O)(=O)c2cc(F)ccc2F)cs1,0,0.0,
+Cc1nc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cs1,0,0.0,
+Cc1nc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)cs1,0,0.0,
+Cc1nc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cs1,0,0.0,
+Cc1nc(CNS(=O)(=O)c2ccc3ccccc3c2)cs1,0,0.0,
+Cc1nc(CNS(=O)(=O)c2cccc(F)c2)cs1,0,0.0,
+Cc1nc(CNS(=O)(=O)c2ccccc2F)cs1,0,0.0,
+Cc1nc(CNS(=O)(=O)c2cccnc2)cs1,0,0.0,
+Cc1nc(COC(=O)c2c(C)nn(-c3ccccc3)c2C)cs1,0,0.0,
+Cc1nc(COC(=O)c2ccc(CO)cc2)cs1,0,0.0,
+Cc1nc(COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1,0,0.0,
+Cc1nc(CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cs1,0,0.0,
+Cc1nc(CSc2nnc(C)s2)cs1,0,0.0,
+Cc1nc(CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cs1,0,0.0,
+Cc1nc(CSc2nnc3scc(-c4ccccc4)n23)cs1,0,0.0,
+Cc1nc(Cc2nnc(SCc3nc(N)nc(Nc4ccccc4C)n3)o2)cs1,0,0.0,
+Cc1nc(N(C)C)c2sc(=S)n(C)c2n1,0,0.0,
+Cc1nc(N)[nH]c(=O)c1CCC(=O)OCC(C)C,0,0.0,
+Cc1nc(N)c(C#N)c(-c2ccccc2)c1C,0,0.0,
+Cc1nc(N)c(C#N)c(-c2cccnc2)c1C,0,0.0,
+Cc1nc(N)nc(C)c1Cc1ccccc1,0,0.0,
+Cc1nc(N)sc1-c1csc(N(C)c2ccc(O)cc2)n1,0,0.0,
+Cc1nc(N)sc1-c1csc(Nc2ccc(Cl)cn2)n1,0,0.0,
+Cc1nc(N)sc1-c1csc(Nc2ccccc2)n1,0,0.0,
+Cc1nc(N)sc1-c1csc(Nc2ccccn2)n1,0,0.0,
+Cc1nc(N)sc1-c1nnc(SCC(=O)Nc2nccs2)n1C,0,0.0,
+Cc1nc(N)sc1Cc1ccc2c(c1)OCO2,0,0.0,
+Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)C2c2ccco2)sc1C,0,0.0,
+Cc1nc(N2CCC(C(N)=O)CC2)c2nnn(Cc3ccccc3)c2n1,0,0.0,
+Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)O)sc2n1,0,0.0,
+Cc1nc(N2CCC(C)CC2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(N2CCC3(CC2)OCCO3)c2nnn(Cc3ccccc3F)c2n1,0,0.0,
+Cc1nc(N2CCCC2)c2ccsc2n1,0,0.0,
+Cc1nc(N2CCCC2)c2nnn(Cc3ccccc3Cl)c2n1,0,0.0,
+Cc1nc(N2CCCC2C(=O)O)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(N2CCCCC2)c2sc(=S)n(C)c2n1,0,0.0,
+Cc1nc(N2CCN(C(=O)CCC(=O)O)CC2)c2c(C)c(C)sc2n1,0,0.0,
+Cc1nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCC3,1,100.0,0.0
+Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1C,0,0.0,
+Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1C(=O)CCC2,0,0.0,
+Cc1nc(N2CCN(C)CC2)[nH]c(=O)c1Cc1cccc2ccccc12,0,0.0,
+Cc1nc(N2CCN(C)CC2)c2c(C)c(C(=O)Nc3ccc(F)cc3)sc2n1,0,0.0,
+Cc1nc(N2CCN(C)CC2)c2sc(=S)n(-c3ccccc3)c2n1,0,0.0,
+Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)CC(c1ccco1)C2,0,0.0,
+Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1C,0,0.0,
+Cc1nc(N2CCN(Cc3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CC(C)C2,0,0.0,
+Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CC(c1ccco1)C2,0,0.0,
+Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CCC2,0,0.0,
+Cc1nc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2c(C)c(C)sc2n1,0,0.0,
+Cc1nc(N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c2c3c(sc2n1)CCCC3,0,0.0,
+Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1cccc2ccccc12,0,0.0,
+Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1,0,0.0,
+Cc1nc(N2CCN(c3ccccc3)CC2)c2c3c(sc2n1)CCC3,0,0.0,
+Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(C)C2,0,0.0,
+Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(c1ccccc1)C2,0,0.0,
+Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CCC2,0,0.0,
+Cc1nc(N2CCN(c3ncccn3)CC2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(C)C,0,0.0,
+Cc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+Cc1nc(N2CCOCC2)c2cc(-c3ccccc3)sc2n1,0,0.0,
+Cc1nc(N2CCOCC2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(N2CCc3ccccc32)[nH]c(=O)c1CCC(C)C,0,0.0,
+Cc1nc(N2CCc3ccccc3C2)[nH]c(=O)c1CCC(C)C,0,0.0,
+Cc1nc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)sc1C,0,0.0,
+Cc1nc(NC(=O)C2CC2)sc1C(=O)N1CCCCC1,0,0.0,
+Cc1nc(NC(=O)C2CC3CCCC(C2)C3=O)sc1C,0,0.0,
+Cc1nc(NC(=O)CCC(=O)O)sc1C(=O)N(C)C,0,0.0,
+Cc1nc(NC(=O)CCCC(=O)Nc2nc(C)c(C)s2)sc1C,0,0.0,
+Cc1nc(NC(=O)CN2CCOCC2)sc1-c1ccccc1,0,0.0,
+Cc1nc(NC(=O)COC(=O)C(NC(=O)c2ccco2)C(C)C)c(Cl)cc1Cl,0,0.0,
+Cc1nc(NC(=O)CSc2ccccc2N)sc1C,0,0.0,
+Cc1nc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)sc1C,0,0.0,
+Cc1nc(NC(=O)CSc2nc3cccnc3n2Cc2ccccc2)sc1C,0,0.0,
+Cc1nc(NC(=O)CSc2nnc(C)n2CC2CCCO2)sc1C,0,0.0,
+Cc1nc(NC(=O)CSc2nnnn2Cc2ccccc2)sc1C,0,0.0,
+Cc1nc(NC(=O)c2cc3c(s2)CCCCC3)sc1C(=O)N(C)C,0,0.0,
+Cc1nc(NC(=O)c2ccc(Br)s2)sc1C(=O)N(C)C,0,0.0,
+Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(N)n1,0,0.0,
+Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCc2ccco2)n1,0,0.0,
+Cc1nc(NC(=O)c2cccnc2)ccc1Br,0,0.0,
+Cc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Br)cc1,0,0.0,
+Cc1nc(NC(=O)c2csc3ccccc23)sc1C,0,0.0,
+Cc1nc(NC(=O)c2oc3ccccc3c2C)sc1C(=O)N(C)C,0,0.0,
+Cc1nc(NC(C)C(=O)O)c2nc(C)oc2n1,0,0.0,
+Cc1nc(NC(C)C)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(NC(C)c2ccccc2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(NC(CC(C)C)C(=O)O)c2nc(C)oc2n1,0,0.0,
+Cc1nc(NC2=NCN(C3CCCCC3C)CN2)nc2ccccc12,1,100.0,1.0
+Cc1nc(NC2=NCN(CC3CCCO3)CN2)nc2ccccc12,1,100.0,1.0
+Cc1nc(NC2=NCN(CCCN3CCOCC3)CN2)nc2c(C)cccc12,1,100.0,1.0
+Cc1nc(NC2=NCN(CCN3CCOCC3)CN2)nc2c(C)cccc12,0,0.0,
+Cc1nc(NC2=NCN(CCc3ccccc3)CN2)nc2c(C)cccc12,0,0.0,
+Cc1nc(NC2=NCN(CCc3ccccc3)CN2)nc2ccccc12,1,100.0,
+Cc1nc(NC2=NCN(Cc3ccc4c(c3)OCO4)CN2)nc2ccccc12,1,100.0,
+Cc1nc(NC2=NCN(Cc3ccccc3)CN2)nc2ccccc12,0,0.0,
+Cc1nc(NC2=NCN(Cc3cccnc3)CN2)nc2c(C)cccc12,0,0.0,
+Cc1nc(NC2=NCN(Cc3cccnc3)CN2)nc2ccccc12,1,100.0,
+Cc1nc(NC2=NCN(Cc3ccco3)CN2)nc2ccccc12,1,100.0,
+Cc1nc(NCC2CCCO2)[nH]c(=O)c1CCC(C)C,0,0.0,
+Cc1nc(NCC2CCCO2)c2nnn(Cc3ccccc3)c2n1,0,0.0,
+Cc1nc(NCC2CCCO2)c2nnn(Cc3ccccc3Cl)c2n1,0,0.0,
+Cc1nc(NCC2CCCO2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(NCC2CCCO2)nc2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1nc(NCC2CCCO2)nc2c1C(=O)CC(C)C2,0,0.0,
+Cc1nc(NCCCN2CCOCC2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(NCCCO)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+Cc1nc(NCCCn2ccnc2)c2ccccc2n1,0,0.0,
+Cc1nc(NCCCn2ccnc2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(NCCN)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+Cc1nc(NCCN2CCOCC2)c2nnn(Cc3c(F)cccc3Cl)c2n1,0,0.0,
+Cc1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1,0,0.0,
+Cc1nc(NCCN2CCOCC2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(NCCNC(=O)c2ccco2)c2c(C)c(C)sc2n1,0,0.0,
+Cc1nc(NCCO)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+Cc1nc(NCCO)c2nnn(Cc3ccccc3F)c2n1,0,0.0,
+Cc1nc(NCCc2cnc[nH]2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(NCc2ccc3c(c2)OCO3)c2nnn(Cc3ccccc3)c2n1,0,0.0,
+Cc1nc(NCc2ccc3c(c2)OCO3)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(NCc2ccccc2)[nH]c(=O)c1CCC(C)C,0,0.0,
+Cc1nc(NCc2ccccc2)c(C(N)=O)c2c1COC(C)(C)C2,0,0.0,
+Cc1nc(NCc2ccccn2)c2ccccc2n1,0,0.0,
+Cc1nc(NCc2ccco2)[nH]c(=O)c1CCC(C)C,1,100.0,0.0
+Cc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2,0,0.0,
+Cc1nc(NCc2ccco2)c2c3c(sc2n1)CCC3,1,100.0,0.0
+Cc1nc(NCc2ccco2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(NCc2ccco2)nc2c1C(=O)CC(C)C2,0,0.0,
+Cc1nc(NS(=O)(=O)c2ccccc2)sc1NC(=O)OC(C)C,0,0.0,
+Cc1nc(NS(=O)(=O)c2ccccc2)sc1NC(=O)OCCN(C)C,0,0.0,
+Cc1nc(NS(=O)(=O)c2cccs2)c2c3c(sc2n1)CCC3,0,0.0,
+Cc1nc(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(Nc2ccc(F)cc2)[nH]c(=O)c1CCC(C)C,0,0.0,
+Cc1nc(Nc2ccc(S(N)(=O)=O)cc2)oc1C,0,0.0,
+Cc1nc(Nc2ccc3c(c2)OCCO3)c2nnn(Cc3ccccc3Cl)c2n1,0,0.0,
+Cc1nc(Nc2ccc3c(c2)OCCO3)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1C(=O)CC(C)C2,0,0.0,
+Cc1nc(Nc2ccccc2)[nH]c(=O)c1CCC(C)C,0,0.0,
+Cc1nc(Nc2ccncc2)c2oc3ccccc3c2n1,1,100.0,
+Cc1nc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)nc2ccccc12,0,0.0,
+Cc1nc(Nc2nc(=O)c3ccccc3n2C)nc2c(C)cccc12,0,0.0,
+Cc1nc(Nc2nc3ccccc3o2)nc2c1CCC2,0,0.0,
+Cc1nc(Nc2ncc3c(n2)CC(C)(C)CC3=O)nc2ccccc12,0,0.0,
+Cc1nc(Nc2ncc3c(n2)CCCC3=O)nc2ccccc12,0,0.0,
+Cc1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1,0,0.0,
+Cc1nc(S(=O)(=O)N(C)Cc2ccccc2)c(C#N)c(C)c1Cl,0,0.0,
+Cc1nc(S(=O)(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl,0,0.0,
+Cc1nc(S(=O)(=O)N2CCOCC2)c(C#N)c(C)c1Cl,0,0.0,
+Cc1nc(S(=O)(=O)NC2CCCCC2)c(C#N)c(C)c1Cl,0,0.0,
+Cc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccccc2)o1,0,0.0,
+Cc1nc(SC(C)C)[nH]c(=O)c1Cc1ccccc1,0,0.0,
+Cc1nc(SC2C=CS(=O)(=O)C2)n[nH]1,0,0.0,
+Cc1nc(SC2CC(=O)N(c3ccccc3)C2=O)nc2c1CCCC2,0,0.0,
+Cc1nc(SCC#N)c2c(C)c(C)sc2n1,0,0.0,
+Cc1nc(SCC#N)c2c3c(sc2n1)CCC3,0,0.0,
+Cc1nc(SCC(=O)CC(=O)OC(C)C)c(C#N)c(C)c1C,0,0.0,
+Cc1nc(SCC(=O)N(C)Cc2ccco2)c2c(C)c(C)sc2n1,0,0.0,
+Cc1nc(SCC(=O)N2CCC(C(N)=O)CC2)n[nH]1,0,0.0,
+Cc1nc(SCC(=O)N2CCCc3ccccc32)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2c(C)c(C)sc2n1,0,0.0,
+Cc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+Cc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(SCC(=O)N2CCOCC2)c2ccsc2n1,0,0.0,
+Cc1nc(SCC(=O)NCC2CCCO2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(SCC(=O)NCCc2ccccc2)n[nH]1,0,0.0,
+Cc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)c(C#N)c2c1CCCC2,0,0.0,
+Cc1nc(SCC(=O)NCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+Cc1nc(SCC(=O)NCc2ccco2)c2c(C)c(C)sc2n1,0,0.0,
+Cc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)CCCC3,0,0.0,
+Cc1nc(SCC(=O)NCc2ccco2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(SCC(=O)NCc2ccco2)nc(C)c1C,0,0.0,
+Cc1nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)[nH]c(=O)c1Cc1ccccc1,0,0.0,
+Cc1nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n[nH]1,0,0.0,
+Cc1nc(SCC(=O)Nc2cc(C)on2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+Cc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1,0,0.0,
+Cc1nc(SCC(=O)Nc2cc(C)on2)c2c3c(sc2n1)CCCC3,0,0.0,
+Cc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+Cc1nc(SCC(=O)Nc2ccc(C)c(F)c2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)c(C#N)c2c1CCCC2,0,0.0,
+Cc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1,0,0.0,
+Cc1nc(SCC(=O)Nc2cccc(F)c2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(SCC(=O)Nc2ccccc2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+Cc1nc(SCC(=O)Nc2ccnc3ccccc23)n[nH]1,0,0.0,
+Cc1nc(SCC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)n[nH]1,0,0.0,
+Cc1nc(SCC(=O)O)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(SCC(=O)OCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+Cc1nc(SCC(=O)c2c(C)[nH]c3ccccc23)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1,0,0.0,
+Cc1nc(SCC(=O)c2c[nH]c3ccccc23)n[nH]1,0,0.0,
+Cc1nc(SCC(=O)c2ccc(F)cc2)n[nH]1,0,0.0,
+Cc1nc(SCC(=O)c2ccccc2)c(C#N)c(-c2ccco2)c1C(=O)NCc1ccco1,0,0.0,
+Cc1nc(SCC(=O)c2ccccc2)n[nH]1,0,0.0,
+Cc1nc(SCC(C)C)[nH]c(=O)c1Cc1ccccc1,0,0.0,
+Cc1nc(SCC(N)=O)[nH]c(=O)c1Cc1ccc(OC(C)C)cc1,0,0.0,
+Cc1nc(SCCC(=O)O)c2ccccc2n1,0,0.0,
+Cc1nc(SCCCSc2n[nH]c(C)n2)n[nH]1,0,0.0,
+Cc1nc(SCCO)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(SCc2c(F)cccc2Cl)c2c(=O)n(C)c(=O)n(C)c2n1,0,0.0,
+Cc1nc(SCc2c(F)cccc2Cl)n[nH]1,0,0.0,
+Cc1nc(SCc2ccc(Br)cc2)[nH]c(=O)c1C,0,0.0,
+Cc1nc(SCc2cccc(F)c2)[nH]c(=O)c1C#N,0,0.0,
+Cc1nc(SCc2ccccc2)c(C(F)(F)F)c(=O)[nH]1,0,0.0,
+Cc1nc(SCc2ccccc2C)n[nH]1,0,0.0,
+Cc1nc(SCc2nc3ccccc3[nH]2)c2oc3ccccc3c2n1,0,0.0,
+Cc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)c2c3c(sc2n1)CCC3,0,0.0,
+Cc1nc(SCn2nnc3ccccc3c2=O)c2c(C)c(C)sc2n1,0,0.0,
+Cc1nc(SCn2nnc3ccccc3c2=O)nc(C)c1C,0,0.0,
+Cc1nc(Sc2cccn2C)c(C(F)(F)F)c(=O)[nH]1,0,0.0,
+Cc1nc(Sc2nnnn2-c2ccccc2)c(C#N)c(C)c1C,0,0.0,
+Cc1nc(Sc2nnnn2C)c2c3c(sc2n1)CCC3,0,0.0,
+Cc1nc2[nH]c(=O)c3c(n2n1)NC1=C(C(=O)CC(C)(C)C1)C3c1ccc(F)cc1,0,0.0,
+Cc1nc2[nH]c(=O)c3c(n2n1)NC1=C(C(=O)CC(C)(C)C1)C3c1ccccc1,0,0.0,
+Cc1nc2[nH]onc2c2nccc(=O)c12,0,0.0,
+Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1,1,100.0,1.0
+Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NC(C)CCc1ccco1,0,0.0,
+Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(N2CCOCC2)c1C,0,0.0,
+Cc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1Cl,0,0.0,
+Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)O,0,0.0,
+Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCOCC1,0,0.0,
+Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)NCc1ccco1,0,0.0,
+Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)O,0,0.0,
+Cc1nc2c(=O)n(C)c(=O)[nH]c2n1Cc1ccccc1,0,0.0,
+Cc1nc2c(=O)oc3ccccc3c2n1-c1ccccc1,0,0.0,
+Cc1nc2c(Br)c3nc(C(F)(F)F)[nH]c3c(Br)c2[nH]1,0,0.0,
+Cc1nc2c(C(=O)N3CCCC3)c[nH]n2c(=O)c1Cc1ccc(F)cc1Cl,0,0.0,
+Cc1nc2c(C(=O)N3CCCCC3)cnn2c(C)c1Cc1ccccc1F,0,0.0,
+Cc1nc2c(C(=O)N3CCN(c4ccccn4)CC3)cnn2c(C)c1Cc1cccc(Cl)c1,1,100.0,0.0
+Cc1nc2c(C(=O)NCCC3=CCCCC3)c[nH]n2c(=O)c1Cl,0,0.0,
+Cc1nc2c(C(=O)NCCc3ccccc3)c[nH]n2c(=O)c1Cl,0,0.0,
+Cc1nc2c(C(=O)NCc3ccc(F)cc3)c[nH]n2c(=O)c1Cl,0,0.0,
+Cc1nc2c(C(=O)NCc3ccc4c(c3)OCO4)c[nH]n2c(=O)c1Cc1ccccc1F,0,0.0,
+Cc1nc2c(C(=O)NCc3ccc4c(c3)OCO4)c[nH]n2c(=O)c1Cl,0,0.0,
+Cc1nc2c(C(=O)NCc3ccccc3)c[nH]n2c(=O)c1Cl,0,0.0,
+Cc1nc2c(C(=O)NCc3ccco3)cnn2c(C)c1Cc1ccc(F)cc1Cl,0,0.0,
+Cc1nc2c(C(=O)O)cnn2c(C)c1Cc1ccccc1F,0,0.0,
+Cc1nc2c(C)cccn2c1/C(O)=C1\C(=O)C(=O)N(CCN(C)C)C1c1ccncc1,0,0.0,
+Cc1nc2c(C)cccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)C1c1ccncc1,0,0.0,
+Cc1nc2c(F)c(F)c(C(F)(F)F)c(F)c2[nH]1,0,0.0,
+Cc1nc2c([nH]1)C1(CCN(Cc3ccccc3)CC1)C(C#N)=C(N)O2,0,0.0,
+Cc1nc2c([nH]c3ccc(Br)cc32)s1,0,0.0,
+Cc1nc2c(c(=O)n1CC1CCCO1)c1nc3ccccc3nc1n2CC(C)C,0,0.0,
+Cc1nc2c(c(=O)n1CC1CCCO1)c1nc3ccccc3nc1n2CCC(C)C,0,0.0,
+Cc1nc2c(c(=O)n1CC1CCCO1)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2,0,0.0,
+Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2,0,0.0,
+Cc1nc2c(c(=O)n1CCC1=CCCCC1)c1nc3ccccc3nc1n2/N=C/c1ccco1,0,0.0,
+Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2Cc1ccco1,0,0.0,
+Cc1nc2c(c(=O)n1Cc1ccco1)c1nc3ccccc3nc1n2Cc1ccccc1,0,0.0,
+Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1Cl,0,0.0,
+Cc1nc2c(c(N3CCOCC3)n1)OCC(=O)N2,0,0.0,
+Cc1nc2c(cc(Oc3ccc(S(=O)(=O)N4CCOCC4)cn3)c3ccsc32)s1,0,0.0,
+Cc1nc2c(ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)sc32)s1,0,0.0,
+Cc1nc2c(ccc3nc(NC(=O)c4ccc5c(c4)OCCO5)sc32)s1,0,0.0,
+Cc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc2c(c1)OCCO2,0,0.0,
+Cc1nc2c(n1O)CCC/C2=N\O,0,0.0,
+Cc1nc2c(nnn2Cc2ccccc2)c(=O)n1-c1ccccc1,0,0.0,
+Cc1nc2c(o1)CCc1ccccc1C2N1CCN(C)CC1,1,100.0,1.0
+Cc1nc2c(o1)CCc1ccccc1C2O,0,0.0,
+Cc1nc2c(s1)sc1ccccc12,0,0.0,
+Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CC(=O)NCc1ccco1,0,0.0,
+Cc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1,0,0.0,
+Cc1nc2c3c(-c4ccccc4)nc(N4CCOCC4)nc3nn2c(C)c1CCC(=O)O,0,0.0,
+Cc1nc2c3c4c(sc3n3c(SCC(=O)NCc5ccco5)nnc3n2n1)COC(C)(C)C4,0,0.0,
+Cc1nc2c3ccccc3[nH]c(=O)n2n1,0,0.0,
+Cc1nc2c3ccccc3n(CC#N)c(=O)n2n1,0,0.0,
+Cc1nc2c3ccccc3n(CC(=O)c3ccc(F)cc3)c(=O)n2n1,0,0.0,
+Cc1nc2c3cnn(-c4ccc(C)c(C)c4)c3ncn2n1,0,0.0,
+Cc1nc2c3cnn(-c4ccccc4)c3ncn2n1,0,0.0,
+Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1nc2cc(-c3ccc(F)cc3)nn2c(N2CCOCC2)c1C,0,0.0,
+Cc1nc2cc(-c3cccc(Cl)c3)nn2c(N2CCN(C(=O)c3ccco3)CC2)c1C,0,0.0,
+Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NC(C)CCc1ccco1,0,0.0,
+Cc1nc2cc(-c3cccc(F)c3)nn2c(N2CCOCC2)c1C,0,0.0,
+Cc1nc2cc(-c3ccccc3)ccc2o1,0,0.0,
+Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1nc2cc(-n3ccc(=O)cc3)ccc2n1-c1ccccc1,0,0.0,
+Cc1nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2n1-c1ccc(Br)cc1,0,0.0,
+Cc1nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2n1-c1cccc(F)c1,0,0.0,
+Cc1nc2cc(C(=O)NCCN3CCOCC3)ccc2n1-c1ccc(F)cc1F,0,0.0,
+Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1F,0,0.0,
+Cc1nc2cc(C(=O)O)ccc2n1-c1ccccc1,0,0.0,
+Cc1nc2cc(C(=O)O)ccc2s1,0,0.0,
+Cc1nc2cc(C(=O)OCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3)ccc2n1-c1ccccc1,0,0.0,
+Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)N2CCOCC2)CC1,0,0.0,
+Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2CCOCC2)CC1,0,0.0,
+Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)NC(C)(C)C)CC1,0,0.0,
+Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(Cc2nnnn2Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(Cc2nnnn2Cc2cccs2)CC1,0,0.0,
+Cc1nc2cc(CO)ccc2n1C,1,100.0,0.0
+Cc1nc2cc(CO)ccc2s1,0,0.0,
+Cc1nc2cc(Cl)c(Cl)cc2nc1C,0,0.0,
+Cc1nc2cc(Cl)ccc2n1CCO,0,0.0,
+Cc1nc2cc(F)ccc2n1C1CCN(Cc2nnnn2CCc2ccccc2)CC1,0,0.0,
+Cc1nc2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+Cc1nc2cc(N3CCCCC3)c(NC(=O)c3cccnc3)cc2c(=O)n1Cc1ccccc1,1,100.0,
+Cc1nc2cc(N3CCN(C)CC3)c(NC(=O)Cc3ccccc3)cc2c(=O)n1Cc1ccccc1,0,0.0,
+Cc1nc2cc(N3CCOCC3)c(NC(=O)C3CC3)cc2c(=O)n1Cc1ccccc1,0,0.0,
+Cc1nc2cc(NC(=O)COc3ccc(C#N)cc3)ccc2n1-c1ccccc1,0,0.0,
+Cc1nc2cc(NC(=O)N(C)c3ccc4ccccc4c3)ccc2o1,0,0.0,
+Cc1nc2cc(NC(=O)N3CC4(C)CC3CC(C)(C)C4)ccc2n1C,0,0.0,
+Cc1nc2cc(NC(=O)N3CCC(c4ccccc4)C3)ccc2n1C,0,0.0,
+Cc1nc2cc(NC(=O)N3CCN(c4ccccn4)CC3)ccc2o1,0,0.0,
+Cc1nc2cc(NC(=O)N3c4ccccc4CC3C)ccc2n1C,0,0.0,
+Cc1nc2cc(NC(=O)N3c4ccccc4CC3C)ccc2o1,0,0.0,
+Cc1nc2cc(NC(=O)NCCC3=CCCCC3)ccc2o1,0,0.0,
+Cc1nc2cc(NC(=O)NCc3ccc4c(c3)OCO4)ccc2o1,0,0.0,
+Cc1nc2cc(NC(=O)NCc3ccco3)ccc2n1C,0,0.0,
+Cc1nc2cc(NC(=O)NCc3ccco3)ccc2o1,0,0.0,
+Cc1nc2cc(NC(=O)Nc3ccc(N4CCOCC4)cc3)ccc2n1C,0,0.0,
+Cc1nc2cc(NC(=O)Nc3nccs3)ccc2n1C,0,0.0,
+Cc1nc2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc2n1C,0,0.0,
+Cc1nc2cc(O)ccc2n1C,0,0.0,
+Cc1nc2cc(S(=O)(=O)C(F)(F)F)ccc2s1,0,0.0,
+Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1-c1ccccc1,0,0.0,
+Cc1nc2cc(S(=O)(=O)N3CCC(C(=O)O)CC3)ccc2n1C1CCCC1,0,0.0,
+Cc1nc2cc3nc(C)sc3cc2s1,0,0.0,
+Cc1nc2ccc(-c3ccccc3)cc2o1,0,0.0,
+Cc1nc2ccc(-n3ccc(=O)cc3)cc2s1,0,0.0,
+Cc1nc2ccc(Br)cn2c(=O)c1Cl,0,0.0,
+Cc1nc2ccc(Br)cn2c1NC(C)(C)C,0,0.0,
+Cc1nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2s1,0,0.0,
+Cc1nc2ccc(C(=O)N3CCSCC3)cc2s1,0,0.0,
+Cc1nc2ccc(C(=O)O)cc2c2c1CC(C)S2,0,0.0,
+Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,0,0.0,
+Cc1nc2ccc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc2[nH]1,0,0.0,
+Cc1nc2ccc(CCO)cc2s1,0,0.0,
+Cc1nc2ccc(Cl)cc2nc(C)/c1=N\O,0,0.0,
+Cc1nc2ccc(Cl)cn2c1P(=S)(N1CCOCC1)N1CCOCC1,0,0.0,
+Cc1nc2ccc(F)cc2cc1C(=O)NC(C)C,0,0.0,
+Cc1nc2ccc(F)cc2cc1C(=O)NCC1CCCO1,0,0.0,
+Cc1nc2ccc(F)cc2cc1C(=O)NCc1ccco1,0,0.0,
+Cc1nc2ccc(N)cc2c(=O)n1Cc1ccc(Cl)cc1,0,0.0,
+Cc1nc2ccc(N)cc2s1,0,0.0,
+Cc1nc2ccc(N3C(=O)CCC3=O)cc2[nH]1,0,0.0,
+Cc1nc2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2s1,0,0.0,
+Cc1nc2ccc(NC(=O)Cc3cccs3)cc2s1,0,0.0,
+Cc1nc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2s1,0,0.0,
+Cc1nc2ccc(NC(=O)N3CCC(c4ccccc4)C3)cc2nc1C,0,0.0,
+Cc1nc2ccc(NC(=O)N3CCCCC3)cc2s1,0,0.0,
+Cc1nc2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc2s1,0,0.0,
+Cc1nc2ccc(NC(=O)N3CCOCC3)cc2s1,0,0.0,
+Cc1nc2ccc(NC(=O)N3CCSCC3)cc2nc1C,0,0.0,
+Cc1nc2ccc(NC(=O)N3CCSCC3)cc2s1,0,0.0,
+Cc1nc2ccc(NC(=O)NCc3ccco3)cc2s1,0,0.0,
+Cc1nc2ccc(NC(=O)c3c(-c4ccccc4)noc3C)cc2s1,0,0.0,
+Cc1nc2ccc(NC(=O)c3ccc(Cl)s3)cc2s1,0,0.0,
+Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2s1,0,0.0,
+Cc1nc2ccc(NC3=NCCCCC3)cc2s1,0,0.0,
+Cc1nc2ccc(Nc3nc4cc(S(=O)(=O)N5CCOCC5)ccc4o3)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc43)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc4C3)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)NCc3ccc4c(c3)OCO4)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCC(C)CC3)C(C)C)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCCC3)C(C)C)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCCCCC3)C(C)C)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCn4c3nc3ccccc34)C(C)C)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)NC3CCCC3)C(C)C)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)NCc3ccco3)C(C)C)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)NCc3cccs3)C(C)C)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NC(C(=O)Nc3nccs3)C(C)C)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)N(C)Cc3ccco3)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCC(C)CC3)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCC(N4CCCCC4)CC3)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCCC(C)C3)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCCCC3)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCN(c4ccccc4)CC3)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCN(c4ccccn4)CC3)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCOCC3)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCc4ccccc43)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCc4ccccc4C3)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)NCCN3CCCCC3C)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)NCCN3CCCCCC3)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)NCc3ccc4c(c3)OCO4)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)NCC(=O)O)cc2s1,0,0.0,
+Cc1nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2s1,0,0.0,
+Cc1nc2ccc3[nH]snc3c2n1,0,0.0,
+Cc1nc2ccc3ccccc3c2o1,0,0.0,
+Cc1nc2ccc3ccccc3c2s1,0,0.0,
+Cc1nc2ccc3nc(NC(=O)C4COc5ccccc5O4)sc3c2s1,0,0.0,
+Cc1nc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)N5CCOCC5)cc4)sc3c2s1,0,0.0,
+Cc1nc2ccc3nc(NC(=O)c4ccc5c(c4)OCCO5)sc3c2s1,0,0.0,
+Cc1nc2cccc(C(=O)NC3CCCCC3)c2o1,0,0.0,
+Cc1nc2cccc(C(=O)NCc3ccccc3)c2o1,0,0.0,
+Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1,0,0.0,
+Cc1nc2ccccc2c(=O)n1-c1cccc(O)c1,0,0.0,
+Cc1nc2ccccc2c(=O)n1-c1ccccn1,0,0.0,
+Cc1nc2ccccc2c(=O)n1-c1cccnc1,0,0.0,
+Cc1nc2ccccc2c(=O)n1-n1cnnc1,1,100.0,0.0
+Cc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2oc3c(c12)CCCC3,0,0.0,
+Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(N(C)C)cc1,0,0.0,
+Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1,0,0.0,
+Cc1nc2ccccc2c(=O)n1/N=C/c1ccccn1,0,0.0,
+Cc1nc2ccccc2c(=O)n1/N=C/c1ccncc1,0,0.0,
+Cc1nc2ccccc2c(=O)n1/N=C/c1cn(-c2ccccc2)nc1-c1cccs1,0,0.0,
+Cc1nc2ccccc2c(=O)n1C1CCCCCC1,0,0.0,
+Cc1nc2ccccc2c(=O)n1CC(=O)N1CCOCC1,0,0.0,
+Cc1nc2ccccc2c(=O)n1CCCO,0,0.0,
+Cc1nc2ccccc2c(=O)n1CCCn1ccnc1,0,0.0,
+Cc1nc2ccccc2c(=O)n1N,0,0.0,
+Cc1nc2ccccc2c(=O)n1NC(=O)C1CCCCC1,0,0.0,
+Cc1nc2ccccc2c(=O)n1NC(=O)Nc1ccccc1,0,0.0,
+Cc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2c(n(CC(C)C)c1=O)CCCC2,0,0.0,
+Cc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(C)c1=O,0,0.0,
+Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(F)cc1Cl,0,0.0,
+Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1Cl,0,0.0,
+Cc1nc2ccccc2c(=O)n1NCc1cc(Br)cs1,0,0.0,
+Cc1nc2ccccc2c(=O)n1NCc1cccs1,0,0.0,
+Cc1nc2ccccc2c(=O)n1NS(C)(=O)=O,0,0.0,
+Cc1nc2ccccc2c2c1C(=O)N(C(C)C)C2=O,0,0.0,
+Cc1nc2ccccc2c2c1C(=O)N(C)C2=O,0,0.0,
+Cc1nc2ccccc2c2c1C(=O)N(CCC1=CCCCC1)C2=O,0,0.0,
+Cc1nc2ccccc2c2nc(NC(=O)Cc3ccccc3)nn12,0,0.0,
+Cc1nc2ccccc2c2nc3ccccc3n12,0,0.0,
+Cc1nc2ccccc2c2oc(C(=O)N3CCC(N4CCCCC4)CC3)cc12,0,0.0,
+Cc1nc2ccccc2c2oc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12,0,0.0,
+Cc1nc2ccccc2c2oc(C(=O)N3CCN(C4CCCCC4)CC3)cc12,1,100.0,
+Cc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc43)cc12,0,0.0,
+Cc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc4C3)cc12,0,0.0,
+Cc1nc2ccccc2c2oc(C(=O)NC3CC3)cc12,0,0.0,
+Cc1nc2ccccc2c2oc(C(=O)NCC3CCCO3)cc12,0,0.0,
+Cc1nc2ccccc2c2oc(C(=O)NCC3COc4ccccc4O3)cc12,0,0.0,
+Cc1nc2ccccc2c2oc(C(=O)NCCCN3CCC(C)CC3)cc12,1,100.0,1.0
+Cc1nc2ccccc2c2oc(C(=O)NCCCN3CCCC3=O)cc12,0,0.0,
+Cc1nc2ccccc2c2oc(C(=O)NCCN3CCCCC3C)cc12,1,100.0,1.0
+Cc1nc2ccccc2c2oc(C(=O)NCCN3CCN(C)CC3)cc12,0,0.0,
+Cc1nc2ccccc2c2oc(C(=O)NCc3ccc4c(c3)OCO4)cc12,1,100.0,
+Cc1nc2ccccc2c2oc(C(=O)NCc3ccccn3)cc12,0,0.0,
+Cc1nc2ccccc2c2oc(C(=O)Nc3ccc4c(c3)OCCO4)cc12,0,0.0,
+Cc1nc2ccccc2cc1C(=O)NCc1ccco1,0,0.0,
+Cc1nc2ccccc2cc1O,0,0.0,
+Cc1nc2ccccc2n1-c1ccccc1,0,0.0,
+Cc1nc2ccccc2n1C1CCN(Cc2nnnn2CCc2ccccc2)CC1,0,0.0,
+Cc1nc2ccccc2n1CC(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+Cc1nc2ccccc2n1CC(=O)NCCN1CCCC1,0,0.0,
+Cc1nc2ccccc2n1CC(=O)NCc1ccccc1,0,0.0,
+Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+Cc1nc2ccccc2n1CC(O)Cn1c(C(F)(F)F)nc2ccccc21,0,0.0,
+Cc1nc2ccccc2n1CCC(=O)Nc1cccc(F)c1,0,0.0,
+Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)NCc3ccco3)n2n1,0,0.0,
+Cc1nc2ccccc2n1S(=O)(=O)N(C)C,0,0.0,
+Cc1nc2ccccc2n1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+Cc1nc2ccccc2n2c(O)c(CC(=O)O)cc12,0,0.0,
+Cc1nc2ccccc2nc1CSc1nncs1,0,0.0,
+Cc1nc2ccccc2nc1N1CCCCC1,0,0.0,
+Cc1nc2ccccc2nc1OCC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+Cc1nc2ccccc2nc1OCC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+Cc1nc2ccccc2nc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,0,0.0,
+Cc1nc2ccccn2c1-c1csc(NCc2ccco2)n1,0,0.0,
+Cc1nc2ccccn2c1-c1nnco1,0,0.0,
+Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCCN(C)C)C1c1ccc(Cl)cc1,0,0.0,
+Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCCN(C)C)C1c1ccc(F)cc1,0,0.0,
+Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCCn2ccnc2)C1c1ccncc1,0,0.0,
+Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCN(C)C)C1c1cccnc1,0,0.0,
+Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)C1c1cccnc1,0,0.0,
+Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)C1c1cccs1,0,0.0,
+Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)C1c1ccncc1,0,0.0,
+Cc1nc2ccccn2c1C(=O)NCCCN1CCOCC1,0,0.0,
+Cc1nc2ccccn2c1C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+Cc1nc2ccccn2c1C(=O)NCc1cccnc1,0,0.0,
+Cc1nc2ccccn2c1C(=O)c1ccccc1,0,0.0,
+Cc1nc2ccccn2c1P(=Nc1ccccc1)(N(C)C)N(C)C,0,0.0,
+Cc1nc2ccccn2c1P(=O)(N1CCCCC1)N1CCCCC1,0,0.0,
+Cc1nc2cncc(Br)c2n1C,0,0.0,
+Cc1nc2n(n1)C(c1ccccc1)C1=C(CC(c3ccco3)CC1=O)N2,0,0.0,
+Cc1nc2n(n1)CC(O)CS2,0,0.0,
+Cc1nc2n[nH]c(N)c2c2c1COC(C)(C)C2,0,0.0,
+Cc1nc2nc(-c3ccccc3)[nH]n2c(=O)c1Cc1ccccc1,0,0.0,
+Cc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1,0,0.0,
+Cc1nc2nc(-c3ccccc3)cn2nc1C,0,0.0,
+Cc1nc2nc(-c3ccccc3)nn2c(C)c1Cl,0,0.0,
+Cc1nc2nc(-c3cccnc3)[nH]n2c(=O)c1Cc1ccccc1,0,0.0,
+Cc1nc2nc(-c3cccnc3)nn2c(C)c1Cl,0,0.0,
+Cc1nc2nc(-c3ccco3)[nH]n2c(=O)c1Cc1ccccc1,0,0.0,
+Cc1nc2nc(-c3ccco3)nn2c(C)c1Cl,0,0.0,
+Cc1nc2nc(-c3cccs3)cn2nc1C,0,0.0,
+Cc1nc2nc(C)c(CCC(=O)N3CCC4(CC3)OCCO4)c(C)n2n1,0,0.0,
+Cc1nc2nc(C)c(CCC(=O)N3CCN(c4ccccn4)CC3)c(C)n2n1,0,0.0,
+Cc1nc2nc(C)c(CCC(=O)N3CCOCC3)c(C)n2n1,0,0.0,
+Cc1nc2nc(C)c(CCC(=O)N3CCc4ccccc43)c(C)n2n1,0,0.0,
+Cc1nc2nc(C)c(CCC(=O)NC(C)c3ccc4c(c3)OCCO4)c(C)n2n1,0,0.0,
+Cc1nc2nc(C)c(CCC(=O)NCCC3=CCCCC3)c(C)n2n1,0,0.0,
+Cc1nc2nc(C)c(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c(C)n2n1,0,0.0,
+Cc1nc2nc(C)c(CCC(=O)NCc3ccc4c(c3)OCO4)c(C)n2n1,0,0.0,
+Cc1nc2nc(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c(C)n2n1,0,0.0,
+Cc1nc2nc(C)n(-c3ccccc3)c2s1,0,0.0,
+Cc1nc2nc(COc3ccccc3)[nH]n2c(=O)c1C,0,0.0,
+Cc1nc2nc(COc3ccccc3)[nH]n2c(=O)c1Cl,0,0.0,
+Cc1nc2nc(COc3ccccc3)nn2c(C)c1Cl,0,0.0,
+Cc1nc2nc(CSc3nc4ccccc4s3)cc(=O)n2[nH]1,0,0.0,
+Cc1nc2nc(Cc3ccccc3)[nH]n2c(=O)c1Cc1ccccc1,0,0.0,
+Cc1nc2nc(Cc3ccccc3)[nH]n2c(=O)c1Cl,0,0.0,
+Cc1nc2nc(Cc3ccccc3)nn2c(C)c1Cl,0,0.0,
+Cc1nc2nc(SCC(=O)C(C)(C)C)[nH]c2cc1Br,0,0.0,
+Cc1nc2nc(SCC(=O)N3CCOCC3)nn2c(C)c1Cc1c(F)cccc1Cl,0,0.0,
+Cc1nc2nc(SCC(=O)N3CCOCC3)nn2c(C)c1Cc1ccccc1,0,0.0,
+Cc1nc2nc(SCC(=O)NCc3ccco3)nn2c(C)c1Cc1c(F)cccc1Cl,0,0.0,
+Cc1nc2nc(SCC(=O)NCc3ccco3)nn2c(C)c1Cc1ccccc1,0,0.0,
+Cc1nc2nc(SCC(N)=O)[nH]c2cc1Br,0,0.0,
+Cc1nc2nc3c(c(=O)n2[nH]1)CCC3,0,0.0,
+Cc1nc2nc3c(cn2n1)C(=O)CC(C)(C)C3,0,0.0,
+Cc1nc2nc3c(cn2n1)C(=O)CC(c1ccccc1)C3,0,0.0,
+Cc1nc2nc[nH]n2c(=O)c1CCC(C)C,0,0.0,
+Cc1nc2nc[nH]n2c(=O)c1NC(=O)CC12CC3CC(CC(C3)C1)C2,0,0.0,
+Cc1nc2nc[nH]n2c(=O)c1NC(=O)CCc1ccccc1,0,0.0,
+Cc1nc2nc[nH]n2c(=O)c1NC(=O)c1c(-c2ccccc2Cl)noc1C,0,0.0,
+Cc1nc2nc[nH]n2c(=O)c1NC(=O)c1cccc(OCC(C)C)c1,0,0.0,
+Cc1nc2nc[nH]n2c(=O)c1NS(C)(=O)=O,0,0.0,
+Cc1nc2ncccn2c1-c1csc(NCc2ccco2)n1,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)N1CCOCC1,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2ccccc21,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2ccccc2C1,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)NC(C)CCc1ccco1,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)NC(C)c1ccc2c(c1)OCCO2,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)NCCC1=CCCCC1,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccccc1,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccco1,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)Nc1csc(N)n1,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)O,0,0.0,
+Cc1nc2ncnn2c(C)c1CCC(=O)Oc1ccccc1,0,0.0,
+Cc1nc2ncnn2c(C)c1Cc1ccc(Cl)cc1F,0,0.0,
+Cc1nc2ncnn2c(N2CCC(C(=O)NC3CCCC3)CC2)c1Cc1ccccc1,0,0.0,
+Cc1nc2ncnn2c(N2CCC(C(=O)NCC3CCCO3)CC2)c1Cc1ccccc1,0,0.0,
+Cc1nc2ncnn2c(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)c1C,0,0.0,
+Cc1nc2ncnn2c(N2CCN(C(=O)Cc3cccs3)CC2)c1C,0,0.0,
+Cc1nc2ncnn2c(N2CCN(C(=O)c3cccc(F)c3)CC2)c1Cc1ccccc1,0,0.0,
+Cc1nc2ncnn2c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C,0,0.0,
+Cc1nc2ncnn2c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C,0,0.0,
+Cc1nc2ncnn2c(Nc2ccc3c(c2)OCCO3)c1C,0,0.0,
+Cc1nc2ncnn2c(Nc2ccc3c(c2)OCO3)c1Cc1ccccc1,0,0.0,
+Cc1nc2oc(C(=O)c3ccc(Br)cc3)c(N)c2c2c1COC(C)(C)C2,0,0.0,
+Cc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2,0,0.0,
+Cc1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1COC(C)(C)C2,0,0.0,
+Cc1nc2oc3c(NCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2,0,0.0,
+Cc1nc2oc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2,0,0.0,
+Cc1nc2oc3ccccc3c(=O)c2c(=O)n1-c1ccccc1,0,0.0,
+Cc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1,0,0.0,
+Cc1nc2sc(-c3ccccc3)cc2c(=O)n1-n1cccc1,0,0.0,
+Cc1nc2sc(C#N)c(N)c2c2c1CCCC2,0,0.0,
+Cc1nc2sc(C(=O)O)c(N)c2c2c1COC(C)(C)C2,0,0.0,
+Cc1nc2sc(C(c3ccc(Br)cc3)N3CC(C)OC(C)C3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccc(C(C)C)cc3)N3CCN(CCO)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccc(Cl)cc3)N3CC(C)OC(C)C3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccc(Cl)cc3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccc(Cl)cc3)N3CCN(CCO)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccc(Cl)cc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccc(Cl)cc3)N3CCOCC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccc(F)cc3)N3CCOCC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccc(F)c3)N3CC(C)OC(C)C3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccc(F)c3)N3CCC(C)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccc(F)c3)N3CCC(O)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccc(F)c3)N3CCCC(C)C3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccc(F)c3)N3CCCCC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccc(F)c3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccc(F)c3)N3CCOCC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccccc3)N3CC(C)OC(C)C3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccccc3)N3CCC(O)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccccc3)N3CCN(C)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccccc3)N3CCN(CCO)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccccc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccccc3)N3CCOCC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccco3)N3CC(C)OC(C)C3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccco3)N3CCC(C)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccco3)N3CCC(Cc4ccccc4)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccco3)N3CCC4(CC3)OCCO4)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccco3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccco3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccco3)N3CCN(c4ccccc4)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccco3)N3CCN(c4ccccc4F)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccco3)N3CCOCC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3ccco3)N3CCc4ccccc4C3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccs3)N3CC(C)CC(C)C3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccs3)N3CCC(C(N)=O)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccs3)N3CCC4(CC3)OCCO4)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccs3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccs3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccs3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccs3)N3CCN(c4ccccc4)CC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C(c3cccs3)N3CCOCC3)c(O)n2n1,0,0.0,
+Cc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0.0,
+Cc1nc2sc(C)c(C)c2c(=O)o1,0,0.0,
+Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2,0,0.0,
+Cc1nc2sc3c(c2c(=O)[nH]1)CCC3,0,0.0,
+Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccco1)CCCC3,0,0.0,
+Cc1nc2sc3c(c2c(=O)o1)CC(C)(C)OC3,0,0.0,
+Cc1nc2sc3c(c2c(=O)o1)CCC3,0,0.0,
+Cc1nc2sc3c(c2c(=O)o1)CCCC3,0,0.0,
+Cc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n12)CCCC3,1,100.0,0.0
+Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1ccco1,0,0.0,
+Cc1nc2scc(-c3ccccc3)c2c(=O)n1N,0,0.0,
+Cc1nc2scc(-c3ccccc3)c2c(=O)o1,0,0.0,
+Cc1nc2scc(-c3ccco3)c2c(=O)n1/N=C/N(C)C,0,0.0,
+Cc1nc2scc(-c3cccs3)c2c(=O)n1-n1cccc1,0,0.0,
+Cc1nc2scc(-c3cccs3)c2c(=O)o1,0,0.0,
+Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,1,100.0,1.0
+Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1,1,100.0,1.0
+Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1,0,0.0,
+Cc1nc2sccn2c1-c1nc(-c2cc3ccccc3o2)cs1,0,0.0,
+Cc1nc2sccn2c1-c1nc(C2CC2)c(C(=O)c2ccc3c(c2)NC(=O)CO3)s1,0,0.0,
+Cc1nc2sccn2c1P(c1c(C)nc2sccn12)c1c(C)nc2sccn12,0,0.0,
+Cc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1,0,0.0,
+Cc1ncc(CC(=O)n2cc(C(=O)c3cc(Cl)ccc3O)cn2)s1,0,0.0,
+Cc1ncc(CO)c2c1OC(C)(C)OC2,0,0.0,
+Cc1ncc(CO)c2cc(C(N)=O)c(=Nc3ccccc3)oc12,0,0.0,
+Cc1ncc(CO)c2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)oc12,0,0.0,
+Cc1ncc(CSc2nc3ccccc3[nH]2)c(N)n1,0,0.0,
+Cc1ncc(CSc2nnnn2-c2ccccc2)c(N)n1,0,0.0,
+Cc1ncc([N+](=O)[O-])n1CC(O)CCl,0,0.0,
+Cc1ncc([N+](=O)[O-])n1CCO,0,0.0,
+Cc1ncc2c(c1OC(=O)c1ccccc1)COC(C)(C)OC2,0,0.0,
+Cc1nccc2[nH]c(=O)c(C(=O)NC3CCCCC3C)cc12,0,0.0,
+Cc1nccc2[nH]c(=O)c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12,0,0.0,
+Cc1nccc2[nH]c(=O)c(C(=O)NCCCN(C)C3CCCCC3)cc12,0,0.0,
+Cc1nccn1-c1c2c(c(C#N)c3nc4ccccc4n13)CCC2,0,0.0,
+Cc1nccn1-c1c2c(c(C#N)c3nc4ccccc4n13)CCCC2,0,0.0,
+Cc1nccn1-c1cc(C(C)C)c(C#N)c2nc3ccccc3n12,0,0.0,
+Cc1nccn1-c1ccc(C(F)(F)F)cc1NC=O,0,0.0,
+Cc1nccn1-c1ncnc2sc3c(c12)CCCC3,0,0.0,
+Cc1nccn1CC(=O)O,0,0.0,
+Cc1nccn1CCC(=O)O,0,0.0,
+Cc1nccn1CCCN1C(=O)OC2(CCCCC2)C1(C)O,0,0.0,
+Cc1nccn1CCc1n[nH]c(=S)n1Cc1ccccc1,1,100.0,1.0
+Cc1nccn1S(=O)(=O)c1ccc(Br)cc1Br,0,0.0,
+Cc1ncn(C23CC4CC(CC(O)(C4)C2)C3)n1,0,0.0,
+Cc1ncoc1C(=O)NCc1ccccc1Cl,0,0.0,
+Cc1ncoc1C(=O)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+Cc1ncoc1C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+Cc1ncoc1C(=O)Nc1cccc(Cl)c1,0,0.0,
+Cc1ncoc1C(=O)Nc1cccc(Cl)c1C,0,0.0,
+Cc1ncoc1C(=O)Nc1ccccc1-c1ccccc1,0,0.0,
+Cc1ncoc1C(=O)Nc1ccccc1C(N)=O,0,0.0,
+Cc1ncoc1C(=O)Nc1nccs1,0,0.0,
+Cc1ncsc1C(=O)NCc1ccc(N2CCCC2=O)cc1,0,0.0,
+Cc1ncsc1C(=O)Nc1nc2c(s1)CC(C)CC2,0,0.0,
+Cc1ncsc1C(=O)Nc1nc2c(s1)CCCC2,0,0.0,
+Cc1ncsc1CCOC(=O)c1cccnc1,0,0.0,
+Cc1ncsc1CCSc1n[nH]c(=O)n1-c1ccccc1,0,0.0,
+Cc1ncsc1CCSc1nc2ccccc2c(=O)n1C,0,0.0,
+Cc1nn(-c2cc(C)c3ccccc3n2)c2c1CCC2,0,0.0,
+Cc1nn(-c2cc(Cl)ccc2N)c(=O)c2ccccc12,0,0.0,
+Cc1nn(-c2cc(N3CCCCC3)ccc2N)c(=O)c2ccccc12,0,0.0,
+Cc1nn(-c2cc(N3CCOCC3)ccc2N)c(=O)c2ccccc12,0,0.0,
+Cc1nn(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)c(C)c1Cl,0,0.0,
+Cc1nn(-c2ccc(C(=O)O)cc2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(-c2ccc(C(=O)O)cc2)c(N)c1-c1ccccc1,0,0.0,
+Cc1nn(-c2ccc(Cl)cc2)c(N)c1C(O)(CSc1nccn1C)C(F)(F)F,0,0.0,
+Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccc4c(c3)OCO4)cc12,0,0.0,
+Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12,0,0.0,
+Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCN(c4ccccn4)CC3)cc12,0,0.0,
+Cc1nn(-c2ccc(F)cc2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+Cc1nn(-c2ccc(F)cc2)c2c1cc(C#N)c1nc3ccccc3n12,0,0.0,
+Cc1nn(-c2ccc(F)cc2)c2nc(N)c(C#N)c(-c3cccs3)c12,0,0.0,
+Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCCCCC3)cc12,0,0.0,
+Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)O)cc12,0,0.0,
+Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OC3CCOC3=O)cc12,0,0.0,
+Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)N3CCC(C)CC3)cc12,0,0.0,
+Cc1nn(-c2ccc(F)cc2F)c2c1-c1nc(N3CCCC3)ncc1CC2,0,0.0,
+Cc1nn(-c2ccc3nnc(Br)n3n2)c(C)c1Br,0,0.0,
+Cc1nn(-c2cccc(C(=O)O)c2)c(C)c1Oc1ccccc1O,0,0.0,
+Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/n1cnnc1,0,0.0,
+Cc1nn(-c2cccc(Cl)c2)c2c1C(c1cccnc1)C(C#N)=C(N)O2,0,0.0,
+Cc1nn(-c2cccc(Cl)c2)c2c1C(c1ccncc1)C(C#N)=C(N)O2,0,0.0,
+Cc1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)O,0,0.0,
+Cc1nn(-c2ccccc2)c(=S)n1-c1ccccc1,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)O)[nH]n1,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1/C=N/O,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1nnc(-c2ccco2)o1,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1C(=O)OC/C(O)=C(\C#N)c1nc2ccccc2[nH]1,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NC(=O)NC1CCCCC1,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NCc1ccco1,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1CCC(=O)O,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1cccs1,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccs1,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1,0,0.0,
+Cc1nn(-c2ccccc2)c(C)c1P(=O)(c1ccccc1)N(C)C,0,0.0,
+Cc1nn(-c2ccccc2)c(CC(C)(C)C(=O)O)c1C(=O)O,0,0.0,
+Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,1,100.0,
+Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)O,0,0.0,
+Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nnc(C2CCCC2)s1,0,0.0,
+Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,0,0.0,
+Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)OC2=C1C(=O)CCC2,0,0.0,
+Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21,0,0.0,
+Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)Oc2n[nH]c(C)c21,0,0.0,
+Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/n1cnc2scc(-c3ccccc3)c2c1=O,1,100.0,
+Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/O,0,0.0,
+Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1,0,0.0,
+Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/n1cnnc1,0,0.0,
+Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCC3CCCO3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCN3CCOCC3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccc4c(c3)OCO4)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(N4CCOCC4)cc3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc4c(c3)OCCO4)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2[nH]c(C(F)(F)F)cc(=O)c12,0,0.0,
+Cc1nn(-c2ccccc2)c2c1/C(=N/O)CC(C)(C)C2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C(=O)NC(=O)C(C)(C)C2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C(O)n1c(nc3ccccc31)S2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C(c1c(C)[nH]c(C#N)c1C)C(C#N)=C(N)O2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C(c1ccc(F)cc1F)C(C#N)=C(N)O2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C(c1ccc3c(c1)OCO3)SCC(=O)N2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)C(C#N)=C(N)O2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C(c1cccnc1)N1C=C(S(=O)(=O)N3CCCCC3)C=CC1=N2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C(c1ccco1)C(C#N)=C(N)O2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C(c1ccncc1)C(C#N)=C(N)O2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C1(C(=O)N(C)c3ccccc31)N(c1ccccc1)C(=O)N2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1C1(C(=O)Nc3ccccc31)N1C(=N2)Sc2ccccc21,0,0.0,
+Cc1nn(-c2ccccc2)c2c1CC1(C(=O)N(C)C(=O)N(C)C1=O)C1CCCCN21,0,0.0,
+Cc1nn(-c2ccccc2)c2c1P(=O)(N1CCOCC1)N(C)C(c1ccccc1)=N2,0,0.0,
+Cc1nn(-c2ccccc2)c2c1P(=O)(O)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2,0,0.0,
+Cc1nn(-c2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12,0,0.0,
+Cc1nn(-c2ccccc2)c2nc(-c3ccncc3)cc(C(=O)NCc3ccco3)c12,0,0.0,
+Cc1nn(-c2ccccc2)c2nc(=O)n(-c3ccccc3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)C(C#N)c3ccccn3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)Cc3ccco3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)Cc3ccco3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccco3)C(C)C(=O)NC(C)(C)C)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCCC3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCOCC3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCc4ccccc4C3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)NC3CCCCC3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)NCCN3CCOCC3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)O)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)OC3CCOC3=O)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3CCCCC3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)OCN3C(=O)c4ccccc4C3=O)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3nnc(-c4ccccc4)o3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)OCn3nnc4ccccc4c3=O)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc12,0,0.0,
+Cc1nn(-c2ccccc2)c2sc(C(=O)n3cccn3)cc12,0,0.0,
+Cc1nn(-c2ccccc2)cc1/C=N/O,0,0.0,
+Cc1nn(-c2ccccc2C(=O)O)c(=O)c2ccccc12,0,0.0,
+Cc1nn(-c2ccccn2)c(C)c1Oc1ccccc1O,0,0.0,
+Cc1nn(-c2ccccn2)c2c1-c1nc(N)ncc1CC2,0,0.0,
+Cc1nn(-c2ccccn2)c2c1C(c1ccsc1)C1=C(CCCC1=O)N2,0,0.0,
+Cc1nn(-c2ccccn2)c2nc(-c3cccs3)cc(C(=O)N3CCOCC3)c12,0,0.0,
+Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccccc1,0,0.0,
+Cc1nn(-c2nc3ccccc3n2Cc2ccccc2)c2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1nn(-c2nc3ccccc3s2)c(C)c1Oc1ccccc1O,0,0.0,
+Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccc(Cl)cc1,0,0.0,
+Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccccc1,0,0.0,
+Cc1nn(-c2nc3ccccc3s2)c(N)c1Sc1ccc(F)cc1,0,0.0,
+Cc1nn(-c2nnc(C)c(=O)[nH]2)c(C)c1SCC(=O)Nc1ccc(C(C)C)cc1,0,0.0,
+Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1Br,0,0.0,
+Cc1nn(C(=O)CCCC(=O)n2nc(C)c(Cl)c2C)c(C)c1Cl,0,0.0,
+Cc1nn(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1Br,0,0.0,
+Cc1nn(C(=O)N2CCCCC2)c(C)c1CN1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1nn(C(=O)c2cc3sccc3[nH]2)c(C)c1C,0,0.0,
+Cc1nn(C(=O)c2ccc3c(c2)OCO3)c(N)c1-c1ccccc1,0,0.0,
+Cc1nn(C(=O)c2ccccc2)c2c1C(=O)CC(C)(C)C2,0,0.0,
+Cc1nn(C(=O)c2cccnc2)c(C)c1C,0,0.0,
+Cc1nn(C(=O)c2ccco2)c(C)c1CN1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1nn(C(=O)c2cccs2)c(C)c1CN1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1nn(C(=O)c2cccs2)c(N)c1-c1ccccc1,0,0.0,
+Cc1nn(C(=O)c2ccoc2C)c(N)c1-c1ccccc1,0,0.0,
+Cc1nn(C(C)(C)C)c(OC(=O)C2CCCC2)c1S(=O)(=O)c1ccccc1,0,0.0,
+Cc1nn(C(C)(C)C)c(OC(=O)c2ccc3c(c2)OCO3)c1S(=O)(=O)c1ccccc1,0,0.0,
+Cc1nn(C(C)(C)C)c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1,0,0.0,
+Cc1nn(C(C)C(=O)N2CCCCC2)c(=O)c2c1sc1ccccc12,0,0.0,
+Cc1nn(C(C)C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc3occc3n12,0,0.0,
+Cc1nn(C(C)C(=O)N2CCc3ccccc3C2)c(=O)c2cc3occc3n12,0,0.0,
+Cc1nn(C(C)C(=O)NCC2CCCO2)c(=O)c2cc3occc3n12,0,0.0,
+Cc1nn(C(C)C(=O)O)c(=O)c2c1sc1ccccc12,0,0.0,
+Cc1nn(C(C)C(=O)O)c2ccccc12,0,0.0,
+Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1cccs1)N2,1,100.0,0.0
+Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,0,0.0,
+Cc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F,0,0.0,
+Cc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1cccs1)N2,0,0.0,
+Cc1nn(C)c(C)c1CNC(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F,0,0.0,
+Cc1nn(C)c(C)c1CNC(=O)c1nn2c(c1Cl)NC(c1cccs1)CC2C(F)(F)F,0,0.0,
+Cc1nn(C)c(C)c1N=Cc1c(O)ccc2ccccc12,0,0.0,
+Cc1nn(C)c(C)c1NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1,1,100.0,
+Cc1nn(C)c(C)c1NC(=O)CN1CCC(O)(c2ccc3c(c2)OCO3)CC1,0,0.0,
+Cc1nn(C)c(C)c1NC(=O)CSc1nc(-c2ccccc2F)nc2c1cnn2-c1ccccc1,0,0.0,
+Cc1nn(C)c(C)c1NC(=O)CSc1nc(Cc2ccccc2)nc2c1cnn2-c1ccccc1,0,0.0,
+Cc1nn(C)c(C)c1NC(=O)CSc1nnc(C)n1-c1ccccc1,0,0.0,
+Cc1nn(C)c(C)c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+Cc1nn(C)c(C)c1NC(=O)c1ccnn1C,0,0.0,
+Cc1nn(C)c(C)c1NS(=O)(=O)c1ccccc1,0,0.0,
+Cc1nn(C)c(C)c1P(=S)(c1c(C)nn(C)c1C)N(C)C,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCCOC(C)C)c1ccc(C(C)C)cc1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(C(C)C)cc1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(C(C)C)cc1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1cccs1)c1ccc(C(C)C)cc1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccccn1)c1ccc(C(C)C)cc1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1nccs1)c1ccc(C(C)C)cc1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCc3ccccc32)CC1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NCC2COc3ccccc3O2)CC1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1,1,100.0,0.0
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCCC2)C1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NCC2COc3ccccc3O2)C1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)N1CCc2ccccc21,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)NC1CCCC1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)NC1CCCc2ccccc21,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)NCc1cccs1,0,0.0,
+Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)OCO2,1,100.0,0.0
+Cc1nn(C)c(C)c1Sc1ccc(Br)cc1,0,0.0,
+Cc1nn(C)c(N)c1C(O)(c1nccn1C)C(F)(F)F,0,0.0,
+Cc1nn(C)cc1/C=N/O,0,0.0,
+Cc1nn(C)cc1/C=N/n1nnnc1N,0,0.0,
+Cc1nn(C)cc1C(N)=O,0,0.0,
+Cc1nn(C)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2,0,0.0,
+Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,0,0.0,
+Cc1nn(C)cc1CN(C)C(=O)c1nn2c(c1Cl)NC(c1cccs1)CC2C(F)(F)F,0,0.0,
+Cc1nn(C)cc1CN(C)C(=O)c1sc2cccc(Cl)c2c1Cl,0,0.0,
+Cc1nn(C)cc1CNC(=O)C1C2CCC(O2)C1C(=O)O,0,0.0,
+Cc1nn(C)cc1CNC(=O)CCC(=O)O,0,0.0,
+Cc1nn(C)cc1CNC(=O)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+Cc1nn(C)cc1CNC(=O)Nc1ccc(Br)cc1Cl,0,0.0,
+Cc1nn(C)cc1CNC(=O)c1ccc(Br)o1,0,0.0,
+Cc1nn(C)cc1CNC(=O)c1ccccc1Br,0,0.0,
+Cc1nn(C)cc1CNC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12,0,0.0,
+Cc1nn(C)cc1CNC(=O)c1cnn2c1NC(c1ccc(Br)cc1)CC2C(F)(F)F,0,0.0,
+Cc1nn(C)cc1NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1,0,0.0,
+Cc1nn(C/C(C#N)=N\O)c(C)[n+]1N,0,0.0,
+Cc1nn(C2CCCCC2)c(N)c1-c1ccccc1,0,0.0,
+Cc1nn(C2CCOC(C)(C)C2)c2c1C(c1ccc3c(c1)OCO3)SCC(=O)N2,0,0.0,
+Cc1nn(CC(=O)N(C)C)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)NC(C)c2ccccc2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)NCC2CCCO2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)NCCc2ccccc2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)NCc2ccccc2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CN2CCCC2)n3C)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)Nc2ccc3c(c2)oc2ccccc23)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)Nc2ccccc2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)Nc2ccccn2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)Nc2cccnc2N2CCOCC2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)Nc2nnc(CC(=O)N3CCCC3)s2)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(=O)O)c(C)c1C,0,0.0,
+Cc1nn(CC(=O)O)c2ccccc12,0,0.0,
+Cc1nn(CC(N)=O)c(=O)c2ccccc12,0,0.0,
+Cc1nn(CC(O)COc2ccc3c(c2)CCC3)c(C)c1C,0,0.0,
+Cc1nn(CC(O)Cn2c3c(c4ccccc42)CCN(C)C3=O)c(C)c1Br,0,0.0,
+Cc1nn(CC(O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1Br,0,0.0,
+Cc1nn(CCC#N)c2c1P(=S)(N1CCCC1)OC(c1ccc(F)cc1)=N2,0,0.0,
+Cc1nn(CCC#N)c2nc(C(F)(F)F)[nH]c(=O)c12,0,0.0,
+Cc1nn(CCC(=O)O)c2nc(-c3cccnc3)cc(C(F)(F)F)c12,0,0.0,
+Cc1nn(CCCC(=O)N2CCc3ccccc3C2)c(=O)c2cc3sccc3n12,0,0.0,
+Cc1nn(CCCNC(=O)C2CCCO2)cc1Br,0,0.0,
+Cc1nn(CCO)c(C)c1Oc1ccccc1O,0,0.0,
+Cc1nn(CCO)c2c1C(=O)CCC2,0,0.0,
+Cc1nn(CCc2nc(-c3ccco3)cs2)c2[nH]c(=O)cc(C(F)(F)F)c12,0,0.0,
+Cc1nn(CCc2nn[nH]n2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12,0,0.0,
+Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(C(C)C)on1,0,0.0,
+Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1nn(C)cc1Cl,0,0.0,
+Cc1nn(Cc2ccc(C(=O)N3c4ccc(F)cc4CCC3C)o2)c(C)c1Br,0,0.0,
+Cc1nn(Cc2ccc(C(=O)NC(C)(C)C)o2)c(C)c1Br,0,0.0,
+Cc1nn(Cc2ccc(C(=O)NC3CCCCC3)o2)c(C)c1Br,0,0.0,
+Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)c(C)c1Cl,0,0.0,
+Cc1nn(Cc2ccc(C(=O)Nc3nccs3)cc2)c(C)c1Cl,0,0.0,
+Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,0,0.0,
+Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2ccco2)on1,0,0.0,
+Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(C2CC2)on1,0,0.0,
+Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(CC(C)C)on1,0,0.0,
+Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1noc2c1CCCCC2,0,0.0,
+Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)C1CC=CCC1C(=O)O,0,0.0,
+Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,0,0.0,
+Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(-c2ccco2)on1,0,0.0,
+Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1noc2c1CCCCC2,0,0.0,
+Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1nc2n(n1)C(C(F)F)CC(C)N2,0,0.0,
+Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,0,0.0,
+Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccco2)on1,0,0.0,
+Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cnn2cccnc12,0,0.0,
+Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1noc2c1CCCCC2,0,0.0,
+Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccccc1SCC#N,0,0.0,
+Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C,0,0.0,
+Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)O,0,0.0,
+Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCC(=O)O,0,0.0,
+Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3,0,0.0,
+Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C,0,0.0,
+Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,0,0.0,
+Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccco2)on1,0,0.0,
+Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2cccs2)on1,0,0.0,
+Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,0,0.0,
+Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(C)n1C,0,0.0,
+Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OC1CCOC1=O,0,0.0,
+Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1,0,0.0,
+Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nnc(-c2ccccc2)o1,0,0.0,
+Cc1nn(Cc2ccccc2)c(N)c1-c1ccccc1,0,0.0,
+Cc1nn(Cc2ccccc2)c(N)c1C#N,0,0.0,
+Cc1nn(Cc2ccccc2)c2c1C(c1ccco1)C(C#N)=C(N)O2,0,0.0,
+Cc1nn(Cc2ccccc2)c2c1C(c1ccncc1)C(C#N)=C(N)O2,0,0.0,
+Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc12,0,0.0,
+Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3cccnc3)cc12,0,0.0,
+Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC1=NCCS1,0,0.0,
+Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccco1,0,0.0,
+Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nnc(C2CC2)s1,0,0.0,
+Cc1nn(Cc2ccccc2Cl)c(C)c1N,0,0.0,
+Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)C1C2CCC(O2)C1C(=O)O,0,0.0,
+Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2ccc(F)cc2)on1,0,0.0,
+Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1noc2c1CCCCC2,0,0.0,
+Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)NCc1ccco1,0,0.0,
+Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCCn3ccnc3)cc12,1,100.0,1.0
+Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OC3CCCC3=O)cc12,0,0.0,
+Cc1nn(Cc2nc(-c3cccs3)no2)c(C)c1Br,0,0.0,
+Cc1nn(S(=O)(=O)N(C)C)c(C)c1CN1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1nn(S(=O)(=O)N2CCCCC2)c(C)c1Br,0,0.0,
+Cc1nn2c(-c3ccc(Cl)cc3)nnc2s1,0,0.0,
+Cc1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1,0,0.0,
+Cc1nn2c(-c3cccc(NC(=O)CN4CCOCC4)c3)nnc2c2ccccc12,0,0.0,
+Cc1nn2c(-c3cccc(NC(=O)CSc4nc5ccccc5o4)c3)nnc2c2ccccc12,0,0.0,
+Cc1nn2c(-c3cccc(NC(=O)c4ccco4)c3)nnc2c2ccccc12,0,0.0,
+Cc1nn2c(-c3ccccc3)c(-c3ccccc3)nc2[nH]c1=O,0,0.0,
+Cc1nn2c(-c3ccccc3)nnc2c2ccccc12,1,100.0,
+Cc1nn2c(-c3ccco3)nnc2c2ccccc12,0,0.0,
+Cc1nn2c(-c3ccncc3)nnc2c2ccccc12,0,0.0,
+Cc1nn2c(-n3ccnc3)c3c(nc2c1-c1ccccc1)CCC3,0,0.0,
+Cc1nn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc2s1,0,0.0,
+Cc1nn2c(=O)cc(CSc3nc4ccccc4[nH]3)nc2s1,0,0.0,
+Cc1nn2c(=O)nc3sc4c(c3c2[nH]c1=O)CCCC4,0,0.0,
+Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)N1CCOCC1,0,0.0,
+Cc1nn2c(CN(C(=O)c3ccco3)c3ccccc3)nnc2c2ccccc12,0,0.0,
+Cc1nn2c(N)csc2nc1=O,0,0.0,
+Cc1nn2c(N3CCCC3)cc(C(C)C)nc2c1-c1ccccc1,0,0.0,
+Cc1nn2c(N3CCN(C(=O)c4ccco4)CC3)cc(C(C)(C)C)nc2c1-c1ccccc1,0,0.0,
+Cc1nn2c(N3CCN(c4ccccn4)CC3)cc(C(C)C)nc2c1-c1ccccc1,0,0.0,
+Cc1nn2c(N3CCOCC3)c3c(nc2c1-c1ccccc1)CCCC3,0,0.0,
+Cc1nn2c(NCCCN3CCOCC3)c3c(nc2c1-c1ccccc1)CCC3,0,0.0,
+Cc1nn2c(c1-c1ccccc1)N=C(c1ccco1)CC2c1ccccc1,0,0.0,
+Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CCC1)C2c1cccnc1,0,0.0,
+Cc1nn2c(nc1=O)SCC(c1ccccc1)=N2,0,0.0,
+Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(c1ccco1)C3,0,0.0,
+Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(C)C3,0,0.0,
+Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(c1ccco1)C3,0,0.0,
+Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CCC3,0,0.0,
+Cc1nn2c3cc(N4CCOCC4)ccc3nc2c2ccccc12,0,0.0,
+Cc1nn2c3ccccc3nc2c2ccccc12,0,0.0,
+Cc1nn2c3ccccc3nc2n(C)c1=O,0,0.0,
+Cc1nn2c3ccccc3nc2n(Cc2ccccc2)c1=O,0,0.0,
+Cc1nn2cc(-c3ccc(-c4ccccc4)cc3)nc2s1,0,0.0,
+Cc1nn2cc(-c3ccc(N)cc3)nc2s1,0,0.0,
+Cc1nn2cc(-c3ccccc3)nc2s1,0,0.0,
+Cc1nn2cnc3sc4c(c3c2nc1=O)CCCC4,0,0.0,
+Cc1nnc(-c2ccccc2)c[n+]1[O-],0,0.0,
+Cc1nnc(-n2cnc3ccccc32)c2ccccc12,0,0.0,
+Cc1nnc(C)c2c(C)n(-c3ccc(Br)cc3)c(C)c12,0,0.0,
+Cc1nnc(C)c2c(C)n(C(C)c3ccccc3)c(C)c12,0,0.0,
+Cc1nnc(C)c2c(C)n(Cc3ccc4c(c3)OCO4)c(C)c12,1,100.0,1.0
+Cc1nnc(C)c2c(C)n(Cc3ccccc3)c(C)c12,1,100.0,1.0
+Cc1nnc(C)n1/N=C/C=C/c1ccccc1,0,0.0,
+Cc1nnc(C)n1/N=C/c1cc(Br)cc(Br)c1O,0,0.0,
+Cc1nnc(C)n1/N=C/c1cc(Br)ccc1O,0,0.0,
+Cc1nnc(C)n1/N=C/c1ccc(C(C)C)cc1,0,0.0,
+Cc1nnc(C)n1/N=C/c1ccc2c(c1)OCCO2,0,0.0,
+Cc1nnc(C)n1/N=C/c1cccc(Oc2ccccc2)c1,0,0.0,
+Cc1nnc(C)n1/N=C/c1ccccn1,0,0.0,
+Cc1nnc(C)n1/N=C/c1cccn1C,0,0.0,
+Cc1nnc(C)n1/N=C/c1cccs1,0,0.0,
+Cc1nnc(C)n1N1C(=O)c2cccc3cccc(c23)C1=O,0,0.0,
+Cc1nnc(N(C(=O)c2cnccn2)c2ccccc2)s1,0,0.0,
+Cc1nnc(N(C)C(=O)Cc2ccc3c(c2)OCO3)s1,0,0.0,
+Cc1nnc(N(C)C(=O)c2cccnc2)s1,0,0.0,
+Cc1nnc(N(CCC#N)CCC#N)s1,0,0.0,
+Cc1nnc(N(Cc2ccccc2)C(=O)c2cnccn2)s1,0,0.0,
+Cc1nnc(N(Cc2ccco2)C(=O)c2cccc(C#N)c2)s1,0,0.0,
+Cc1nnc(N(Cc2ccco2)C(=O)c2ccno2)s1,0,0.0,
+Cc1nnc(N)nc1C,0,0.0,
+Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(F)cc2)s1,0,0.0,
+Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)s1,0,0.0,
+Cc1nnc(N2CCCCC2)c2ccccc12,0,0.0,
+Cc1nnc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O,0,0.0,
+Cc1nnc(N2CCN(c3ccccc3)CC2)[nH]c1=O,0,0.0,
+Cc1nnc(N2CCOCC2)c2ccccc12,0,0.0,
+Cc1nnc(N2CCc3ccccc3C2)[nH]c1=O,0,0.0,
+Cc1nnc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)s1,0,0.0,
+Cc1nnc(NC(=O)C(C)Sc2nncn2C)s1,0,0.0,
+Cc1nnc(NC(=O)C2(c3ccccc3)CCOCC2)s1,0,0.0,
+Cc1nnc(NC(=O)C2C3C=CC(O3)C2C(=O)O)s1,0,0.0,
+Cc1nnc(NC(=O)C2CCCCC2)s1,0,0.0,
+Cc1nnc(NC(=O)C2CCCN(S(=O)(=O)Cc3ccccc3)C2)s1,0,0.0,
+Cc1nnc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)s1,0,0.0,
+Cc1nnc(NC(=O)C2CCCN(c3ncccn3)C2)s1,0,0.0,
+Cc1nnc(NC(=O)C2CCCO2)s1,0,0.0,
+Cc1nnc(NC(=O)C2CCN(c3cnccn3)CC2)s1,0,0.0,
+Cc1nnc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)s1,0,0.0,
+Cc1nnc(NC(=O)C2COc3ccccc3O2)s1,0,0.0,
+Cc1nnc(NC(=O)CCC(=O)N2CCC(C)CC2)s1,0,0.0,
+Cc1nnc(NC(=O)CCC(=O)N2CCN(CCc3ccccc3)CC2)s1,0,0.0,
+Cc1nnc(NC(=O)CCC(=O)NCc2ccco2)s1,0,0.0,
+Cc1nnc(NC(=O)CCCCCN2C(=O)C3C4C=CC(C4)C3C2=O)s1,0,0.0,
+Cc1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1,0,0.0,
+Cc1nnc(NC(=O)CCSc2ccccc2)s1,0,0.0,
+Cc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1,0,0.0,
+Cc1nnc(NC(=O)CSC2CCCCC2)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2ccccn2)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)SC(C)C3)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2C)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2-c2ccccc2)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2cccc(C(F)(F)F)c2)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2cccc(C)c2C)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccccc2)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2C)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnc3scc(-c4ccc(C)c(C)c4)n23)s1,0,0.0,
+Cc1nnc(NC(=O)CSc2nnnn2Cc2ccccc2)s1,0,0.0,
+Cc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1,0,0.0,
+Cc1nnc(NC(=O)Cc2cccs2)s1,0,0.0,
+Cc1nnc(NC(=O)NC(C)N2C(=O)C3C4C=CC(C4)C3C2=O)s1,0,0.0,
+Cc1nnc(NC(=O)NCN2C(=O)C3C4C=CC(C4)C3C2=O)s1,0,0.0,
+Cc1nnc(NC(=O)Nc2cccc(Cl)c2)s1,0,0.0,
+Cc1nnc(NC(=O)Oc2ccccc2)s1,0,0.0,
+Cc1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1,0,0.0,
+Cc1nnc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(C2CC2)N3)s1,0,0.0,
+Cc1nnc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)s1,0,0.0,
+Cc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)s1,0,0.0,
+Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1,0,0.0,
+Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1,0,0.0,
+Cc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)s1,0,0.0,
+Cc1nnc(NC(=O)c2ccc3ccccc3c2)o1,0,0.0,
+Cc1nnc(NC(=O)c2cccc(F)c2)s1,0,0.0,
+Cc1nnc(NC(=O)c2ccccc2Br)s1,0,0.0,
+Cc1nnc(NC(=O)c2ccccc2F)s1,0,0.0,
+Cc1nnc(NC(=O)c2ccco2)s1,0,0.0,
+Cc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1,0,0.0,
+Cc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1,0,0.0,
+Cc1nnc(NC2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)s1,0,0.0,
+Cc1nnc(NC2=NCCC2)o1,0,0.0,
+Cc1nnc(NC2=NCCC2)s1,0,0.0,
+Cc1nnc(NC2=NCCCCC2)o1,0,0.0,
+Cc1nnc(NC2CCCCC2)[nH]c1=O,0,0.0,
+Cc1nnc(NCCN2CCOCC2)[nH]c1=O,0,0.0,
+Cc1nnc(NCCc2ccccc2)[nH]c1=O,0,0.0,
+Cc1nnc(NCCc2ccccc2)n(N)c1=O,1,100.0,
+Cc1nnc(NCc2ccco2)c2ccccc12,0,0.0,
+Cc1nnc(NCc2ccncc2)c2ccccc12,0,0.0,
+Cc1nnc(NCc2n[nH]c(=O)c3ccccc23)c2ccccc12,0,0.0,
+Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,0,0.0,
+Cc1nnc(NS(C)(=O)=O)s1,0,0.0,
+Cc1nnc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12,0,0.0,
+Cc1nnc(Nc2ccc(C(=O)NCCO)cc2)c2ccccc12,0,0.0,
+Cc1nnc(Nc2ccc3c(c2)OCO3)c2ccccc12,0,0.0,
+Cc1nnc(Nc2ccc3c(c2)ncn3C)c2ccccc12,0,0.0,
+Cc1nnc(Nc2ccccn2)c2ccccc12,0,0.0,
+Cc1nnc(OCc2nc3ccccc3n2C)c2ccccc12,0,0.0,
+Cc1nnc(Oc2ccccc2)c2ccccc12,0,0.0,
+Cc1nnc(Oc2ccccc2F)c2ccccc12,0,0.0,
+Cc1nnc(SC(=O)N2c3ccccc3Sc3ccccc32)s1,0,0.0,
+Cc1nnc(SC(C)C(=O)NCC2CCCO2)n1-c1ccccc1,0,0.0,
+Cc1nnc(SC(C)C(=O)Nc2ccc(Cl)cn2)n1Cc1ccccc1,0,0.0,
+Cc1nnc(SC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1,0,0.0,
+Cc1nnc(SC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1,0,0.0,
+Cc1nnc(SC(C)C(=O)Nc2ccc3c(c2)OCCO3)s1,0,0.0,
+Cc1nnc(SCC(=O)N(C(C)C)C(C)C)nc1C,0,0.0,
+Cc1nnc(SCC(=O)N(C)Cc2ccccc2)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)N2CCC(C(=O)Nc3nccs3)CC2)n1Cc1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)N2CCC(C(N)=O)CC2)s1,0,0.0,
+Cc1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)n(N)c1=O,1,100.0,0.0
+Cc1nnc(SCC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)s1,0,0.0,
+Cc1nnc(SCC(=O)N2CCCCC2)s1,0,0.0,
+Cc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1,0,0.0,
+Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n(N)c1=O,0,0.0,
+Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1Cc1ccccc1,1,100.0,1.0
+Cc1nnc(SCC(=O)N2CCOCC2)c2ccccc12,0,0.0,
+Cc1nnc(SCC(=O)N2CCOCC2)n1C,0,0.0,
+Cc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)N2CCc3ccccc32)s1,0,0.0,
+Cc1nnc(SCC(=O)N2c3ccccc3CC2C)s1,0,0.0,
+Cc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1N,0,0.0,
+Cc1nnc(SCC(=O)NC(=O)NC(C)(C)C)n1N,0,0.0,
+Cc1nnc(SCC(=O)NC(C)(C)C)n1CCc1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)NC(C)c2ccccc2)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)NC2CC2)n1CCc1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)NCC2CCCO2)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)NCCN2C(=O)CSC2=O)s1,0,0.0,
+Cc1nnc(SCC(=O)NCCOc2ccc(Cl)cc2)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)NCCc2ccccc2)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)NCc2ccc(Cl)cc2)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1,0,0.0,
+Cc1nnc(SCC(=O)NCc2ccccc2)s1,0,0.0,
+Cc1nnc(SCC(=O)NCc2ccco2)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)NCc2cccs2)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)NCc2cccs2)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)o1,0,0.0,
+Cc1nnc(SCC(=O)Nc2ccc(Br)cn2)[nH]c1=O,1,100.0,
+Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)n1Cc1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1N,0,0.0,
+Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1N,1,100.0,1.0
+Cc1nnc(SCC(=O)Nc2ccc3c(c2)COC3=O)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1CC1CCCO1,0,0.0,
+Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1,0,0.0,
+Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)o1,0,0.0,
+Cc1nnc(SCC(=O)Nc2ccc3c4c(cccc24)CC3)n1C,0,0.0,
+Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1Cc1ccco1,0,0.0,
+Cc1nnc(SCC(=O)Nc2ccccc2)n1CCc1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)Nc2ccccc2N2CCOCC2)s1,0,0.0,
+Cc1nnc(SCC(=O)Nc2ccccc2NC(=O)CSc2nnc(C)s2)s1,0,0.0,
+Cc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1N,0,0.0,
+Cc1nnc(SCC(=O)Nc2nc3c(s2)CC(C)CC3)s1,0,0.0,
+Cc1nnc(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)n1N,0,0.0,
+Cc1nnc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)s1,0,0.0,
+Cc1nnc(SCC(=O)Nc2nccs2)[nH]c1=O,1,100.0,0.0
+Cc1nnc(SCC(=O)Nc2nccs2)s1,0,0.0,
+Cc1nnc(SCC(=O)Nc2nsc(-c3ccccc3)n2)s1,0,0.0,
+Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)Nc2sccc2C(N)=O)n1Cc1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)Nn2cnnc2)s1,0,0.0,
+Cc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1Cc1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)s1,0,0.0,
+Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)s1,0,0.0,
+Cc1nnc(SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCC(=O)n2c3c(c4ccccc42)CCCC3)s1,0,0.0,
+Cc1nnc(SCC(C)C)[nH]c1=O,0,0.0,
+Cc1nnc(SCC(N)=O)n1CC1CCCO1,0,0.0,
+Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1,0,0.0,
+Cc1nnc(SCC2CCCO2)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCCC#N)n(CCC#N)c1=O,0,0.0,
+Cc1nnc(SCCC(=O)Nc2nc(-c3ccccc3)ns2)s1,0,0.0,
+Cc1nnc(SCCC(C)C)[nH]c1=O,0,0.0,
+Cc1nnc(SCCCN2C(=O)c3ccccc3C2=O)o1,0,0.0,
+Cc1nnc(SCCCn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCCn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1,1,100.0,
+Cc1nnc(SCCN2C(=O)c3ccccc3C2=O)[nH]c1=O,0,0.0,
+Cc1nnc(SCCN2CCOCC2)n1-c1cccc(Cl)c1,0,0.0,
+Cc1nnc(SCCN2CCOCC2)n1C,0,0.0,
+Cc1nnc(SCCOC(N)=O)n1C,0,0.0,
+Cc1nnc(SCCc2ccccc2)[nH]c1=O,0,0.0,
+Cc1nnc(SCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CC(C)CC(C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CC(C)CC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CCCC(C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CCCC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCCn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1,1,100.0,0.0
+Cc1nnc(SCCn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1,0,0.0,
+Cc1nnc(SCSc2nnc(C)s2)s1,0,0.0,
+Cc1nnc(SCc2cc(=O)[nH]c(N3CCCCC3)n2)s1,0,0.0,
+Cc1nnc(SCc2cc(=O)[nH]c(N3CCN(Cc4ccccc4)CC3)n2)s1,0,0.0,
+Cc1nnc(SCc2cc(=O)[nH]c(Nc3nc(C)c4ccccc4n3)n2)s1,0,0.0,
+Cc1nnc(SCc2cc(=O)n3[nH]cnc3n2)s1,0,0.0,
+Cc1nnc(SCc2ccc(C(=O)c3ccc(Cl)cc3)o2)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCc2ccc(CC(=O)O)cc2)o1,0,0.0,
+Cc1nnc(SCc2ccc(Cl)cc2)n1CC1CCCO1,0,0.0,
+Cc1nnc(SCc2ccc(Cl)cc2Cl)[nH]c1=O,0,0.0,
+Cc1nnc(SCc2ccc(F)cc2)s1,0,0.0,
+Cc1nnc(SCc2cccc(Oc3ccccc3)c2)n1N,0,0.0,
+Cc1nnc(SCc2ccccc2)n1N,0,0.0,
+Cc1nnc(SCc2ccccc2C#N)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCc2ccccc2Cl)n1CC1CCCO1,0,0.0,
+Cc1nnc(SCc2ccccc2F)n1NCc1cccs1,0,0.0,
+Cc1nnc(SCc2cccs2)[nH]c1=O,0,0.0,
+Cc1nnc(SCc2ccon2)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCc2cn3ccsc3n2)n(N)c1=O,0,0.0,
+Cc1nnc(SCc2cnc(-c3ccc(C(C)C)cc3)s2)n1C,0,0.0,
+Cc1nnc(SCc2cnc(-c3ccccc3)o2)[nH]c1=O,0,0.0,
+Cc1nnc(SCc2nc3ccccc3[nH]2)s1,0,0.0,
+Cc1nnc(SCc2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1N,0,0.0,
+Cc1nnc(SCc2nc3ccccc3s2)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1-c1ccccc1,0,0.0,
+Cc1nnc(SCc2nnc(-c3ccccc3)o2)n(N)c1=O,0,0.0,
+Cc1nnc(SCc2nnc(-c3ccccc3Br)o2)n1-c1ccccc1,0,0.0,
+Cc1nnc(Sc2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1,0,0.0,
+Cc1nnc(Sc2nc(Sc3nnc(C)s3)nc(N3CCN(C)CC3)n2)s1,0,0.0,
+Cc1nnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)s1,0,0.0,
+Cc1nnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)s1,0,0.0,
+Cc1nnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)s1,0,0.0,
+Cc1nnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)s1,0,0.0,
+Cc1nnc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)s1,0,0.0,
+Cc1nnc(Sc2nc3ccccc3o2)c2ccccc12,0,0.0,
+Cc1nnc2c(-c3ccccc3)nc3ccccc3n12,0,0.0,
+Cc1nnc2c(NC(C)C)nc3ccccc3n12,0,0.0,
+Cc1nnc2c3ccccc3c(-c3ccccc3)nn12,0,0.0,
+Cc1nnc2c3cnn(-c4ccc(Cl)cc4)c3ncn12,0,0.0,
+Cc1nnc2ccc(N3CCC(C(N)=O)(N4CCCCC4)CC3)nn12,0,0.0,
+Cc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12,0,0.0,
+Cc1nnc2ccc(N3CCCC3)nn12,0,0.0,
+Cc1nnc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn12,0,0.0,
+Cc1nnc2ccc(N3CCN(C)CC3)nn12,0,0.0,
+Cc1nnc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn12,0,0.0,
+Cc1nnc2ccc(N3CCN(c4ccccn4)CC3)nn12,0,0.0,
+Cc1nnc2ccc(Oc3ccc(-c4ccccc4)cc3)nn12,0,0.0,
+Cc1nnc2n(-c3ccc(Cl)cc3)c(=O)c3c4c(sc3n12)CN(C)CC4,0,0.0,
+Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CC(C)CC4,0,0.0,
+Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,0,0.0,
+Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)COC(C(C)C)C4,0,0.0,
+Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,0,0.0,
+Cc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCC4,0,0.0,
+Cc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,0,0.0,
+Cc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,0,0.0,
+Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,0,0.0,
+Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CN(Cc1ccccc1)CC4,0,0.0,
+Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)COC(C(C)C)C4,0,0.0,
+Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,0,0.0,
+Cc1nnc2n(c1=O)C(CS(=O)(=O)c1ccccc1)CS2,0,0.0,
+Cc1nnc2n1-c1ccc(Br)cc1C(c1ccccc1Cl)=NC2,0,0.0,
+Cc1nnc2n1N=CC=C(C(C)(C)C)S2,0,0.0,
+Cc1nnc2n1N=CC=C(c1ccccc1)S2,0,0.0,
+Cc1nnc2n1NC(c1ccc(Cl)cc1)C(C(=O)N(C)C1CCCCC1)S2,0,0.0,
+Cc1nnc2n1NC(c1ccc(Cl)cc1)C(C(=O)N1CCC(C)CC1)S2,0,0.0,
+Cc1nnc2sc(-c3ccc(-c4ccc(Cl)c(C(F)(F)F)c4)o3)nn12,0,0.0,
+Cc1nnc2sc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)nn12,0,0.0,
+Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3)nn12,0,0.0,
+Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)nn12,0,0.0,
+Cc1nnc2sc(-c3ccc(NC(=O)c4cccnc4)cc3)nn12,0,0.0,
+Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)c3)nn12,0,0.0,
+Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12,0,0.0,
+Cc1nnc2sc(-c3cccc4ccccc34)nn12,0,0.0,
+Cc1nnc2sc(-c3ccco3)nn12,0,0.0,
+Cc1nnc2sc(-c3ccncc3)nn12,0,0.0,
+Cc1nnc2sc(-c3csc4c3CCCC4)nn12,0,0.0,
+Cc1nnn(C23CC4CC(CC(C4)C2)C3)n1,0,0.0,
+Cc1nnsc1-c1nc2ccccc2[nH]1,0,0.0,
+Cc1nnsc1C(=O)Nc1ccccc1Cl,0,0.0,
+Cc1nnsc1NC(=O)OCC(C)C,0,0.0,
+Cc1noc(-c2ccccc2OC(=O)c2ccccc2)n1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N(C)CC(=O)N1CCc2ccccc21,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N(C)CC(=O)NC1CCCCC1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC(C(=O)O)CC1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)N2CCCCC2)C1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc32)C1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NC(C)c2ccccc2)C1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1,1,100.0,0.0
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2C)C1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NCCC2=CCCCC2)C1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(Cl)cc2)C1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(F)cc2)C1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NCc2cccs2)C1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc3c(c2)OCO3)C1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCc2ccccc21,1,100.0,
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)NC1CCCCC1,0,0.0,
+Cc1noc(/C=C/NCc2cccnc2)c1S(=O)(=O)N(C)CC(=O)N1CCc2ccccc21,0,0.0,
+Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1,0,0.0,
+Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1,0,0.0,
+Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3CC2C)CC1,0,0.0,
+Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1,0,0.0,
+Cc1noc(C(=O)N2CC3(C)CC2CC(C)(C)C3)c1Cl,0,0.0,
+Cc1noc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1Cl,0,0.0,
+Cc1noc(C(=O)NCc2cccnc2)c1Cl,0,0.0,
+Cc1noc(C(=O)NCc2ccco2)c1Cl,0,0.0,
+Cc1noc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1Cl,0,0.0,
+Cc1noc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c1Cl,0,0.0,
+Cc1noc(C(=O)Nc2ccc3c(c2)OCO3)c1Cl,0,0.0,
+Cc1noc(C(=O)Nc2ccccc2C(F)(F)F)c1Cl,0,0.0,
+Cc1noc(C(=O)Nc2sc3c(c2C#N)CCC3)c1Cl,0,0.0,
+Cc1noc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1,0,0.0,
+Cc1noc(C)c1C(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1noc(C)c1C(=O)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1,1,100.0,0.0
+Cc1noc(C)c1C(=O)N1CCN(CCc2ccccc2)CC1,0,0.0,
+Cc1noc(C)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+Cc1noc(C)c1C(=O)N1CCN(c2ncccn2)CC1,0,0.0,
+Cc1noc(C)c1C(=O)N1CCc2ccccc21,0,0.0,
+Cc1noc(C)c1C(=O)N1CCc2ccccc2C1,0,0.0,
+Cc1noc(C)c1C(=O)NC(C)C1CCCO1,0,0.0,
+Cc1noc(C)c1C(=O)NC(C)c1ccc2c(c1)OCO2,0,0.0,
+Cc1noc(C)c1C(=O)NC1CCCc2ccccc21,0,0.0,
+Cc1noc(C)c1C(=O)NCCC1=CCCCC1,0,0.0,
+Cc1noc(C)c1C(=O)NCCCN1CCCC1=O,0,0.0,
+Cc1noc(C)c1C(=O)NCCCc1ccccc1,0,0.0,
+Cc1noc(C)c1C(=O)NCCc1ccc(Cl)cc1,0,0.0,
+Cc1noc(C)c1C(=O)NCc1ccco1,0,0.0,
+Cc1noc(C)c1C(=O)NCc1cccs1,0,0.0,
+Cc1noc(C)c1C(=O)Nc1c(F)cc(F)cc1Br,0,0.0,
+Cc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F,0,0.0,
+Cc1noc(C)c1C(=O)Nc1ccc2c(c1)CCC2,0,0.0,
+Cc1noc(C)c1C(=O)Nc1ccccc1-c1ccccc1,0,0.0,
+Cc1noc(C)c1C(=O)Nc1ccccn1,0,0.0,
+Cc1noc(C)c1C(=O)Nc1cccnc1,0,0.0,
+Cc1noc(C)c1C(=O)Nc1ccon1,0,0.0,
+Cc1noc(C)c1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1,0,0.0,
+Cc1noc(C)c1C(=O)Nc1nnc(-c2ccccc2)s1,0,0.0,
+Cc1noc(C)c1C(=O)Nc1sc(C)c(-c2ccccc2)c1C#N,0,0.0,
+Cc1noc(C)c1C(=O)Nc1sc(C)c(C)c1C#N,0,0.0,
+Cc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2,0,0.0,
+Cc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2,0,0.0,
+Cc1noc(C)c1C(=O)OC(C(=O)NC1CCCC1)c1ccc(F)cc1,0,0.0,
+Cc1noc(C)c1C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C,0,0.0,
+Cc1noc(C)c1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+Cc1noc(C)c1C(=O)OCC(=O)NCCC1=CCCCC1,0,0.0,
+Cc1noc(C)c1C(=O)OCC(=O)NCCc1ccc(Cl)cc1,0,0.0,
+Cc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1,0,0.0,
+Cc1noc(C)c1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O,0,0.0,
+Cc1noc(C)c1C(=O)OCC(=O)c1c[nH]c2ccccc12,0,0.0,
+Cc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(Cc2ccccc2Cl)c1C,0,0.0,
+Cc1noc(C)c1C(=O)OCC(=O)c1ccc[nH]1,0,0.0,
+Cc1noc(C)c1CN1C(=O)NC2(CCCCCCC2)C1=O,0,0.0,
+Cc1noc(C)c1CN1C(=O)NC2(CCc3ccccc3C2)C1=O,0,0.0,
+Cc1noc(C)c1COC(=O)C1(c2cccc(F)c2)CCCC1,0,0.0,
+Cc1noc(C)c1COC(=O)C1CC(O)CN1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+Cc1noc(C)c1COC(=O)C1COc2ccccc2O1,0,0.0,
+Cc1noc(C)c1COC(=O)CCC(=O)c1ccc(F)cc1,0,0.0,
+Cc1noc(C)c1COC(=O)CCCOc1ccc(Cl)cc1Cl,0,0.0,
+Cc1noc(C)c1COC(=O)CCCc1c[nH]c2ccccc12,0,0.0,
+Cc1noc(C)c1COC(=O)CCCc1nc2ccccc2s1,0,0.0,
+Cc1noc(C)c1COC(=O)CCN1c2ccccc2Sc2ccccc21,0,0.0,
+Cc1noc(C)c1COC(=O)CCOc1ccccc1,0,0.0,
+Cc1noc(C)c1COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+Cc1noc(C)c1COC(=O)CCc1nc2ccccc2c(=O)[nH]1,0,0.0,
+Cc1noc(C)c1COC(=O)CCc1nc2ccccc2s1,0,0.0,
+Cc1noc(C)c1COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+Cc1noc(C)c1COC(=O)COc1ccc2c(C)cc(=O)oc2c1,0,0.0,
+Cc1noc(C)c1COC(=O)COc1cccc2c1OC(C)(C)C2,0,0.0,
+Cc1noc(C)c1COC(=O)Cc1ccc(Cl)c(Cl)c1,0,0.0,
+Cc1noc(C)c1COC(=O)Cc1ccc(Cl)cc1,0,0.0,
+Cc1noc(C)c1COC(=O)Cn1c(C)nc2ccccc21,0,0.0,
+Cc1noc(C)c1COC(=O)c1cc(=O)[nH]c2ccccc12,0,0.0,
+Cc1noc(C)c1COC(=O)c1cc(C)n(-c2ccccc2)c1C,1,100.0,0.0
+Cc1noc(C)c1COC(=O)c1cc(F)c(F)cc1Cl,0,0.0,
+Cc1noc(C)c1COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1,0,0.0,
+Cc1noc(C)c1COC(=O)c1cc2c3ccccc3n(C)c2s1,0,0.0,
+Cc1noc(C)c1COC(=O)c1ccc(-c2nc3ccccc3s2)s1,0,0.0,
+Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1,1,100.0,1.0
+Cc1noc(C)c1COC(=O)c1ccc2c(c1)OCO2,0,0.0,
+Cc1noc(C)c1COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,0,0.0,
+Cc1noc(C)c1COC(=O)c1ccc2ccccc2n1,0,0.0,
+Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1,0,0.0,
+Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1,0,0.0,
+Cc1noc(C)c1COC(=O)c1ccccc1NC(=O)Cc1ccccc1,0,0.0,
+Cc1noc(C)c1COC(=O)c1ccccc1Oc1ccccc1,0,0.0,
+Cc1noc(C)c1COC(=O)c1ccccc1Sc1ccccc1C#N,0,0.0,
+Cc1noc(C)c1COC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2,1,100.0,1.0
+Cc1noc(C)c1COc1ccc(C(=O)NCc2ccccn2)cc1,0,0.0,
+Cc1noc(C)c1COc1ccc(C(=O)OC(C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,0,0.0,
+Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)N2CC3(C)CC2CC(C)(C)C3)cc1,0,0.0,
+Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)NC(=O)C2COc3ccccc3O2)cc1,0,0.0,
+Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1,0,0.0,
+Cc1noc(C)c1COc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1,0,0.0,
+Cc1noc(C)c1COc1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1,0,0.0,
+Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C#N)cc2)c1,0,0.0,
+Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1,0,0.0,
+Cc1noc(C)c1COc1cccc(C(=O)OCCOc2ccc(F)cc2)c1,0,0.0,
+Cc1noc(C)c1COc1cccc(C(=O)Oc2ccc3c(c2)OCO3)c1,0,0.0,
+Cc1noc(C)c1CSCC(=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+Cc1noc(C)c1CSCC(=O)NC1=NCCS1,0,0.0,
+Cc1noc(C)c1CSCC(=O)OCC(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+Cc1noc(C)c1CSCC(=O)OCC(=O)NC1CCCCC1,0,0.0,
+Cc1noc(C)c1CSCC(=O)OCC(=O)Nc1sccc1C#N,0,0.0,
+Cc1noc(C)c1CSCC(=O)OCc1nc2ccccc2c(=O)n1CC#N,0,0.0,
+Cc1noc(C)c1CSc1cc(C)c2ccccc2n1,0,0.0,
+Cc1noc(C)c1CSc1ccc2ccccc2n1,0,0.0,
+Cc1noc(C)c1CSc1ccccc1C(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nccs1,0,0.0,
+Cc1noc(C)c1CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1,0,0.0,
+Cc1noc(C)c1CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1,0,0.0,
+Cc1noc(C)c1CSc1nc2ccccc2[nH]1,1,100.0,1.0
+Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccccc1,0,0.0,
+Cc1noc(C)c1CSc1nc2ccccc2n1C,0,0.0,
+Cc1noc(C)c1CSc1nc2ccccc2n1CCc1ccccc1,1,100.0,0.0
+Cc1noc(C)c1CSc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+Cc1noc(C)c1CSc1nc2ccccc2s1,0,0.0,
+Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1,0,0.0,
+Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1,0,0.0,
+Cc1noc(C)c1CSc1ncnc2ccccc12,0,0.0,
+Cc1noc(C)c1CSc1ncnc2sc(C)c(C)c12,0,0.0,
+Cc1noc(C)c1CSc1ncnc2sc3c(c12)CCC3,0,0.0,
+Cc1noc(C)c1CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1,0,0.0,
+Cc1noc(C)c1CSc1nnc(-c2cc(Cl)ccc2Cl)n1N,0,0.0,
+Cc1noc(C)c1CSc1nnc(-c2ccccc2)n1Cc1ccco1,0,0.0,
+Cc1noc(C)c1CSc1nnc(-c2ccccc2F)n1CCc1ccccc1,0,0.0,
+Cc1noc(C)c1CSc1nnc(-c2cccnc2)n1C1CCCCC1C,0,0.0,
+Cc1noc(C)c1CSc1nnc(-c2ccco2)o1,0,0.0,
+Cc1noc(C)c1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1,0,0.0,
+Cc1noc(C)c1CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C,0,0.0,
+Cc1noc(C)c1CSc1nnc(C)c(=O)[nH]1,0,0.0,
+Cc1noc(C)c1CSc1nnc2c(C)cc3ccccc3n12,0,0.0,
+Cc1noc(C)c1CSc1nnc2cc(C)c3ccccc3n12,0,0.0,
+Cc1noc(C)c1CSc1nnc2ccc3ccccc3n12,0,0.0,
+Cc1noc(C)c1CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12,0,0.0,
+Cc1noc(C)c1CSc1nnc2sc3ccccc3n12,0,0.0,
+Cc1noc(C)c1CSc1nnc2scc(-c3ccc(Cl)cc3)n12,0,0.0,
+Cc1noc(C)c1CSc1nnc2scc(-c3ccccc3)n12,0,0.0,
+Cc1noc(C)c1CSc1nnnn1-c1ccc(Cl)cc1,0,0.0,
+Cc1noc(C)c1Cn1nc(C(=O)O)c2ccccc2c1=O,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NCc1ccccc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(C(C)C)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(C(C)C)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCn2c1nc1ccccc12)c1ccc(C(C)C)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)C)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N(CC(=O)O)c1ccc2c(c1)OCO2,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(N3CCCCC3)CC2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C3CCCC3)CC2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,1,100.0,0.0
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3Cl)CC2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCc3ccccc32)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCN2CCC(C)CC2)CC1,1,100.0,0.0
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccn2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCC(C)CC2)C1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(C3CCCCC3)CC2)C1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCC2CCCO2)C1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCC2=CCCCC2)C1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2cccnc2)C1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nccs2)C1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)NC1CCCc2ccccc21,0,0.0,
+Cc1noc(C)c1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)NCC(=O)O,0,0.0,
+Cc1noc(C)c1S(=O)(=O)NCCCN1CCN(Cc2ccccc2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)NCCN1CCN(c2ccccc2)CC1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+Cc1noc(C)c1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,1,100.0,0.0
+Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2C)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1,0,0.0,
+Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)O)cc1,0,0.0,
+Cc1noc(COc2ccc(OCc3nc(C)no3)cc2)n1,0,0.0,
+Cc1noc(COc2ccccc2OCC(N)=O)c1Cl,0,0.0,
+Cc1noc(COc2ccccc2OCC(O)CNC(C)(C)C)n1,0,0.0,
+Cc1noc(N)c1C(=O)Nc1ccc(F)c(Cl)c1,0,0.0,
+Cc1noc(N)c1C(=O)Nc1ccc(F)cc1,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(N/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(N/C=C/C(=O)c3cccnc3)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(N3CC(O)=C(c4ccccc4)C3=N)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(N3Cc4ccccc4C3=O)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C34CCC(CC3)C4)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCC3)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CS(=O)(=O)c3ccccc3)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3n[nH]c(-c4ccccc4)n3)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4c(cc3C#N)CCC4)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4c(cc3C#N)CCCC4)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3ncccn3)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cnc4n(c3=O)CCS4)cc2)c1C,0,0.0,
+Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cnc4scc(C)n4c3=O)cc2)c1C,0,0.0,
+Cc1noc2nc(-c3cccs3)cc(-c3nnc4n3CCCCC4)c12,0,0.0,
+Cc1nonc1-c1nc(-c2nonc2N)n[nH]1,0,0.0,
+Cc1nonc1NC(=O)CSc1ccc(-c2ccccc2)nn1,0,0.0,
+Cc1nonc1NC(=O)CSc1nc(C2CCCCC2)nc2ccccc12,0,0.0,
+Cc1nonc1NC(=O)CSc1nc2cc(Cl)ccc2c2c1CCCC2,0,0.0,
+Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1C,0,0.0,
+Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C,0,0.0,
+Cc1nonc1NC(=O)N1CCCC1,0,0.0,
+Cc1nonc1NC(=O)Nc1cccnc1,0,0.0,
+Cc1nonc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+Cc1nonc1NC(=O)c1ccccc1Br,0,0.0,
+Cc1nonc1OCCNC(=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+Cc1nonc1OCCn1nnnc1N,0,0.0,
+Cc1oc(-c2cc(Cl)ccc2Cl)cc1-c1nn2c(C)nnc2s1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)[n+]([O-])c1C,1,100.0,0.0
+Cc1oc(-c2ccc(Cl)cc2)cc1-c1nn2c(-c3ccco3)nnc2s1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)cc1-c1nn2c(-c3ccoc3C)nnc2s1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1,1,100.0,0.0
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N2CCc3ccccc3C2)CC1,1,100.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCCN2CCCC2=O)CC1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCCN2CCOCC2)CC1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCc2cccnc2)CC1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCc2ccco2)CC1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)C1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)N2CCc3ccccc32)C1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCCCN2CCCC2=O)C1,1,100.0,0.0
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCCCN2CCOCC2)C1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2ccccn2)C1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2cccnc2)C1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2ccco2)C1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1C[S+]([O-])CC(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1C[S+]([O-])CC(=O)NCCCN(C)C1CCCCC1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1C[S+]([O-])CC(=O)NCCN1CCCC1,0,0.0,
+Cc1oc(-c2ccc(Cl)cc2)nc1CSCC(=O)NCCCN1CCOCC1,0,0.0,
+Cc1oc(-c2ccc(F)cc2)cc1-c1nn2c(-c3ccco3)nnc2s1,0,0.0,
+Cc1oc(-c2ccc(F)cc2)cc1-c1nn2c(-c3ccoc3C)nnc2s1,0,0.0,
+Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)NC(CCC(=O)O)C(=O)O,0,0.0,
+Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)O,0,0.0,
+Cc1oc(-c2cccc(Cl)c2)[n+]([O-])c1C,0,0.0,
+Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1,0,0.0,
+Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1,0,0.0,
+Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCC2CCCO2)CC1,0,0.0,
+Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCCN2CCCC2=O)CC1,0,0.0,
+Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2cccnc2)CC1,0,0.0,
+Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2ccco2)CC1,0,0.0,
+Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(C(=O)NC(C)c2ccc3c(c2)OCCO3)C1,1,100.0,0.0
+Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(C(=O)NCCCN2CCOCC2)C1,0,0.0,
+Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(C(=O)NCc2ccco2)C1,0,0.0,
+Cc1oc(-c2ccccc2)[n+]([O-])c1C,0,0.0,
+Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(C(=O)O)c1,0,0.0,
+Cc1oc(-c2ccccc2)cc1C(N)=O,0,0.0,
+Cc1oc(-c2ccccc2)nc1C(=O)Nc1nccs1,0,0.0,
+Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NC(=O)NCC(C)C,0,0.0,
+Cc1oc(-c2ccccc2)nc1C[S+]([O-])CC(=O)N1CCc2ccccc2C1,0,0.0,
+Cc1oc(-c2ccccc2)nc1Cn1cccc1C1=NC(c2ccccc2)CO1,0,0.0,
+Cc1oc(-c2ccccc2Cl)cc1-c1nn2c(-c3ccco3)nnc2s1,0,0.0,
+Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N1CCCC1,0,0.0,
+Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NC1CC1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NC2CC2)CC1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NC2CCCCCCC2)CC1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCCC2=CCCCC2)CC1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2cccnc2)CC1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2ccco2)CC1,1,100.0,0.0
+Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2cccs2)CC1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCCCCC1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCOCC1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCc2ccccc21,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NC1CCCC1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCCN(C)C1CCCCC1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCCN1CCc2ccccc2C1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCCc1ccccc1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCN(C)C1CCCCC1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCc1ccco1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1C[S+]([O-])CC(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1oc(-c2ccccc2F)nc1C[S+]([O-])CC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+Cc1oc(-c2ccccc2F)nc1C[S+]([O-])CC(=O)NCc1cccs1,0,0.0,
+Cc1oc(-c2ccccc2F)nc1CSCC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+Cc1oc(-c2cccs2)[n+]([O-])c1C,0,0.0,
+Cc1oc(-c2cccs2)nc1C[S+]([O-])CC(=O)NC1CCCCCC1,0,0.0,
+Cc1oc(-c2cccs2)nc1C[S+]([O-])CC(=O)NCCCN1CC(C)CC(C)C1,0,0.0,
+Cc1oc(-c2cccs2)nc1C[S+]([O-])CC(=O)NCCCOC(C)C,0,0.0,
+Cc1oc(-c2cccs2)nc1C[S+]([O-])CC(=O)NCCc1ccccc1,0,0.0,
+Cc1oc(-c2nc3ccccc3n2C)cc1C(=O)c1ccccc1,0,0.0,
+Cc1oc(/N=C/c2c(O)ccc3ccccc23)c(C#N)c1C,0,0.0,
+Cc1oc(/N=C/c2ccc(Cl)cc2)c(C#N)c1C,0,0.0,
+Cc1oc(/N=C/c2ccc(Cl)cc2Cl)c(C#N)c1C,0,0.0,
+Cc1oc(/N=C/c2ccc3c(c2)OCO3)c(C#N)c1C,0,0.0,
+Cc1oc(/N=C/c2cccc3ccccc23)c(C#N)c1C,0,0.0,
+Cc1oc(/N=C/c2ccccc2O)c(C#N)c1C,0,0.0,
+Cc1oc(C(=O)Nc2ccc(O)cc2)cc1COc1ccccc1,0,0.0,
+Cc1oc(C(=O)O)cc1COc1ccc2c(C)cc(=O)oc2c1,0,0.0,
+Cc1oc(C(=O)O)cc1COc1ccc2c3c(c(=O)oc2c1C)CCCC3,0,0.0,
+Cc1oc(C(=O)O)cc1COc1cccc2cccnc12,0,0.0,
+Cc1oc(C(=O)O)cc1COc1ccccc1Cl,0,0.0,
+Cc1oc(C(=O)O)cc1CSCc1cc(C(=O)O)c(C)o1,0,0.0,
+Cc1oc(C(=O)O)cc1CSCc1ccoc1C(=O)O,0,0.0,
+Cc1oc(C(=O)O)cc1CSc1nnc(-c2ccccc2)n1C,0,0.0,
+Cc1oc(C(C)(C)C)c(CN2CCCC2)c1C(=O)O,0,0.0,
+Cc1oc(C(C)(C)C)cc1C(=O)NCC(=O)NCC(=O)O,0,0.0,
+Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(C(=O)O)cc1,0,0.0,
+Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+Cc1oc(C)c(C(=O)NCCCC(=O)O)c1C(=O)NCCCC(=O)O,0,0.0,
+Cc1oc(C)c(C(=O)O)c1COc1ccc(C(=O)O)cc1,0,0.0,
+Cc1oc(C)c(C(N)=O)c1C(N)=O,0,0.0,
+Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccc(F)cc1,0,0.0,
+Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccccc1,0,0.0,
+Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccccc1Cl,0,0.0,
+Cc1oc(C2CC2)cc1C(=O)O,0,0.0,
+Cc1oc(CC(C)C)c(CN2CCCC2)c1C(=O)O,0,0.0,
+Cc1oc(CC(C)C)cc1C(=O)Nc1ccc(C(=O)O)cc1,0,0.0,
+Cc1oc(CSCC2CCCO2)cc1C(=O)O,0,0.0,
+Cc1oc2c(C)c3oc(=O)c4c(c3cc2c1C)CCC4,0,0.0,
+Cc1oc2c(C)c3oc(=O)c4c(c3cc2c1C)CCCC4,0,0.0,
+Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1-c1ccc2ccccc2n1,0,0.0,
+Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1-c1cscn1,0,0.0,
+Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1,0,0.0,
+Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1-c1ccc(Cl)cc1,0,0.0,
+Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1-c1ccccc1,0,0.0,
+Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1Oc1ccccc1Br,0,0.0,
+Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1,0,0.0,
+Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccccc1,0,0.0,
+Cc1oc2c(O)c(O)ccc2c(=O)c1-c1ccccc1,0,0.0,
+Cc1oc2c(O)c(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1,0,0.0,
+Cc1oc2c(c(=O)c1C)C(=O)CC(c1ccccc1)C2,0,0.0,
+Cc1oc2c(c1C(=O)NC(Cc1c[nH]c3ccccc13)C(=O)O)CCCC2,0,0.0,
+Cc1oc2c(c1C(=O)NCc1cc(C(=O)O)co1)CCCC2,0,0.0,
+Cc1oc2c(c1C(=O)NCc1ccccc1)CCCC2,1,100.0,0.0
+Cc1oc2cc(O)cc(C)c2c(=O)c1-c1cnn(-c2ccccc2)c1,0,0.0,
+Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc2c(c1)OCCCO2,0,0.0,
+Cc1oc2cc(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1,0,0.0,
+Cc1oc2cc(O)ccc2c(=O)c1N1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1,0,0.0,
+Cc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1Br,0,0.0,
+Cc1oc2cc(OC(C)C(=O)O)ccc2c(=O)c1Oc1ccccc1,0,0.0,
+Cc1oc2cc(OCC(=O)O)ccc2c(=O)c1Oc1ccccc1,0,0.0,
+Cc1oc2cc3c(C(=O)N4CCCCC4)c(C)oc3cc2c1C(=O)N1CCCCC1,0,0.0,
+Cc1oc2cc3c(C(=O)N4CCN(C)CC4)c(C)oc3cc2c1C(=O)N1CCN(C)CC1,0,0.0,
+Cc1oc2cc3c(C(=O)OCCN(C)C)c(C)oc3cc2c1C(=O)OCCN(C)C,0,0.0,
+Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCC4,0,0.0,
+Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)c1ccc(Cl)cc1,0,0.0,
+Cc1oc2ccc(OC(=O)N(C)C)cc2c1C(=O)OC(C)C,0,0.0,
+Cc1oc2ccc(OCC(N)=O)cc2c1C(=O)OC(C)C,0,0.0,
+Cc1oc2ccccc2c1-c1cn2c(n1)SCC2,0,0.0,
+Cc1oc2nc(SCC(=O)N3CCCCC3)nc(N)c2c1C,0,0.0,
+Cc1oc2nc(SCC(=O)NC3CCCCC3)nc(N)c2c1C,0,0.0,
+Cc1oc2nc(SCC(=O)NCc3cccnc3)nc(N)c2c1C,0,0.0,
+Cc1oc2nc(SCCCC(=O)NCCCO)nc(N)c2c1C,0,0.0,
+Cc1oc2nc(SCCCC(=O)NCCO)nc(N)c2c1C,0,0.0,
+Cc1oc2ncnc(N)c2c1C,0,0.0,
+Cc1occc(=O)c1OC(=O)Nc1ccccc1,0,0.0,
+Cc1occc1-c1n[nH]c(-c2nc3ccccc3[nH]2)c1-c1ccccc1,0,0.0,
+Cc1occc1-c1nc(-c2ccccn2)no1,0,0.0,
+Cc1occc1-c1nc(-c2ccncc2)no1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1CC(C)C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)N2CCCc3ccccc32)n1Cc1ccco1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)N2CCN(c3ccccc3F)CC2)n1C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1CCc1ccccc1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1Cc1ccco1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)o1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)N2CCc3ccccc32)o1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)n1C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)NC(=O)NC(C)C)n1N,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)NC(C)(C)C)n1C(C)c1ccccc1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)NCC2CCCO2)n1C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)NCCc2ccccc2)n1C(C)c1ccccc1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)NCCc2ccccc2)n1Cc1ccccc1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1CC(C)C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)NCc2ccco2)n1CC(C)C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)NCc2cccs2)n1-c1ccc(F)cc1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)NCc2cccs2)n1CC1CCCO1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1Cc1ccccc1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1CC1CCCO1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1C(C)c1ccccc1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1Cc1ccccc1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2N2CCCCC2)n1C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1CCc1ccccc1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1Cc1ccco1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)n1C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)c2c[nH]c3ccccc23)n1C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)c2cc3ccccc3oc2=O)o1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1CC1CCCO1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1Cc1ccco1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)c2ccc(F)cc2)o1,0,0.0,
+Cc1occc1-c1nnc(SCC(=O)c2ccccc2)n1CC1CCCO1,0,0.0,
+Cc1occc1-c1nnc(SCCCC(=O)c2ccc(F)cc2)n1C,0,0.0,
+Cc1occc1-c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1C,0,0.0,
+Cc1occc1-c1nnc(SCc2nc3ccccc3c(=O)n2CC#N)n1C,0,0.0,
+Cc1occc1-c1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1C,0,0.0,
+Cc1occc1-c1nnc2sc(-c3ccc(-c4ccc(Cl)cc4)o3)nn12,0,0.0,
+Cc1occc1C(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1occc1C(=O)N1CCCc2ccccc21,0,0.0,
+Cc1occc1C(=O)N1CCN(C(=O)C2CCCO2)CC1,0,0.0,
+Cc1occc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+Cc1occc1C(=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+Cc1occc1C(=O)N1CCN(S(C)(=O)=O)CC1,0,0.0,
+Cc1occc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+Cc1occc1C(=O)N1CCN(c2ncccn2)CC1,0,0.0,
+Cc1occc1C(=O)N1CCc2ccccc21,0,0.0,
+Cc1occc1C(=O)NC(C)C(C)(C)C,0,0.0,
+Cc1occc1C(=O)NC(C)C1CCCO1,0,0.0,
+Cc1occc1C(=O)NC(C)CCc1ccccc1,0,0.0,
+Cc1occc1C(=O)NC(C)c1ccc2c(c1)OCO2,0,0.0,
+Cc1occc1C(=O)NC1CCCCCC1,0,0.0,
+Cc1occc1C(=O)NC1CCCc2ccccc21,0,0.0,
+Cc1occc1C(=O)NCCCCNC(=O)c1ccoc1C,0,0.0,
+Cc1occc1C(=O)NCCCc1ccccc1,0,0.0,
+Cc1occc1C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+Cc1occc1C(=O)NCc1cccc(CNC(=O)c2ccoc2C)c1,0,0.0,
+Cc1occc1C(=O)NCc1ccccc1F,0,0.0,
+Cc1occc1C(=O)NCc1ccccn1,0,0.0,
+Cc1occc1C(=O)NCc1cccs1,0,0.0,
+Cc1occc1C(=O)Nc1c(F)cc(F)cc1Br,0,0.0,
+Cc1occc1C(=O)Nc1cc(=O)n(C)c(=O)n1C,0,0.0,
+Cc1occc1C(=O)Nc1cc(C(C)(C)C)on1,0,0.0,
+Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,0,0.0,
+Cc1occc1C(=O)Nc1ccc2c(c1)CCC2,0,0.0,
+Cc1occc1C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+Cc1occc1C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1occc1C(=O)Nc1ccc2ccccc2c1,0,0.0,
+Cc1occc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1,0,0.0,
+Cc1occc1C(=O)Nc1cccc(Cn2cccn2)c1,0,0.0,
+Cc1occc1C(=O)Nc1cccc2ccccc12,0,0.0,
+Cc1occc1C(=O)Nc1ccccc1C(=O)O,0,0.0,
+Cc1occc1C(=O)Nc1ccccc1NC(=O)c1ccoc1C,0,0.0,
+Cc1occc1C(=O)Nc1cccnc1,0,0.0,
+Cc1occc1C(=O)Nc1nccs1,0,0.0,
+Cc1occc1C(=O)Nc1nn[nH]n1,0,0.0,
+Cc1occc1C(=O)Nc1nnc(-c2ccncc2)s1,0,0.0,
+Cc1occc1C(=O)Nc1nnc(C(F)(F)F)s1,0,0.0,
+Cc1occc1C(=O)Nc1nnc(C2CCCCC2)s1,0,0.0,
+Cc1occc1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2,0,0.0,
+Cc1occc1C(=O)OCC(=O)Nc1ccc(F)cc1,0,0.0,
+Cc1occc1C(=O)n1cnc2ccccc21,0,0.0,
+Cc1occc1C(=O)n1nnc2ccccc21,0,0.0,
+Cc1ocnc1C(=O)Nc1ccc(Cl)cc1,0,0.0,
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccccc21,1,100.0,1.0
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(C)(C)CO,0,0.0,
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC1CCCO1,0,0.0,
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCCN1CCOCC1,0,0.0,
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCN1CCOCC1,0,0.0,
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccco1,0,0.0,
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCCO2,1,100.0,1.0
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nn1cnnc1,0,0.0,
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(N)=O,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCc2ccccc21,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(S(C)(=O)=O)CC1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCc2ccccc2C1,1,100.0,0.0
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1=NCCS1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC1COc2ccccc2O1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCN1CCOCC1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccn1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccco1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cccs1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(Cn2cccn2)c1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc2nsnc12,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc2c(s1)CCCC2,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(C2CC2)s1,1,100.0,1.0
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NCc1ccco1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCN1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCn1nnc2ccccc2c1=O,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N1CC(C)OC(C)C1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N1CCC2(CC1)OCCO2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N1CCCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N1CCCSC1=Nc1ccccc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N1CCCc2ccccc21,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N1CCN(CCc2ccccc2)CC1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N1CCOCC1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc21,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)NC(C)C,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)NC(C)C1CCCO1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)NC(CC(=O)O)c1ccc(OC(C)C)cc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)NCC1CCCO1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)NCCN1CCOCC1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)NCCc1c[nH]c2ccccc12,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccn1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)NCc1cccnc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)NCc1ccco1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OC(C)C)cc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(C)cc(=O)oc2c1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C#N)c1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(OC(C)C)c1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2nsnc12,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1cccnc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccncc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccnn1C1CCCCC1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)CCCC2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(N(C)Cc2ccccc2)s1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(N2CCCCCC2)s1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCC(C)C2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCC2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccccc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Oc1cccnc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)n1cccn1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)n1nnc2ccccc21,0,0.0,
+Cc1onc(-c2ccccc2)c1C(N)=O,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)C1CCCCC1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(C)OC(C)C1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC1C(=O)O,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCc2ccccc21,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1cccnc1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2ccccc21,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCS(=O)(=O)C1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(=O)O,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCCO1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCCCN1CCOCC1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1CCOCC1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1Cc2ccccc2C1=O,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1c(C)cc2ccccc21,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccc2ccccc21,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(N2CCCC2=O)cc1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc2c(c1)cc(C)n2C,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccn1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccnc1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccco1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nc(-c2ccccc2)no1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(=O)n(C)c(=O)n1C,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1,1,100.0,1.0
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-n2nncc2-c2ccco2)cc1,1,100.0,1.0
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-n2nncc2C(C)(C)C)cc1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CN2CCCC2)cc1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)c(F)c1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1,1,100.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2cccnc12,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2nsnc12,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C(=O)NC(C)C,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C(N)=O,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccnc1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnn(Cc2ccccc2)c1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nn[nH]n1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccc(F)cc2)s1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(C(C)C)s1,1,100.0,1.0
+Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N1CCCc2ccccc21,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)OCN1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)OCn1nnc2ccccc2c1=O,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(F)cc2)n1,0,0.0,
+Cc1onc(-c2ccccc2Cl)c1C(N)=O,0,0.0,
+Cc1onc(-c2ccncc2)c1C(=O)O,0,0.0,
+Cc1onc(C(=O)N2CCC(C(N)=O)CC2)c1-c1ccccc1Cl,0,0.0,
+Cc1onc(COc2ccccc2O)c1Br,0,0.0,
+Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,0,0.0,
+Cc1oncc1C(=S)Nc1ccccc1,0,0.0,
+Cc1sc(-n2c(C)cc(/C=N/n3cnnc3)c2C)c(C#N)c1C,0,0.0,
+Cc1sc(-n2c(C)ccc2C)c(C#N)c1C,0,0.0,
+Cc1sc(-n2cccc2)c(C(=O)O)c1C,0,0.0,
+Cc1sc(C(=O)NCc2cccnc2)c2nc(C)n(CC(=O)NCc3cccnc3)c(=O)c12,0,0.0,
+Cc1sc(CO)c(Sc2ccccc2)c1C(=O)O,0,0.0,
+Cc1sc(NC(=O)C2CCCO2)c(C#N)c1C,0,0.0,
+Cc1sc(NC(=O)CCCC(=O)O)c(C#N)c1C,0,0.0,
+Cc1sc(NC(=O)CN2CCN(c3ccccn3)CC2)c(C#N)c1C,0,0.0,
+Cc1sc(NC(=O)COc2cccc(-n3cnnn3)c2)c(C#N)c1C,0,0.0,
+Cc1sc(NC(=O)CSc2nc(N)n(CC(=O)c3ccccc3)n2)c(C#N)c1C,0,0.0,
+Cc1sc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C#N)c1C,0,0.0,
+Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C#N)c1C,0,0.0,
+Cc1sc(NC(=O)CSc2nnc(C)c(=O)[nH]2)c(C#N)c1C,0,0.0,
+Cc1sc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)c(C#N)c1C,0,0.0,
+Cc1sc(NC(=O)CSc2nnc(COc3ccccc3)n2C)c(C#N)c1C,0,0.0,
+Cc1sc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)c(C#N)c1C,0,0.0,
+Cc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C,0,0.0,
+Cc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1C,0,0.0,
+Cc1sc(NC(=O)c2ccccc2)c(C(=O)N2CCN(C)CC2)c1C,0,0.0,
+Cc1sc(NC(=O)c2ccco2)c(C(c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)c1C,0,0.0,
+Cc1sc(NC(=O)c2ccco2)c(C(c2ccncc2)N2CCOCC2)c1C,0,0.0,
+Cc1sc(NC(=O)c2ccco2)c(CN2CCCCC2)c1C,0,0.0,
+Cc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccccn3)CC2)c1C,0,0.0,
+Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)CC(C)N2C(=O)C1CC1,1,100.0,
+Cc1sc(NC(=O)c2cccs2)c(C(N)=O)c1C,0,0.0,
+Cc1sc(NC(=O)c2cccs2)nc1-c1ccccc1,0,0.0,
+Cc1sc(NC(=O)c2oc3ccccc3c2C)c(C#N)c1C,0,0.0,
+Cc1sc2c(=O)n3c(nc2c1C(=O)NCCCN1CCOCC1)CCCCC3,0,0.0,
+Cc1sc2c(c1C)C(=O)NC(c1cccc(O)c1)N2,0,0.0,
+Cc1sc2c(c1C)C(c1cccs1)=NCC(=O)N2CC(=O)NCc1cccs1,0,0.0,
+Cc1sc2c(c1C)CN(C1CC(C)(C)NC(C)(C)C1)CN2C(=O)c1ccco1,0,0.0,
+Cc1sc2c(c1C)CN(Cc1ccco1)CN2C(=O)c1ccccc1,0,0.0,
+Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c1nnc(C)n21,0,0.0,
+Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c1nncn21,0,0.0,
+Cc1sc2nc(-c3ccco3)oc(=O)c2c1C,0,0.0,
+Cc1sc2nc(-c3cccs3)nc(N3CCCN(C)CC3)c2c1C,1,100.0,
+Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)c2c1C,0,0.0,
+Cc1sc2nc(C(C)C)nc(SCC(=O)NCc3ccco3)c2c1C,0,0.0,
+Cc1sc2nc(C(C)Nc3ccccc3N3CCOCC3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(C(C)Sc3nnc(C)n3-c3ccccc3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(C3CC3)nc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2c1C,0,0.0,
+Cc1sc2nc(C3CC3)nc(NCCNS(C)(=O)=O)c2c1C,0,0.0,
+Cc1sc2nc(C3CC3)nc(SCC(=O)NCc3ccco3)c2c1C,0,0.0,
+Cc1sc2nc(CN(C(=O)c3cccs3)C3CCCC3)[nH]c(=O)c2c1C,1,100.0,
+Cc1sc2nc(CN(CCc3ccccc3)C(=O)c3ccco3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(CN(Cc3cccs3)C(=O)C3CC3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(CN(Cc3cccs3)C(=O)NC3CCCCC3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(CN3CCCC3)nc(N3CCN(S(=O)(=O)c4cccs4)CC3)c2c1C,1,100.0,1.0
+Cc1sc2nc(CN3CCN(S(=O)(=O)c4cccc5nonc45)CC3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(CN3CCOCC3)nc(N3CCC(C(N)=O)CC3)c2c1C,0,0.0,
+Cc1sc2nc(CN3CCOCC3)nc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2c1C,0,0.0,
+Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(NC(=O)c4ccco4)cc3)c2c1C,0,0.0,
+Cc1sc2nc(CSc3nc4ccccc4c(=O)n3CCCN3CCOCC3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(N)sc2c1C,0,0.0,
+Cc1sc2nc(NCCO)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SC(C)C)nc(N)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)N(C)C)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)N(CCO)CCO)n(C3CCCCC3)c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)N3CCCC3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)N3CCCCC3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)N3CCN(CCO)CC3)n(-c3ccccc3)c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)N3CCOCC3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)NCCO)n(C)c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)NCCOCCO)n(C)c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)NCc3ccco3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)NCc3ccco3)n(C)c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)NCc3ccco3)n(CCc3ccccc3)c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)NCc3cccs3)[nH]c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n(C)c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)OC(C)C)n(C)c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)c3cc(C)n(CC4CCCO4)c3C)n(C(C)C)c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCC(=O)c3cccs3)n(Cc3ccco3)c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCc3nc4ccccc4[nH]3)n(Cc3ccco3)c(=O)c2c1C,0,0.0,
+Cc1sc2nc(SCc3nnc(-c4cccs4)o3)n(C3CCCC3)c(=O)c2c1C,0,0.0,
+Cc1sc2nc3c(C(=O)N4CCN(c5ncccn5)CC4)cccn3c(=O)c2c1C,0,0.0,
+Cc1sc2nc3c4ccccc4c(NCc4ccco4)nn3c(=O)c2c1C,0,0.0,
+Cc1sc2nc3ccc(N4CCCC4)nn3c(=O)c2c1C,0,0.0,
+Cc1sc2nc3ccc(N4CCCCC4)nn3c(=O)c2c1C,1,100.0,0.0
+Cc1sc2nc3n(c(=O)c2c1C)CCCS3,0,0.0,
+Cc1sc2nc3n(c(=O)c2c1C)Cc1ccccc1-3,0,0.0,
+Cc1sc2nc3n(c(=O)c2c1C)NC(=O)CC3,0,0.0,
+Cc1sc2ncn(-n3c(C)ccc3C)c(=O)c2c1C,0,0.0,
+Cc1sc2ncn(CC(=O)N(CC(=O)NC3CCCC3)Cc3cccs3)c(=O)c2c1C,0,0.0,
+Cc1sc2ncn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c1C,0,0.0,
+Cc1sc2ncn(CC(=O)NCC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c1C,0,0.0,
+Cc1sc2ncn(CC(=O)NCCCC(=O)N3CCN(c4ccccn4)CC3)c(=O)c2c1C,0,0.0,
+Cc1sc2ncn(CC(=O)NCCCC(=O)N3CCN(c4ncccn4)CC3)c(=O)c2c1C,0,0.0,
+Cc1sc2ncn(CC(=O)NCc3ccccn3)c(=O)c2c1S(=O)(=O)N1CCOCC1,0,0.0,
+Cc1sc2ncn(CC(=O)OC(C)C(=O)NC(C)(C)C)c(=O)c2c1C,0,0.0,
+Cc1sc2ncn(CC(=O)OCC(=O)NC(C)(C)C)c(=O)c2c1C,0,0.0,
+Cc1sc2ncn(CCC(=O)O)c(=O)c2c1C,0,0.0,
+Cc1sc2ncn(CCn3cnc4sc(C)c(C)c4c3=O)c(=O)c2c1C,0,0.0,
+Cc1sc2ncn3c(C)nnc3c2c1C,0,0.0,
+Cc1sc2ncn3cnnc3c2c1C,0,0.0,
+Cc1sc2ncn3ncnc3c2c1C,0,0.0,
+Cc1sc2ncnc(-n3cnc4ccccc43)c2c1C,0,0.0,
+Cc1sc2ncnc(N3CCCCC3C)c2c1C,0,0.0,
+Cc1sc2ncnc(N3CCN(c4ncccn4)CC3)c2c1C,0,0.0,
+Cc1sc2ncnc(NCC(c3ccco3)N(C)C)c2c1C,1,100.0,0.0
+Cc1sc2ncnc(NCCCO)c2c1C,0,0.0,
+Cc1sc2ncnc(NCCCn3ccnc3)c2c1C,0,0.0,
+Cc1sc2ncnc(NCc3ccco3)c2c1C,0,0.0,
+Cc1sc2ncnc(N[C@@H](CCC(=O)O)C(=O)O)c2c1C,0,0.0,
+Cc1sc2ncnc(OCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2c1C,0,0.0,
+Cc1sc2ncnc(OCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1C,0,0.0,
+Cc1sc2ncnc(OCC(=O)NCC3CCCO3)c2c1C,0,0.0,
+Cc1sc2ncnc(OCC(=O)NCc3cccs3)c2c1C,0,0.0,
+Cc1sc2ncnc(OCC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2c1C,1,100.0,0.0
+Cc1sc2ncnc(Oc3ccc(-n4ccnc4)cc3)c2c1C,0,0.0,
+Cc1sc2ncnc(SC(C)C#N)c2c1C,0,0.0,
+Cc1sc2ncnc(SCC#N)c2c1C,0,0.0,
+Cc1sc2ncnc(SCC(=O)N3CCCC3)c2c1C,0,0.0,
+Cc1sc2ncnc(SCC(=O)N3CCCC3=O)c2c1C,1,100.0,0.0
+Cc1sc2ncnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)c2c1C,0,0.0,
+Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C,0,0.0,
+Cc1sc2ncnc(SCc3ccco3)c2c1C,0,0.0,
+Cc1sc2ncnc(SCc3nnc(-c4ccccc4)o3)c2c1C,0,0.0,
+Cc1sc2ncnc(Sc3nnc4sc5ccccc5n34)c2c1C,0,0.0,
+Cc1sc2ncnc(Sc3nnnn3-c3ccc(Cl)cc3)c2c1C,0,0.0,
+Cc1sc2ncnc(Sc3nnnn3-c3ccccc3)c2c1C,0,0.0,
+Cc1sc2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)c2c1C,0,0.0,
+Cc1scc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1ccccc1,0,0.0,
+Cc1scc(C(=O)NCc2ccco2)c1-c1ccccc1,0,0.0,
+Cc1scc(C(=O)Nc2ccon2)c1-c1ccccc1,0,0.0,
+Cc1scc(C(=O)Nn2cnnc2)c1-c1ccccc1,0,0.0,
+Cc1sccc1C1C(C#N)=C(N)SC(N)=C1C#N,0,0.0,
+ClC(Br)=C(n1cnc2ccccc21)n1cnc2ccccc21,0,0.0,
+ClC1=CCC2CN(CCN3CCCCC3)CC2C1,0,0.0,
+Clc1c(-c2nnc3n2CCC3)sc2ccccc12,0,0.0,
+Clc1c(-c2nnc3n2CCCCC3)sc2ccccc12,0,0.0,
+Clc1c(CSc2nc3ccccc3o2)nc2ccccn12,0,0.0,
+Clc1c(CSc2nc3ccccc3o2)nc2sccn12,0,0.0,
+Clc1cc(Br)ccc1OCCOCCN1CCOCC1,1,100.0,0.0
+Clc1cc(Br)ccc1OCCn1ccnc1,1,100.0,1.0
+Clc1cc(Cl)c(OCc2nc(-c3ccccn3)no2)cc1Cl,0,0.0,
+Clc1cc(Cl)c2nc(N3CCCC3)sc2c1,0,0.0,
+Clc1cc(Cl)c2nc(N3CCCCC3)sc2c1,0,0.0,
+Clc1cc(NCc2cccs2)ccc1N1CCOCC1,0,0.0,
+Clc1cc2c(c(Cn3cnc4ccccc43)c1)OCOC2,0,0.0,
+Clc1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)cc1,0,0.0,
+Clc1ccc(-c2cn3c(n2)CCC3)cc1,0,0.0,
+Clc1ccc(-c2nc(-c3ccccn3)no2)cc1Cl,0,0.0,
+Clc1ccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)cc1,0,0.0,
+Clc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1,0,0.0,
+Clc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1,0,0.0,
+Clc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,0,0.0,
+Clc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)c(Cl)c1,0,0.0,
+Clc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)c(Cl)c1,0,0.0,
+Clc1ccc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)cc1,0,0.0,
+Clc1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c(Cl)c1,0,0.0,
+Clc1ccc(-c2nnc(-c3ccc(Br)o3)o2)c(Cl)c1,0,0.0,
+Clc1ccc(-c2nnc(-c3ccccc3)o2)c(Cl)c1,0,0.0,
+Clc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1,0,0.0,
+Clc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+Clc1ccc(-c2nnc(N3CCCC3)nn2)cc1,0,0.0,
+Clc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1,0,0.0,
+Clc1ccc(-c2nnc(SCc3ccon3)o2)c(Cl)c1,0,0.0,
+Clc1ccc(-c2nnc(SCc3cn4ccsc4n3)n2CC2CCCO2)cc1,0,0.0,
+Clc1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)o2)cc1,0,0.0,
+Clc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)c(Cl)c1,0,0.0,
+Clc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1,0,0.0,
+Clc1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1,0,0.0,
+Clc1ccc(-c2nnc3sc(-c4ccco4)nn23)c(Cl)c1,0,0.0,
+Clc1ccc(-c2nnc3sc(Cc4cccs4)nn23)c(Cl)c1,0,0.0,
+Clc1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1,0,0.0,
+Clc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,0,0.0,
+Clc1ccc(-c2noc(CN3CCCC3)n2)cc1,0,0.0,
+Clc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,0,0.0,
+Clc1ccc(-c2noc(COc3ccccc3)n2)cc1,0,0.0,
+Clc1ccc(-n2cnnn2)cc1,0,0.0,
+Clc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1,0,0.0,
+Clc1ccc(-n2ncc3c(N4CCCCCC4)ncnc32)cc1,0,0.0,
+Clc1ccc(-n2ncc3c(NCC4CCCO4)ncnc32)cc1,0,0.0,
+Clc1ccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)cc1,0,0.0,
+Clc1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1,0,0.0,
+Clc1ccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)cc1,0,0.0,
+Clc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1,0,0.0,
+Clc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1,0,0.0,
+Clc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1,0,0.0,
+Clc1ccc(-n2nnnc2-c2ccccc2)cc1,0,0.0,
+Clc1ccc(-n2nnnc2-c2ccccc2)cc1Cl,1,100.0,0.0
+Clc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3sccn23)cc1,0,0.0,
+Clc1ccc(-n2nnnc2Sc2ncnc3sccc23)cc1,0,0.0,
+Clc1ccc(Br)cc1-c1nc(-c2cccnc2)no1,0,0.0,
+Clc1ccc(Br)cc1-c1nc(-c2ccncc2)no1,0,0.0,
+Clc1ccc(C(c2nnnn2C2CCCC2)N2CCN(Cc3ccncc3)CC2)cc1,0,0.0,
+Clc1ccc(C(c2nnnn2C2CCCC2)N2CCSCC2)cc1,0,0.0,
+Clc1ccc(C2=CSC3=NCCN23)cc1Cl,1,100.0,0.0
+Clc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)s1,0,0.0,
+Clc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1,0,0.0,
+Clc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1Cl,0,0.0,
+Clc1ccc(C2CC(c3ccccc3)Nc3ncnn32)cc1,0,0.0,
+Clc1ccc(C2CC(c3ccco3)n3ncnc3N2)cc1Cl,0,0.0,
+Clc1ccc(C2CC(c3cccs3)n3ncnc3N2)c(Cl)c1,0,0.0,
+Clc1ccc(C2CC(c3cccs3)n3ncnc3N2)cc1Cl,0,0.0,
+Clc1ccc(C2Nc3ccccc3-n3cccc32)cc1,0,0.0,
+Clc1ccc(C=NC23CN4CN(CN(C4)C2)C3)cc1,0,0.0,
+Clc1ccc(CCNc2ncnc3nc[nH]c23)cc1,1,100.0,
+Clc1ccc(CN2C3=NCCCN3c3ccccc32)cc1,0,0.0,
+Clc1ccc(CN2C3=NCCN3c3ccccc32)cc1,0,0.0,
+Clc1ccc(CN2C3=NCCN3c3ccccc32)cc1Cl,1,100.0,1.0
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,0,0.0,
+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,0,0.0,
+Clc1ccc(COc2ccccn2)c(Cl)c1,0,0.0,
+Clc1ccc(COn2nnc3ccccc32)c(Cl)c1,0,0.0,
+Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,0,0.0,
+Clc1ccc(CSC2=NCCCN2)cc1Cl,1,100.0,1.0
+Clc1ccc(CSc2cn3c(n2)CCC3)cc1,0,0.0,
+Clc1ccc(CSc2ncccn2)cc1,0,0.0,
+Clc1ccc(CSc2ncn[nH]2)cc1,0,0.0,
+Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)c1,0,0.0,
+Clc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(Cl)c1,0,0.0,
+Clc1ccc(CSc2nnc(-c3ccncc3)o2)c(Cl)c1,0,0.0,
+Clc1ccc(CSc2nnc(-c3ccncc3)o2)cc1,0,0.0,
+Clc1ccc(CSc2nnc(Cn3cnc4ccccc43)o2)cc1,0,0.0,
+Clc1ccc(CSc2nnc([C@@H]3CCCN3)o2)cc1,0,0.0,
+Clc1ccc(CSc2nnc([C@@H]3CCCN3)o2)cc1Cl,0,0.0,
+Clc1ccc(CSc2nncn2-c2ccccn2)cc1,0,0.0,
+Clc1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1,0,0.0,
+Clc1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,0,0.0,
+Clc1ccc(Cc2nnc(-c3ccccc3Br)o2)cc1,0,0.0,
+Clc1ccc(Cc2nnc(-c3cccs3)o2)cc1,0,0.0,
+Clc1ccc(Cc2noc(-c3cccs3)n2)cc1,0,0.0,
+Clc1ccc(Cc2noc(CN3CCN(c4ccccc4)CC3)n2)c(Cl)c1,0,0.0,
+Clc1ccc(Cc2noc(Cc3ccccc3)n2)cc1Cl,1,100.0,
+Clc1ccc(Cl)c(-c2ccc(/C=N/c3ncn[nH]3)o2)c1,0,0.0,
+Clc1ccc(Cl)c(-c2nn3c(COc4ccccc4)nnc3s2)c1,0,0.0,
+Clc1ccc(Cl)c(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1,0,0.0,
+Clc1ccc(Cl)c(OCCN2CCOCC2)c1,0,0.0,
+Clc1ccc(Cl)c2sc(N3CCCC3)nc12,0,0.0,
+Clc1ccc(Cl)c2sc(N3CCOCC3)nc12,0,0.0,
+Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,0,0.0,
+Clc1ccc(Cn2cc(/C=N/n3cnnc3)c3ccccc32)cc1,0,0.0,
+Clc1ccc(Cn2cc(Br)cn2)cc1Cl,0,0.0,
+Clc1ccc(Cn2cccc2C2=NCCO2)cc1,0,0.0,
+Clc1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)c(Cl)c1,0,0.0,
+Clc1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)cc1,0,0.0,
+Clc1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1,0,0.0,
+Clc1ccc(Cn2ncc3c(NCCN4CCOCC4)ncnc32)cc1,0,0.0,
+Clc1ccc(Cn2ncc3c(NCc4cccnc4)ncnc32)cc1,0,0.0,
+Clc1ccc(Cn2ncc3c(NCc4ccco4)ncnc32)c(Cl)c1,0,0.0,
+Clc1ccc(Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)cc1,0,0.0,
+Clc1ccc(Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1,0,0.0,
+Clc1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1,0,0.0,
+Clc1ccc(NC2=NCCC2)cc1Cl,0,0.0,
+Clc1ccc(NC2=NCCCCC2)cc1,0,0.0,
+Clc1ccc(NCc2nnc3n2CCCCC3)cc1,0,0.0,
+Clc1ccc(NCc2nncn2-c2ccccc2)cc1,0,0.0,
+Clc1ccc(NCn2cncn2)nc1,0,0.0,
+Clc1ccc(Nc2nc(-c3cccs3)cs2)nc1,0,0.0,
+Clc1ccc(Nc2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)cc1,0,0.0,
+Clc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1,0,0.0,
+Clc1ccc(OCCCc2nc(-c3cccnc3)no2)c(Cl)c1,0,0.0,
+Clc1ccc(OCCCn2cncn2)cc1Cl,0,0.0,
+Clc1ccc(OCCN2CCN(c3ncnc4sccc34)CC2)cc1,1,100.0,
+Clc1ccc(OCCn2ccnc2)c(Cl)c1,1,100.0,1.0
+Clc1ccc(OCCn2ccnc2)c2ccccc12,0,0.0,
+Clc1ccc(OCCn2cnc3ccccc32)cc1,0,0.0,
+Clc1ccc(OCc2cn3cccnc3n2)c2ncccc12,0,0.0,
+Clc1ccc(OCc2nc(-c3ccccn3)n[nH]2)cc1,0,0.0,
+Clc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1,0,0.0,
+Clc1ccc(OCc2nc(-c3ccncc3)no2)c(Br)c1,0,0.0,
+Clc1ccc(OCc2nc(-c3ccncc3)no2)c(Cl)c1,0,0.0,
+Clc1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)c(Cl)c1,0,0.0,
+Clc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)c(Cl)c1,0,0.0,
+Clc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1,0,0.0,
+Clc1ccc(OCc2nn3c(-c4ccncc4)nnc3s2)cc1,0,0.0,
+Clc1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)c(Cl)c1,0,0.0,
+Clc1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)cc1,0,0.0,
+Clc1ccc(OCc2nnc(-c3ccccc3Br)o2)c(Cl)c1,0,0.0,
+Clc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1,0,0.0,
+Clc1ccc(OCc2nnc(SCCN3CCCCC3)n2Cc2ccco2)cc1,1,100.0,1.0
+Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1,0,0.0,
+Clc1ccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)c(Cl)c1,0,0.0,
+Clc1ccc(OCc2nnc3n2N=C(c2ccc4c(c2)OCCO4)CS3)c(Cl)c1,0,0.0,
+Clc1ccc(Oc2cccc(/C=N/n3cnnc3)c2)cc1,0,0.0,
+Clc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C2CCCCC2)c1,0,0.0,
+Clc1ccc(SCCCCn2ccnc2)cc1,0,0.0,
+Clc1ccc(SCCCCn2cncn2)cc1,0,0.0,
+Clc1ccc(SCCn2ccnc2)cc1,0,0.0,
+Clc1ccc(SCCn2cncn2)cc1,0,0.0,
+Clc1ccc(SCc2cn3ccsc3n2)cc1,0,0.0,
+Clc1ccc(Sc2oc(/C=N/n3cnnc3)cc2Br)cc1,0,0.0,
+Clc1ccc2[nH]c3c(NCC4CCCO4)ncnc3c2c1,0,0.0,
+Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1,0,0.0,
+Clc1ccc2[nH]c3c(NCCN4CCOCC4)ncnc3c2c1,0,0.0,
+Clc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3,0,0.0,
+Clc1ccc2c(N3CCCC3)ccnc2c1,1,100.0,0.0
+Clc1ccc2c(N3CCNCC3)ccnc2c1,0,0.0,
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,1,100.0,1.0
+Clc1ccc2c(c1)C1OCCC1C(c1ccco1)N2,0,0.0,
+Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCCCC1)O2,0,0.0,
+Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2,0,0.0,
+Clc1ccc2c(c1)CNc1c(ncnc1N1CCOCC1)O2,1,100.0,
+Clc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccco1)N2,0,0.0,
+Clc1ccc2c(c1)c1ccccc1n2CN1CCOCC1,0,0.0,
+Clc1ccc2nc(CN3CCCCC3)cn2c1,0,0.0,
+Clc1ccc2nc(CN3CCCc4ccccc43)cn2c1,0,0.0,
+Clc1ccc2nc(CSc3nc4ccccc4o3)cn2c1,0,0.0,
+Clc1ccc2nc(CSc3nnc(-c4c[nH]c5ccccc45)o3)cn2c1,0,0.0,
+Clc1ccc2nc(N3CCCCC3)[nH]c2c1,0,0.0,
+Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1,0,0.0,
+Clc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(-c3ccccc3)c2c1,1,100.0,
+Clc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1,0,0.0,
+Clc1ccc2nc3ccccn3c2c1,0,0.0,
+Clc1ccc2oc(-c3ccccn3)nc2c1,0,0.0,
+Clc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1,0,0.0,
+Clc1cccc(-c2ccc(/C=N/n3cnnc3)o2)c1,0,0.0,
+Clc1cccc(-c2nc(-c3ccccn3)no2)c1,0,0.0,
+Clc1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)c1,0,0.0,
+Clc1cccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)c1,0,0.0,
+Clc1cccc(-c2nn3c(-c4ccncc4)nnc3s2)c1,0,0.0,
+Clc1cccc(-c2nn3c(COc4ccccc4)nnc3s2)c1,0,0.0,
+Clc1cccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1,0,0.0,
+Clc1cccc(-c2nnc(-c3ccccc3)o2)c1,1,100.0,0.0
+Clc1cccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)c1,0,0.0,
+Clc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1,0,0.0,
+Clc1cccc(CN2CCCCC2c2cccnc2)c1,0,0.0,
+Clc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1,0,0.0,
+Clc1cccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1,0,0.0,
+Clc1cccc(CSc2nnc([C@@H]3CCCN3)o2)c1,0,0.0,
+Clc1cccc(Cl)c1-c1nnc2ccc(N3CCOCC3)nn12,0,0.0,
+Clc1cccc(Cl)c1COc1ccccn1,0,0.0,
+Clc1cccc(Cl)c1COc1ccncc1,0,0.0,
+Clc1cccc(Cl)c1Cn1cnc(=NCc2ccco2)c2[nH]cnc21,0,0.0,
+Clc1cccc(Cl)c1Cn1cnc2c(N3CCCCCC3)ncnc21,0,0.0,
+Clc1cccc(N2CCN(CCNc3nc4ccccc4n4cnnc34)CC2)c1,0,0.0,
+Clc1cccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1,0,0.0,
+Clc1cccc(NCc2nnc(SCc3ccccc3)o2)c1,0,0.0,
+Clc1cccc(Nc2c3c(nc4ncnn24)CCC3)c1,0,0.0,
+Clc1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1,0,0.0,
+Clc1cccc(OCCN2CCOCC2)c1,0,0.0,
+Clc1cccc(OCCn2cncn2)c1Cl,0,0.0,
+Clc1cccc2sc(N3CCCC3)nc12,0,0.0,
+Clc1cccc2sc(N3CCCCC3)nc12,0,0.0,
+Clc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12,0,0.0,
+Clc1cccc2sc(N3CCOCC3)nc12,0,0.0,
+Clc1ccccc1-c1ccc(/C=N/n2cnnc2)o1,0,0.0,
+Clc1ccccc1-c1nc(-c2ccccc2)n[nH]1,0,0.0,
+Clc1ccccc1-c1nc(-c2cccnc2)no1,0,0.0,
+Clc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1,0,0.0,
+Clc1ccccc1-c1nn2c(COc3ccccc3)nnc2s1,0,0.0,
+Clc1ccccc1-c1nn2c(Cn3cnc4ccccc43)nnc2s1,0,0.0,
+Clc1ccccc1-c1nnc2sc(-c3ccc(Br)o3)nn12,0,0.0,
+Clc1ccccc1-c1nnc2sc(-c3ccc4c(c3)OCO4)nn12,0,0.0,
+Clc1ccccc1-c1nnc2sc(-c3ccccn3)nn12,0,0.0,
+Clc1ccccc1-c1nnc2sc(-c3ccco3)nn12,0,0.0,
+Clc1ccccc1-c1nnc2sc(-c3cccs3)nn12,0,0.0,
+Clc1ccccc1-c1nnc2sc(-c3ccncc3)nn12,0,0.0,
+Clc1ccccc1-c1nnc2sc(C3COc4ccccc4O3)nn12,0,0.0,
+Clc1ccccc1-c1nnc2sc(CCc3ccccc3)nn12,0,0.0,
+Clc1ccccc1-c1nnn(Cc2ccc(-c3nn[nH]n3)cc2)n1,0,0.0,
+Clc1ccccc1C(c1nnnn1Cc1ccco1)N1CCN(Cc2ccco2)CC1,0,0.0,
+Clc1ccccc1C1=Nn2c(nnc2-c2ccncc2)SC1,0,0.0,
+Clc1ccccc1C1CC(c2ccccc2)Nc2ncnn21,0,0.0,
+Clc1ccccc1C1SCC2Nc3ccccc3CN21,0,0.0,
+Clc1ccccc1CN(Cc1ccccc1)c1ncnc2nc[nH]c12,0,0.0,
+Clc1ccccc1CN1CCc2sccc2C1,0,0.0,
+Clc1ccccc1CNc1ncnc2nc[nH]c12,0,0.0,
+Clc1ccccc1COc1ccccc1-c1nnco1,0,0.0,
+Clc1ccccc1CSc1cn2c(n1)CCC2,0,0.0,
+Clc1ccccc1CSc1ncccn1,0,0.0,
+Clc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1,0,0.0,
+Clc1ccccc1CSc1nnc(-c2cccnc2)n1Cc1ccco1,0,0.0,
+Clc1ccccc1CSc1nnc(-c2ccco2)c(-c2ccco2)n1,0,0.0,
+Clc1ccccc1Cn1nnc(-c2cccs2)n1,0,0.0,
+Clc1ccccc1Cn1nnc2c(N3CCCC3)ncnc21,0,0.0,
+Clc1ccccc1Cn1nnc2c(NCC3CC3)ncnc21,0,0.0,
+Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc21,0,0.0,
+Clc1ccccc1Cn1nnc2c(Nc3ccccc3)ncnc21,0,0.0,
+Clc1ccccc1N1CCN(c2ncnc3nc[nH]c23)CC1,0,0.0,
+Clc1ccccc1Nc1c2c(nc3ncnn13)CCC2,0,0.0,
+Clc1ccccc1Nc1ncnc2c1nnn2Cc1ccccc1,0,0.0,
+Clc1ccccc1OCCCCN1CCCC1,1,100.0,0.0
+Clc1ccccc1OCCCCn1ccnc1,0,0.0,
+Clc1ccccc1OCCN1CCCCC1,0,0.0,
+Clc1ccccc1OCCn1ccnc1,0,0.0,
+Clc1ccccc1OCCn1cnc2ccccc21,0,0.0,
+Clc1ccccc1OCc1nc(-c2ccccn2)no1,0,0.0,
+Clc1ccccc1OCc1nc(-c2ccncc2)no1,0,0.0,
+Clc1ccccc1OCc1nn2c(-c3ccncc3)nnc2s1,0,0.0,
+Clc1ccccc1OCc1nnc(-c2ccccc2Br)o1,0,0.0,
+Clc1n[nH]nc1-c1nn[nH]n1,0,0.0,
+Clc1nc(-c2n[nH]nc2Cl)n[nH]1,0,0.0,
+Clc1nc2sccn2c1/C=N/n1cnc2ccccc21,0,0.0,
+Clc1ncn(C23CC4CC(CC(C4)C2)C3)n1,0,0.0,
+Clc1ss/c(=N\c2ccccn2)c1Cl,0,0.0,
+Cn1[nH]c(=O)c2ccccc2c1=O,0,0.0,
+Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21,0,0.0,
+Cn1c(-c2cc(Br)ccc2O)n[nH]c1=S,0,0.0,
+Cn1c(-c2ccc(Br)o2)nc2cc(Br)ccc21,0,0.0,
+Cn1c(-c2ccc(Br)o2)nc2ccccc21,0,0.0,
+Cn1c(-c2ccc(C(=O)c3ccccc3)s2)nc2ccccc21,0,0.0,
+Cn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S,0,0.0,
+Cn1c(-c2ccc(CN3CCCCC3)o2)nc2ccccc21,0,0.0,
+Cn1c(-c2ccc(Cl)cc2)cnc1N,0,0.0,
+Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(C#N)cc1,1,100.0,0.0
+Cn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1,0,0.0,
+Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1CCCCC1,1,100.0,0.0
+Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)NCc1ccco1,0,0.0,
+Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+Cn1c(-c2ccc(N)cc2)nc2ccccc21,0,0.0,
+Cn1c(-c2ccc3c(c2)OCO3)cnc1N,0,0.0,
+Cn1c(-c2ccc3c(c2)OCO3)cnc1NC(=O)CCC(=O)NCCc1ccccc1,0,0.0,
+Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(Cl)cc1,1,100.0,1.0
+Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(Cl)c1,1,100.0,1.0
+Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccccc1,1,100.0,1.0
+Cn1c(-c2ccc3ccccc3n2)nc2cnccc21,0,0.0,
+Cn1c(-c2ccc3nc(N)sc3c2)nc2cc(N)ccc21,0,0.0,
+Cn1c(-c2cccc(Br)c2)cnc1NCc1cccnc1,1,100.0,1.0
+Cn1c(-c2ccccc2)c(CCO)c2ccccc21,0,0.0,
+Cn1c(-c2ccccc2)cc(=O)c2ccccc21,0,0.0,
+Cn1c(-c2ccccc2)cc2c3no[n+]([O-])c3ccc21,0,0.0,
+Cn1c(-c2ccccc2)cccc1=O,0,0.0,
+Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccco1,0,0.0,
+Cn1c(-c2ccccc2)cnc1SCC(N)=O,0,0.0,
+Cn1c(-c2ccccc2)cnc1SCc1nc2ccccc2c(=O)[nH]1,0,0.0,
+Cn1c(-c2ccco2)nc2cc3ccccc3cc21,0,0.0,
+Cn1c(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21,0,0.0,
+Cn1c(-n2c(-c3ccco3)nc3ccccc3c2=O)nc2ccccc21,0,0.0,
+Cn1c(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21,0,0.0,
+Cn1c(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21,0,0.0,
+Cn1c(/C(C#N)=C(\O)CN2CCN(Cc3ccccc3)CC2)nc2ccccc21,0,0.0,
+Cn1c(/C(C#N)=C(\O)COc2ccc3ccccc3c2)nc2ccccc21,0,0.0,
+Cn1c(/C(C#N)=C/C2CC=CCC2)nc2ccccc21,0,0.0,
+Cn1c(/C(C#N)=C/Nc2ccccn2)nc2ccccc21,0,0.0,
+Cn1c(/C(C#N)=C2/CCCCCN2)nc2ccccc21,0,0.0,
+Cn1c(/C=C/N2CCOCC2)c(C(=O)c2ccc(Br)cc2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(/C=N/c2nc3ccccc3[nH]2)nc2ccccc21,0,0.0,
+Cn1c(/C=N/n2cnnc2)nc2ccccc21,0,0.0,
+Cn1c(/N=C/c2c(O)ccc3ccccc23)nc2ccccc21,0,0.0,
+Cn1c(/N=C/c2c[nH]c3ccccc23)nc2ccccc21,0,0.0,
+Cn1c(/N=C/c2cc(Cl)ccc2O)nc2ccccc21,0,0.0,
+Cn1c(/N=C/c2ccc3c(c2)OCO3)nc2ccccc21,0,0.0,
+Cn1c(/N=C/c2cccs2)nc2ccccc21,0,0.0,
+Cn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(=N)n(CC(=O)C(C)(C)C)c2ccccc21,0,0.0,
+Cn1c(=N)n(CC(=O)O)c2ccccc21,0,0.0,
+Cn1c(=N)n(CC(O)c2cccc3ccccc23)c2ccccc21,0,0.0,
+Cn1c(=N)n(CC(O)c2ccco2)c2ccccc21,0,0.0,
+Cn1c(=NC(=O)C2CC2)sc2cc(F)cc(F)c21,0,0.0,
+Cn1c(=NC(=O)C2CC2)sc2cccc(F)c21,0,0.0,
+Cn1c(=NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc2ccccc21,0,0.0,
+Cn1c(=NC(=O)CN2C(=O)C3CC=CCC3C2=O)sc2ccccc21,0,0.0,
+Cn1c(=NC(=O)CSCC(=O)N2CCCC2)sc2ccccc21,0,0.0,
+Cn1c(=NC(=O)CSCC(=O)N2CCCCC2)sc2ccccc21,0,0.0,
+Cn1c(=NC(=O)CSCC(=O)N2CCOCC2)sc2ccccc21,0,0.0,
+Cn1c(=NC(=O)c2ccco2)sc2cccc(F)c21,0,0.0,
+Cn1c(=NC(=O)c2cnccn2)sc2ccccc21,0,0.0,
+Cn1c(=NCC(O)COc2ccccc2)sc2ccccc21,0,0.0,
+Cn1c(=Nc2ccc(N3CCOCC3)cc2)ccc2ccccc21,1,100.0,1.0
+Cn1c(=O)[nH]c(=O)c2[nH]c(CN3CCN(C(=O)c4ccco4)CC3)nc21,0,0.0,
+Cn1c(=O)[nH]c(=O)c2[nH]c(CN3CCN(Cc4ccccc4)CC3)nc21,0,0.0,
+Cn1c(=O)[nH]c(=O)c2[nH]c(N(Cc3ccccc3)Cc3ccccc3)nc21,0,0.0,
+Cn1c(=O)[nH]c(=O)c2[nH]c(NCCCN3CCOCC3)nc21,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CC(O)COCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CC(O)c1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCC(=O)c1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCO,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCSc1nc2ccccc2o1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCOc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCSc1nc2ccccc2o1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCSc1ncccn1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCSc1nnnn1-c1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1Cl,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1F,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN(Cc1ccccc1)Cc1ccccc1)n2CCN1CCOCC1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(Cc3ccccc3)CC1)n2CC(N)=O,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3ccc(F)cc3)CC1)n2CCCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3ccc(F)cc3)CC1)n2CCN1CCOCC1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3cccc(Cl)c3)CC1)n2CCCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3cccc(Cl)c3)CC1)n2CCN1CCOCC1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3cccc(Cl)c3)CC1)n2CCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3cccc(Cl)c3)CC1)n2Cc1ccccc1Cl,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3ccccc3F)CC1)n2CC(N)=O,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3ccccc3F)CC1)n2CCCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3ccccc3F)CC1)n2CCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2CCCO,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2CCCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2CCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2Cc1ccc(F)cc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2Cc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N(CCO)Cc1ccccc1)n2CCCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N(CCO)Cc1ccccc1)n2Cc1ccccc1Cl,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(Cc3ccccc3)CC1)n2Cc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CC(O)COc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CCCSc1nc2ccccc2o1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CC(O)CN1CCCCC1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCCSc1nc2ccccc2s1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCOc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCSc1nc2ccccc2o1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCSc1ncccn1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CC(=O)c1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CCCSc1nc2ccccc2o1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CCN1CCCCCC1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CCSc1nc2ccccc2[nH]1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CCSc1nc2ccccc2o1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2Cc1cccc2ccccc12,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CCO)CC1)n2CCSc1nc2ccccc2s1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2CCCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2CCSc1ncccn1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3cccc(Cl)c3)CC1)n2CCCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3ccccc3)CC1)n2CCSc1ncccn1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2CCOc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2Cc1cccc2ccccc12,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CC(O)COc1ccc2ccccc2c1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CC(O)COc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCCSc1ncccn1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCN1CCOCC1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCSc1ncccn1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCc3ccccc3C1)n2CCSc1nc2ccccc2s1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2CC(=O)NC1CCCCC1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2CCO,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2Cc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2CCCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2Cc1ccc(F)cc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(NCCCn1ccnc1)n2CCOc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(NCCCn1ccnc1)n2Cc1ccc(F)cc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(NCCCn1ccnc1)n2Cc1cccc(Br)c1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(NCCCn1ccnc1)n2Cc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(NCCc1ccccc1)n2CC(O)COc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2CC(O)c1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(OC(=O)c1ccccc1)n2CC(O)COc1ccc(F)cc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(OC(=O)c1ccccc1)n2CC(O)COc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)Nc1ccccc1)n2Cc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)O)n2CCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(SCC(O)CO)n2Cc1ccccc1Cl,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(SCCN1CCCCC1)n2CCCc1ccccc1,1,100.0,0.0
+Cn1c(=O)[nH]c(=O)c2c1nc(SCCN1CCCCC1)n2Cc1ccccc1,1,100.0,1.0
+Cn1c(=O)[nH]c(=O)c2c1nc(SCCN1CCOCC1)n2CCCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(SCCN1CCOCC1)n2CCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(SCCN1CCOCC1)n2Cc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Sc1ccccc1)n2CCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3[nH]1)n2CCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3s1)n2Cc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc(Sc1ncccn1)n2CCCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1CCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCS1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1ncn2CCCc1ccccc1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1ncn2CCN1CCCCC1,0,0.0,
+Cn1c(=O)[nH]c(=O)c2c1ncn2CCN1CCOCC1,0,0.0,
+Cn1c(=O)[nH]c2cc(Cl)cnc21,0,0.0,
+Cn1c(=O)[nH]c2cc3ccccc3cc21,0,0.0,
+Cn1c(=O)c(-c2ccccc2)nn2c3ccccc3nc12,0,0.0,
+Cn1c(=O)c(-c2ccccc2N)nc2ccccc21,0,0.0,
+Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)CCC(=O)N3CCOCC3)ccc21,0,0.0,
+Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc21,0,0.0,
+Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21,0,0.0,
+Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCCCCC3)ccc21,0,0.0,
+Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc21,0,0.0,
+Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21,0,0.0,
+Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,0,0.0,
+Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)NCCc3ccccc3)ccc21,0,0.0,
+Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21,0,0.0,
+Cn1c(=O)c(C#N)c(-c2ccccc2)n2cnnc12,0,0.0,
+Cn1c(=O)c(C(=O)CN2CCCc3ccccc32)c(N)n(Cc2ccccc2)c1=O,0,0.0,
+Cn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O,0,0.0,
+Cn1c(=O)c(C(=O)CSc2nncs2)c(N)n(Cc2ccccc2)c1=O,0,0.0,
+Cn1c(=O)c(C(=O)NC2CCCCCCC2)c(O)c2ccccc21,0,0.0,
+Cn1c(=O)c(C(=O)NCCO)c(O)c2ccccc21,0,0.0,
+Cn1c(=O)c(C(=O)Nc2ccccn2)c(O)c2ccccc21,0,0.0,
+Cn1c(=O)c(C(=O)Nc2cccnc2)c(O)c2ccccc21,0,0.0,
+Cn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21,0,0.0,
+Cn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21,0,0.0,
+Cn1c(=O)c(C(=O)Nc2ncccn2)c(O)c2ccccc21,0,0.0,
+Cn1c(=O)c(C(=O)c2ccccc2)nc2ccccc21,0,0.0,
+Cn1c(=O)c(C(=S)NC(=O)C2CC2)c(N)n(Cc2ccccc2)c1=O,0,0.0,
+Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=S)CCCCC2,0,0.0,
+Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2,1,100.0,
+Cn1c(=O)c2[nH]c(-c3cccnc3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2[nH]c(CN(Cc3ccccc3)Cc3ccccc3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2[nH]c(CNCc3ccccc3Cl)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2[nH]c(N3CCOCC3)nc2n(-c2ccccc2)c1=O,0,0.0,
+Cn1c(=O)c2[nH]c(NCC3CCCO3)nc2n(-c2ccccc2)c1=O,0,0.0,
+Cn1c(=O)c2[nH]c(Nc3ccccc3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2[nH]cnc2n(-c2ccccc2)c1=O,0,0.0,
+Cn1c(=O)c2[nH]cnc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(N3CCOCC3)cc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3O)cc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(-c3ccccc3)n(-n3cnnc3)cc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(-c3ccccc3)n(C3CCCCC3)cc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(-c3ccccc3)n(CCCN3CCOCC3)cc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(-c3ccccc3)n(Cc3ccccn3)cc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(-c3ccccc3)n(Cc3cccnc3)cc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(-c3ccccc3)n(N3CCOCC3)cc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(-c3ccccc3)n3c4ccccc4ncc3c2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(-c3ccncc3)c3c(nc2n(C)c1=O)-c1ccccc1C3=O,0,0.0,
+Cn1c(=O)c2c(O)cc(=O)[nH]c2n(-c2ccccc2)c1=O,0,0.0,
+Cn1c(=O)c2c(O)cc(=O)n(-c3ccccc3)c2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SC3CCCC3)nc(C3CC3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SC3CCCC3)nc(CC(C)(C)C)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCC(=O)N3CCC(Cc4ccccc4)CC3)nc(C3CC3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCC(=O)N3CCCc4ccccc43)nc(C3CC3)nc2n(C)c1=O,1,100.0,
+Cn1c(=O)c2c(SCC(=O)N3CCCc4ccccc43)nc(CC(C)(C)C)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc(C3CC3)nc2n(C)c1=O,1,100.0,
+Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(CC(C)(C)C)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCC(=O)NCC3CCCO3)nc(-c3cccs3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCC(=O)NCc3ccco3)nc(CC(C)(C)C)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(C3CC3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCC(N)=O)nc(CC(C)(C)C)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)nc(-c3ccco3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCc3ccccc3)nc(-c3ccco3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCc3ccccn3)nc(-c3ccccc3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCc3ccccn3)nc(C3CC3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCc3cccnc3)nc(C3CC3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(SCc3cccnc3)nc(CC(C)(C)C)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(n(C)c1=O)=NC1(CCCCC1)N=2,0,0.0,
+Cn1c(=O)c2c(n(C)c1=O)=NC1(CCCCC1)ON=2,0,0.0,
+Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(=O)C2CC(=O)N1CCc2ccccc2C1,0,0.0,
+Cn1c(=O)c2c(nc(-n3ccnc3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(-n3ccnc3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(-n3ccnc3)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Br)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Br)n2CC(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Br)n2CCCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Br)n2CCSc2nc3ccccc3o2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Br)n2CCSc2ncccn2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Br)n2CCSc2nnnn2-c2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Br)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Br)n2Cc2c(F)cccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Br)n2Cc2ccc3ccccc3c2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2CCCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O,1,100.0,0.0
+Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2c(F)cccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2ccccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2ccccc2F)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCC(Cc4ccccc4)CC3)n2CCN2CCOCC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCCCC3)n2CCCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCCCC3)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCCCC3)n2Cc2c(F)cccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2CCCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2ccc(Cl)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2ccc(F)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2cccc(Cl)c2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2ccccc2F)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(CCO)CC3)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(CCO)CC3)n2Cc2cccc3ccccc23)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(CCO)CC3)n2Cc2ccccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2CCN2CCOCC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2ccc(Cl)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2ccc(F)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2cccc(Cl)c2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(c4ccc(F)cc4)CC3)n2CCN2CCOCC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(c4ccc(F)cc4)CC3)n2Cc2ccccc2F)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(c4cccc(Cl)c4)CC3)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2CCCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2CCN2CCOCC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2Cc2c(F)cccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2Cc2ccccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2Cc2ccccc2F)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4F)CC3)n2CCCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4F)CC3)n2CCN2CCOCC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCOCC3)n2CC(=O)c2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCOCC3)n2CC(O)CO)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCOCC3)n2CCCO)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCOCC3)n2CCCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCOCC3)n2CCN2CCOCC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCOCC3)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2CC(=O)c2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccc(Cl)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccc(F)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2cccc(Cl)c2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccccc2F)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Cl)n2Cc2ccncc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCC(C(N)=O)CC3)n2CCSc2nc3ccccc3s2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCCC3)n2CC(O)CO)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCCCC3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCCCC3)n2CCCNC2=NCCCC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCCCC3)n2CCNC2=NCCC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCCCC3)n2CCSc2nc3ccccc3o2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCCCC3)n2CCSc2nc3ccccc3s2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(=O)c2ccc(Br)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(=O)c2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(O)COc2ccc(Cl)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(O)COc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCCCCC3)n2CCSc2nc3ccccc3o2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCCCCC3)n2Cc2cccc3ccccc23)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)n2CC(=O)c2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)n2CCCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)n2CCSc2ncccn2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCN(c4ccccc4)CC3)n2CCCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2cccc3ccccc23)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCOCC3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCOCC3)n2CC(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCOCC3)n2CC(=O)c2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCOCC3)n2CCCNC2=NCCC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCOCC3)n2CCSc2nc3ccccc3s2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCOCC3)n2Cc2c(F)cccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCc4ccccc4C3)n2Cc2ccc(Br)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(N3CCc4ccccc4C3)n2Cc2ccccc2F)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NC(Cc3ccccc3)C(=O)O)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NC3CCCCC3)n2CC(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NC3CCCCC3)n2CC(O)COc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCC(O)CO)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCC3CCCO3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2cccc(Cl)c2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCCO)n2C/C=C/c2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCCO)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCCO)n2Cc2cccc(Br)c2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCCO)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCNC(=O)c3ccco3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCNC(=O)c3ccco3)n2Cc2ccccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCO)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCO)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCc3ccccc3)n2CC(=O)NCCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCc3ccccc3)n2Cc2ccc(F)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCCc3ccccc3)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccc4c(c3)OCO4)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccc4c(c3)OCO4)n2Cc2ccc(F)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccc4c(c3)OCO4)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccc4c(c3)OCO4)n2Cc2ccccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccc4c(c3)OCO4)n2Cc2ccccc2F)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccccc3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccccc3)n2CC(=O)NCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccccc3)n2CCCc2ccccc2)n(C)c1=O,1,100.0,
+Cn1c(=O)c2c(nc(NCc3ccccc3)n2Cc2ccc(F)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3cccnc3)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccco3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccco3)n2C/C=C/c2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccco3)n2CC(O)COc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccco3)n2CCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2ccccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(OC/C=C/c3ccccc3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(OCC3COC(C)(C)O3)n2Cc2ccccc2F)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(OCc3ccccc3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(OCc3cccnc3)n2Cc2c(F)cccc2Cl)n(C)c1=O,1,100.0,1.0
+Cn1c(=O)c2c(nc(OCc3cccnc3)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Oc3ccc(-c4ccccc4)cc3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Oc3ccc4c(c3)OCO4)n2Cc2ccc(Br)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Oc3ccc4c(c3)OCO4)n2Cc2ccc(Cl)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Oc3ccc4c(c3)OCO4)n2Cc2ccc(F)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Oc3ccccn3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SC3C(=O)CC(C)(C)CC3=O)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)N3CCCc4ccccc43)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)N3CCc4ccccc43)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)N3CCc4ccccc4C3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)N3c4ccccc4CCc4ccccc43)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)NC3CCCCC3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)NCC3CCCO3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)NCc3ccc4c(c3)OCO4)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)NCc3ccco3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3N3CCCCC3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)O)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)OCc3ccccc3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCC(=O)c3cccs3)n2Cc2ccc(F)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCCCC#N)n2Cc2c(F)cccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCCCC#N)n2Cc2ccccc2F)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCCCO)n2Cc2ccccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCCN3CCCCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O,1,100.0,1.0
+Cn1c(=O)c2c(nc(SCCN3CCCCC3)n2Cc2ccccc2)n(C)c1=O,1,100.0,1.0
+Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccc(F)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2cccc3ccccc23)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCCNS(=O)(=O)c3ccccc3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCCOc3ccc4ccc(=O)oc4c3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCc3cc4c(cc3Cl)OCO4)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCc3ccccn3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCc3cccnc3)n2Cc2ccc(F)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCc3cccnc3)n2Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(SCc3nn[nH]n3)n2Cc2ccccc2F)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Sc3n[nH]c(N)n3)n2Cc2ccccc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Sc3nc4ccccc4n3CC(=O)N3CCCCC3)n2C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc(Sc3ncccn3)n2Cc2ccc(Cl)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(nc3sccn32)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)N(Cc2ccccc2)c2ccccn2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)N2CCCc3ccccc32)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)N2CCN(c3ccc(F)cc3)CC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)N2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)N2CCN(c3ccccc3)CC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)N2CCN(c3ccccc3F)CC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)N2CCOCC2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)N2CCc3ccccc3C2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)NC(C)(C)C)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)NCc2cccnc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Cl)cc2Cl)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2Sc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccccc3Cl)cs2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)Nc2nnc(Cc3ccccc3)s2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)NC2CCCc3ccccc32)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(=O)OCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(N)=O)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(O)CNc2ccc(Cl)cc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CCCNC2=CC(C)(C)CC(=O)C2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CCCc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CCN(CCO)Cc2ccccc2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2CCO)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2Cc2cc(-c3ccccc3)no2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(C)c1=O,0,0.0,
+Cn1c(=O)c2c3c(sc2n2c(SCC(=O)c4ccc(Cl)cc4)nnc12)COC(C)(C)C3,0,0.0,
+Cn1c(=O)c2c3c(sc2n2c(SCC(=O)c4ccccc4)nnc12)COC(C)(C)C3,1,100.0,
+Cn1c(=O)c2c3c(sc2n2c(SCC(N)=O)nnc12)CC(C(C)(C)C)CC3,0,0.0,
+Cn1c(=O)c2c3c(sc2n2c(SCc4ccc5c(c4)OCO5)nnc12)COC(C)(C)C3,0,0.0,
+Cn1c(=O)c2c3c(sc2n2c(SCc4ccccc4)nnc12)CCCC3,0,0.0,
+Cn1c(=O)c2cc(NC(=O)c3ccccc3Cl)c(=O)oc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(NCc3ccccc3)nnc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)N3CCC(c4ccccc4)CC3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)N3CCCCCC3)c3ccccc3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)NCc3cccnc3)c3ccccc3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)Nc3cccnc3)c3ccccc3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCc3ccco3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)N3CC=C(c4ccccc4)CC3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)NC3CCCCCCC3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)NCC3CCCO3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)NCCC3=CCCCC3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)NCCc3ccc(Cl)cc3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)NCc3ccccc3Cl)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)Nc3ccc(Cl)cc3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)Nc3ccccc3F)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O,0,0.0,
+Cn1c(=O)c2cn(-c3ccc4c(c3)OCCO4)cc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cn(-c3cccc4ccccc34)cc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cn(Cc3ccc(Cl)cc3)cc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cn3c(c2n(C)c1=O)C(c1ccccc1)CC(c1ccccc1)=N3,0,0.0,
+Cn1c(=O)c2cn3ncccc3c2n(C)c1=O,0,0.0,
+Cn1c(=O)c2cnc(N3CCOCC3)nc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2nc(-c3ccc(Cl)cc3Cl)oc2c2ccccc21,0,0.0,
+Cn1c(=O)c2nc(-c3ccccc3)oc2c2ccccc21,0,0.0,
+Cn1c(=O)c2nc(Cl)n(Cc3ccc(Cl)cc3Cl)c2n(C)c1=O,0,0.0,
+Cn1c(=O)c2nc(NCc3ccccc3)cnc2n(C)c1=O,0,0.0,
+Cn1c(=O)c2ncn(CC(=O)NCCOc3ccc(C(C)(C)C)cc3)c2n(C)c1=O,0,0.0,
+Cn1c(=O)c2ncn(CC(=O)NCCOc3ccccc3)c2n(C)c1=O,0,0.0,
+Cn1c(=O)c2ncn(CC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2n(C)c1=O,0,0.0,
+Cn1c(=O)c2ncn(CC(=O)Nc3ccc4c5c(cccc35)CC4)c2n(C)c1=O,0,0.0,
+Cn1c(=O)c2ncn(CC(=O)Nc3ccc4oc(-c5cccc6ccccc56)nc4c3)c2n(C)c1=O,0,0.0,
+Cn1c(=O)c2nnn(/N=C(\c3ccccc3)C3CC3)c2n(C)c1=O,0,0.0,
+Cn1c(=O)c2sccc2n2c(CCCC(=O)NCc3ccc4c(c3)OCO4)nnc12,0,0.0,
+Cn1c(=O)cc(-c2ccccc2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(N2CCCCC2)[nH]c1=O,0,0.0,
+Cn1c(=O)cc(N2CCc3ccccc32)[nH]c1=O,0,0.0,
+Cn1c(=O)cc(NCCc2ccccc2)[nH]c1=O,0,0.0,
+Cn1c(=O)cc(NCc2ccccc2)[nH]c1=O,0,0.0,
+Cn1c(=O)cc(OCC(=O)N2CCC(N3CCCCC3)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCC(=O)N2CCCc3ccccc32)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCC(=O)NC2CCCCC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCC(=O)NCc2ccccn2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCC(=O)NCc2cccnc2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCC(=O)Nc2ccccn2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)N2CCCCC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)NC2CCCC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)NCCN2CCN(c3ccccc3F)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)NCc2ccccn2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)NCc2ccco2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)Nc2ccccn2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(OCCCC(=O)Nc2cccnc2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)N2CCC3(CC2)OCCO3)c2ccc(Cl)cc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)N2CCCC2)c2cc(Cl)ccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)N2CCCC2)c2ccc(Cl)cc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)N2CCCC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21,1,100.0,1.0
+Cn1c(=O)cc(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21,1,100.0,1.0
+Cn1c(=O)cc(SCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)N2CCOCC2)c2ccc(Cl)cc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccc(Cl)cc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)NCC2COc3ccccc3O2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)NCCCN2CCOCC2)c2ccc(Cl)cc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)NCCCN2CCOCC2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)NCCN2CCN(c3ccccc3F)CC2)c2cc(Cl)ccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)NCc2cccnc2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)NCc2ccco2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)Nc2ccccn2)c2ccccc21,0,0.0,
+Cn1c(=O)cc(SCC(=O)Nc2cccnc2)c2ccccc21,0,0.0,
+Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)n1C,0,0.0,
+Cn1c(=O)n(-c2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3,0,0.0,
+Cn1c(=O)n(C)c(=O)n(CC(=O)N2CCCCC2)c1=O,0,0.0,
+Cn1c(=O)n(C)c2cc(/C=N/n3cnnc3)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(C(=O)O)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(C(=O)c3ccccc3)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(C(N)=O)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(CN3C(=O)OC(C)(C)C3(C)O)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(CNc3ccc(N4CCOCC4)c(C(=O)O)c3)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(NC(=O)C(F)(F)F)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(NC(=O)CSc3nnc(-c4ccccc4O)n3-c3ccccc3)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(NC(=O)c3cc4ccccc4o3)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(NS(C)(=O)=O)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCc3ccccc3)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccco3)ccc21,0,0.0,
+Cn1c(=O)n(C)c2cc(S(=O)(=O)O)ccc21,0,0.0,
+Cn1c(=O)n(C)c2ncc(Br)cc21,0,0.0,
+Cn1c(=O)n(C)c2ncc(Cl)cc21,0,0.0,
+Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1,0,0.0,
+Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(F)cc1,0,0.0,
+Cn1c(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c(=O)c2ccccc21,0,0.0,
+Cn1c(=O)n(CC(=O)N2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)c2ccccc21,0,0.0,
+Cn1c(=O)n(CC(=O)N2CCOCC2)c2ccccc21,0,0.0,
+Cn1c(=O)n(CC(=O)NC2CCCCC2)c(=O)c2ccccc21,0,0.0,
+Cn1c(=O)n(CC(=O)NCc2cccnc2)c2ccccc21,0,0.0,
+Cn1c(=O)n(CC(=O)Nc2ccc(F)cc2)c2ccccc21,0,0.0,
+Cn1c(=O)n(CC(=O)Nc2ccccc2)c2ccccc21,0,0.0,
+Cn1c(=O)n(CC(=O)Nc2cccnc2)c2ccccc21,0,0.0,
+Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCS1,0,0.0,
+Cn1c(=O)n(CC(=O)OCc2ccccc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,0,0.0,
+Cn1c(=O)n(CC(N)=O)c2ccccc21,0,0.0,
+Cn1c(=O)n(CCC(=O)O)c2ccccc21,0,0.0,
+Cn1c(=O)n(CCCOc2ccc(Br)cc2)c2ccccc21,0,0.0,
+Cn1c(=O)n(CCCOc2ccc(Cl)cc2)c2ccccc21,0,0.0,
+Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccccc1,0,0.0,
+Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCN1c1ccc(Oc2ccccc2)cc1,0,0.0,
+Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCN1c1ccccc1,0,0.0,
+Cn1c(=O)n(CCOc2ccccc2Cl)c2ccccc21,1,100.0,1.0
+Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,0,0.0,
+Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1,0,0.0,
+Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(F)cc1,0,0.0,
+Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccccc1,0,0.0,
+Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCN1Cc1ccco1,0,0.0,
+Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCN1c1ccccc1,0,0.0,
+Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1ncn2Cc1ccccc1,0,0.0,
+Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1n2CCN1Cc1ccco1,0,0.0,
+Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,0,0.0,
+Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1,0,0.0,
+Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(NCC1CCCO1)n2Cc1ccccc1,0,0.0,
+Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,0,0.0,
+Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1,1,100.0,
+Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCS1,0,0.0,
+Cn1c(=O)n(Cc2ccccc2)c2ccccc21,0,0.0,
+Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,0,0.0,
+Cn1c(=O)n(Cc2ccccc2F)c2ccccc21,0,0.0,
+Cn1c(=O)n(Cc2ccco2)c(=N)c2c3c(sc21)CCC3,0,0.0,
+Cn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)N4CC=C(c5ccccc5)CC4)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)NCC4COc5ccccc5O4)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)NCc4cccs4)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)N4CC=C(c5ccccc5)CC4)C3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)N4CCc5ccccc5C4)C3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)N4CCn5c4nc4ccccc45)C3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)NCC4COc5ccccc5O4)C3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)NCCN4CCOCC4)C3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccc5c(c4)OCO5)C3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)NCc4cccs4)C3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc5c(c4)OCCO5)C3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCCCC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCCCCC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCC3CCCO3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)N3CC=C(c4ccccc4)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)N3CCc4ccccc43)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)N3CCc4ccccc4C3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NC3CCCC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NC3CCCc4ccccc43)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NCCc3ccc(Cl)cc3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NCCc3ccccc3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCCN3CCCC3=O)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCN3CCCCCC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCN3CCc4ccccc4C3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccccc3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccco3)ccc21,1,100.0,0.0
+Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccncc3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc21,0,0.0,
+Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc4c3CCCC4)ccc21,0,0.0,
+Cn1c(=O)oc2ccc(C(=O)CSc3nnnn3-c3ccccc3)cc21,0,0.0,
+Cn1c(=S)[nH]c2cccnc21,0,0.0,
+Cn1c(Br)nc2c1c(=O)n(CC(O)COc1ccccc1)c(=O)n2C,0,0.0,
+Cn1c(C(=O)N(Cc2ccccc2)Cc2ccccn2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N(Cc2ccccc2)Cc2cccs2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCCC(C(=O)NCCCSC3CCCCC3)C2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCCC(C(=O)NCCN3CCOCC3)C2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCCC(C(=O)NCCc3ccccc3)C2)cc2sccc21,1,100.0,1.0
+Cn1c(C(=O)N2CCCC(C(=O)NCc3ccc4c(c3)OCO4)C2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCCC(C(=O)NCc3cccs3)C2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCCC(C(=O)O)C2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCCC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCCc3ccccc32)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(C(=O)N2CCCc3ccccc32)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(C(=O)N2CCN(C3CCCCC3)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2c(=O)[nH]c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc2sccc21,0,0.0,
+Cn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2CCc3ccccc32)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(C(=O)N2CCc3ccccc3C2)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(C(=O)N2CCc3ccccc3C2)cc2oc3ccccc3c21,0,0.0,
+Cn1c(C(=O)N2COCC2(C)C)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(C(=O)NC2CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NC2CCCC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NC2CCCCC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NC2CCCCC2)cc2sccc21,0,0.0,
+Cn1c(C(=O)NC2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCC2CCCO2)cc2c(=O)[nH]c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCC2CCCO2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(C(=O)NCC2CCCO2)cc2oc3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCCC2=CCCCC2)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(C(=O)NCCCN2CCCC2=O)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCCCN2CCCC2=O)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(C(=O)NCCCN2CCCCC2)cc2sccc21,0,0.0,
+Cn1c(C(=O)NCCCN2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21,1,100.0,1.0
+Cn1c(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCCCN2CCN(c3ccccc3F)CC2)cc2c(=O)[nH]c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCCCN2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCCCN2CCOCC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCCCn2ccnc2)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(C(=O)NCCN2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21,1,100.0,1.0
+Cn1c(C(=O)NCCN2CCN(Cc3ccccc3)CC2)cc2c(=O)n(C)c3ccccc3c21,1,100.0,1.0
+Cn1c(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCCN2CCOCC2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCCN2CCOCC2)cc2sccc21,0,0.0,
+Cn1c(C(=O)NCCN2CCc3ccccc3C2)cc2c(=O)[nH]c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCCN2CCc3ccccc3C2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2sccc21,0,0.0,
+Cn1c(C(=O)NCCc2ccsc2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCc2ccc3c(c2)OCO3)cc2sccc21,0,0.0,
+Cn1c(C(=O)NCc2ccccn2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCc2ccccn2)cc2c(=O)n3ccccc3nc21,0,0.0,
+Cn1c(C(=O)NCc2cccnc2)cc2sc(Cl)cc21,0,0.0,
+Cn1c(C(=O)NCc2cccnc2)cc2sccc21,0,0.0,
+Cn1c(C(=O)NCc2cccs2)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)NCc2cccs2)cc2oc3ccccc3c21,0,0.0,
+Cn1c(C(=O)Nc2ccc3c(c2)OCCO3)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)Nc2ccc3c(c2)OCCO3)cc2sccc21,0,0.0,
+Cn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(=O)n(C)c3ccccc3c21,0,0.0,
+Cn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2sccc21,0,0.0,
+Cn1c(C(=O)O)c(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21,0,0.0,
+Cn1c(C(=O)O)c(CC(=O)NCC2COc3ccccc3O2)c2ccccc21,0,0.0,
+Cn1c(C(=O)O)c(CC(=O)NCc2cccnc2)c2ccccc21,0,0.0,
+Cn1c(C(=O)O)c(CC(=O)Nc2ccc(F)cc2F)c2ccccc21,0,0.0,
+Cn1c(C(=O)O)c(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21,0,0.0,
+Cn1c(C(=O)O)c(CC(=O)Nc2ccccc2F)c2ccccc21,0,0.0,
+Cn1c(C(=O)O)cc2cc(F)ccc21,0,0.0,
+Cn1c(C(=O)OC(C(=O)NC2CCCC2)c2cccnc2)cc2sccc21,0,0.0,
+Cn1c(C(=O)OC(C(=O)NC2CCCC2)c2ccncc2)cc2sccc21,0,0.0,
+Cn1c(C(=O)OC(C(=O)NC2CCCCC2)c2ccncc2)cc2sccc21,0,0.0,
+Cn1c(C(=O)OCC(=O)NCC2CCCO2)cc2sccc21,0,0.0,
+Cn1c(C(=O)OCC(=O)NCCc2ccccc2)cc2sccc21,0,0.0,
+Cn1c(C(=O)OCC(=O)NCc2ccco2)cc2sccc21,0,0.0,
+Cn1c(C(=O)OCC(=O)NCc2cccs2)cc2sccc21,0,0.0,
+Cn1c(C(C#N)/C(=N\S(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21,0,0.0,
+Cn1c(C(C#N)C(=O)Cc2cccc3ccccc23)nc2ccccc21,0,0.0,
+Cn1c(C(C#N)C(=O)c2ccco2)nc2ccccc21,0,0.0,
+Cn1c(C(C#N)C(=O)c2sc3ccccc3c2Cl)nc2ccccc21,0,0.0,
+Cn1c(C(C#N)C2=C(Cl)C(=O)N(c3ccccc3)C2=O)nc2ccccc21,0,0.0,
+Cn1c(C(F)(F)F)nc2c(=O)oc3ccccc3c21,0,0.0,
+Cn1c(C(O)c2ccc(Cl)cc2)nc(Cl)c1Cl,0,0.0,
+Cn1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21,0,0.0,
+Cn1c(C(O)c2ccccc2)nc(Cl)c1Cl,0,0.0,
+Cn1c(C(O)c2ccccc2F)nc(Cl)c1Cl,0,0.0,
+Cn1c(C2=C(O)CN(c3ccc4c(c3)OCCO4)C2=N)nc2ccccc21,0,0.0,
+Cn1c(C2CCCN2C(=O)OC(C)(C)C)n[nH]c1=S,0,0.0,
+Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)c1ccccc1,0,0.0,
+Cn1c(CC(=O)Nc2ccccc2)nnc1SCCOc1ccccc1,0,0.0,
+Cn1c(CC2C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O,0,0.0,
+Cn1c(CCC(=O)Nc2ccc(N3CCOCC3)cc2)nc(=O)c2ccccc21,0,0.0,
+Cn1c(CCCCCN)nc2ccccc21,0,0.0,
+Cn1c(CCCNC(=O)c2ccccc2)nc2ccccc21,0,0.0,
+Cn1c(CCCNC(=O)c2cccs2)nc2ccccc21,0,0.0,
+Cn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nccs1,0,0.0,
+Cn1c(CCN2CCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21,1,100.0,1.0
+Cn1c(CCN2CCCCC2)nc2cc(NC(=O)NC3CCCCC3)ccc21,1,100.0,1.0
+Cn1c(CCN2CCCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21,1,100.0,1.0
+Cn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21,1,100.0,1.0
+Cn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21,1,100.0,1.0
+Cn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21,1,100.0,1.0
+Cn1c(CCN2CCCCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21,1,100.0,1.0
+Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21,1,100.0,1.0
+Cn1c(CCN2CCOCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21,0,0.0,
+Cn1c(CCN2CCOCC2)nc2cc(NC(=O)COc3ccccc3)ccc21,1,100.0,0.0
+Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc21,0,0.0,
+Cn1c(CCNC(=O)OC(C)(C)C)n[nH]c1=S,0,0.0,
+Cn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21,0,0.0,
+Cn1c(CCNC(=O)c2ccccc2)nc2cc(NC(=O)c3ccco3)ccc21,0,0.0,
+Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21,0,0.0,
+Cn1c(CCNC(=O)c2ccccc2F)nnc1SCc1nc2ccccc2c(=O)[nH]1,0,0.0,
+Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)C3CCCCC3)ccc21,0,0.0,
+Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)NC3CCCCC3)ccc21,0,0.0,
+Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)c3ccco3)ccc21,0,0.0,
+Cn1c(CCNC(=O)c2ccco2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21,0,0.0,
+Cn1c(CCNC(=O)c2ccco2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21,0,0.0,
+Cn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+Cn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1,0,0.0,
+Cn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC1,0,0.0,
+Cn1c(CN2CCC(C(N)=O)CC2)c(C#N)c2ccccc21,0,0.0,
+Cn1c(CN2CCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21,0,0.0,
+Cn1c(CN2CCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21,0,0.0,
+Cn1c(CN2CCCC2)nc2cc(NC(=O)c3ccco3)ccc21,0,0.0,
+Cn1c(CN2CCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21,0,0.0,
+Cn1c(CN2CCCCC2)c(C#N)c2ccccc21,0,0.0,
+Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21,0,0.0,
+Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21,1,100.0,0.0
+Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccs3)ccc21,0,0.0,
+Cn1c(CN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21,0,0.0,
+Cn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21,0,0.0,
+Cn1c(CN2CCOCC2)c(C#N)c2ccccc21,0,0.0,
+Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21,0,0.0,
+Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21,0,0.0,
+Cn1c(CN2CCOCC2)nnc1SCC(=O)NCCc1ccccc1,0,0.0,
+Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1nccs1,0,0.0,
+Cn1c(CNC(=O)C(C)(C)C)nc2ccccc21,0,0.0,
+Cn1c(CNC(=O)Cc2ccc3c(c2)OCO3)nnc1SCc1ccccc1,0,0.0,
+Cn1c(CNC(=O)Nc2cccc(Cl)c2)nnc1SCc1ccccc1,0,0.0,
+Cn1c(CNC(=O)Nc2ccccc2)nnc1SCc1ccccc1,0,0.0,
+Cn1c(CNC(=O)Nc2ccccc2Cl)nnc1SCc1ccccc1,0,0.0,
+Cn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21,0,0.0,
+Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21,0,0.0,
+Cn1c(CNc2ccc(Cl)cc2)nc2ccccc21,0,0.0,
+Cn1c(CNc2ccc(Cl)cc2)nnc1SCc1ccccc1,0,0.0,
+Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)OC1CCCCC1,0,0.0,
+Cn1c(CNc2ccccc2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(CNc2ccccc2)nc2ccccc21,0,0.0,
+Cn1c(CNc2ccccc2O)nc2ccccc21,0,0.0,
+Cn1c(CNc2ccccn2)c(C#N)c2ccccc21,0,0.0,
+Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)N1CCc2ccccc21,0,0.0,
+Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)OC1CCCCC1,0,0.0,
+Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)c1ccccc1,0,0.0,
+Cn1c(CNc2nc3ccccc3n2CCN2CCCCC2)nc2ccccc21,0,0.0,
+Cn1c(CO)nc2cc(N)ccc21,0,0.0,
+Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O,0,0.0,
+Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCCC1,0,0.0,
+Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(-c2ccccc2)o1,0,0.0,
+Cn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)O,0,0.0,
+Cn1c(COc2ccc3ccccc3c2)nnc1SCC(N)=O,1,100.0,0.0
+Cn1c(COc2ccccc2)nnc1SCC(=O)NCc1ccccc1,0,0.0,
+Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1,0,0.0,
+Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cn1c(COc2ccccc2)nnc1SCCC(=O)Nc1ccccc1,0,0.0,
+Cn1c(COc2ccccc2)nnc1SCCN1CCOCC1,0,0.0,
+Cn1c(COc2ccccc2)nnc1SCCSc1nnc(COc2ccccc2)n1C,0,0.0,
+Cn1c(COc2ccccc2)nnc1SCc1cc(=O)[nH]c2ccccc12,0,0.0,
+Cn1c(COc2ccccc2)nnc1SCc1nc2ccccc2[nH]1,0,0.0,
+Cn1c(CSCc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1nccs1,0,0.0,
+Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1nccs1,0,0.0,
+Cn1c(CSCc2ccccc2Cl)nnc1SCC(=O)Nc1nccs1,0,0.0,
+Cn1c(CSc2ccccc2)c(C#N)c2ccccc21,0,0.0,
+Cn1c(CSc2nc3ccc(Br)cc3[nH]2)nc2ccccc21,0,0.0,
+Cn1c(CSc2nc3ccccc3s2)n[nH]c1=S,0,0.0,
+Cn1c(CSc2nc3ccccc3s2)nc2ccccc21,0,0.0,
+Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCCN1CCOCC1,0,0.0,
+Cn1c(CSc2ncccn2)nnc1SCC(=O)N1CCCCC1,0,0.0,
+Cn1c(CSc2ncccn2)nnc1SCC(=O)N1CCCc2ccccc21,0,0.0,
+Cn1c(CSc2ncn[nH]2)nc2ccccc21,0,0.0,
+Cn1c(CSc2nnc(SCc3ccccc3)s2)nc2ccccc21,0,0.0,
+Cn1c(Cc2ccc3c(c2)OCO3)nnc1SCC(=O)N1CCc2ccccc2C1,0,0.0,
+Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCOCC1,0,0.0,
+Cn1c(Cc2ccccc2)nnc1SCC(=O)NC1CCCCC1,0,0.0,
+Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Br)s1,1,100.0,1.0
+Cn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1ccccc1,0,0.0,
+Cn1c(Cc2cccs2)n[nH]c1=S,0,0.0,
+Cn1c(Cc2cccs2)nnc1SC/C=C/c1ccccc1,0,0.0,
+Cn1c(Cc2cccs2)nnc1SCC(=O)N1CCc2ccccc21,0,0.0,
+Cn1c(Cc2cccs2)nnc1SCc1nc2ccccc2[nH]1,0,0.0,
+Cn1c(Cc2csc(N)n2)nnc1SC/C=C/c1ccccc1,0,0.0,
+Cn1c(Cc2csc(N)n2)nnc1SCC(=O)NC1CCCCC1,0,0.0,
+Cn1c(Cc2csc(N)n2)nnc1SCC(=O)NCc1ccccc1,0,0.0,
+Cn1c(Cl)cnc1C(O)c1ccccc1,0,0.0,
+Cn1c(Cl)cnc1C1CC(=O)c2cc(Cl)ccc2O1,0,0.0,
+Cn1c(Cl)nc2c1c(=O)n(Cc1cccc(Br)c1)c(=O)n2C,0,0.0,
+Cn1c(Cl)nc2ccccc21,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCC1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCCCC1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCc2ccccc21,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCOCC1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCc2ccccc21,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NC1CCCC1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NC1CCCCC1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCC1CCCO1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCCc1ccccc1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccc(F)cc1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccccc1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccccc1Cl,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccco1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc(Cl)cc1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc(F)cc1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1cccc(Cl)c1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1cccc(F)c1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccccc1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccccc1F,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(N)=O,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccc(F)cc1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1cccc(F)c1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccccc1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccccc1F,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccccn1,0,0.0,
+Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1cccnc1,0,0.0,
+Cn1c(Cn2cnc(Cl)c2Cl)nc2ccccc21,0,0.0,
+Cn1c(Cn2cnc3ccccc32)nc2ccccc21,0,0.0,
+Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)CC(=O)Nc1ccccc1,0,0.0,
+Cn1c(Cn2cnc3ccccc32)nnc1SCc1ccccc1,0,0.0,
+Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N1CCc2ccccc21,0,0.0,
+Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21,0,0.0,
+Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)c1ccc(F)cc1,0,0.0,
+Cn1c(Cn2nnc3ccccc32)nnc1SCC(N)=O,0,0.0,
+Cn1c(N)c(C#N)c(C#N)c1-c1ccccc1,0,0.0,
+Cn1c(N)c(C#N)c2c(c1=S)CSC(C)(C)C2,0,0.0,
+Cn1c(N)c(C(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(N)c(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c(=O)n(C)c1=O,1,100.0,0.0
+Cn1c(N)c(C(=O)COC(=O)C2(c3ccccc3F)CCCC2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(N)c(C(=O)COC(=O)CCC(=O)c2cccs2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(N)c(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)c(=O)n(C)c1=O,0,0.0,
+Cn1c(N)c(C(=O)COC(=O)Cc2ccsc2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(N)c(C(=O)COC(=O)c2ccc3c(c2)OCCO3)c(=O)n(C)c1=O,0,0.0,
+Cn1c(N)c(C(=O)COC(=O)c2ccco2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(N)c(C(=O)COC(=O)c2cccs2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(N)c(C(=O)CSc2ccc3c(c2)OCCO3)c(=O)n(C)c1=O,0,0.0,
+Cn1c(N)c(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(N)c(C(=O)NCc2ccccc2Cl)sc1=S,0,0.0,
+Cn1c(N)c(C(=O)c2cc(-c3ccccn3)nc3ccccc23)c(=O)[nH]c1=O,0,0.0,
+Cn1c(N)c(S(=O)(=O)c2ccc(Br)cc2)c2nc3ccccc3nc21,0,0.0,
+Cn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C,0,0.0,
+Cn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,0,0.0,
+Cn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(Cc1cccc(Br)c1)c(=O)n2C,0,0.0,
+Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,0,0.0,
+Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C,0,0.0,
+Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C,0,0.0,
+Cn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+Cn1c(N2CCCCC2)nc2c1c(=O)n(Cc1cccc(Br)c1)c(=O)n2C,0,0.0,
+Cn1c(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc2ccccc21,0,0.0,
+Cn1c(N2CCN(C(=O)NCc3ccccc3)CC2)nc2ccccc21,0,0.0,
+Cn1c(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21,0,0.0,
+Cn1c(N2CCN(c3ccccn3)CC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,1,100.0,0.0
+Cn1c(N2CCN(c3ccccn3)CC2)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C,0,0.0,
+Cn1c(N2CCOCC2)nc(-c2ccccc2)c1-c1ccccc1,0,0.0,
+Cn1c(N2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C,0,0.0,
+Cn1c(N2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,0,0.0,
+Cn1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)C2CC2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)C2CCCC2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)C2CCCO2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)CC(C)(C)C)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)CC2CCCCC2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)CCC2CCCCC2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)CCc2ccccc2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)Cc2ccc(F)cc2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)Cc2cccs2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2cc(Br)ccc2Cl)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2cc(Cl)ccc2Cl)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2ccc(Br)o2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2ccc(C(C)(C)C)cc2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2ccc(Cl)cc2Cl)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2ccc(F)c(F)c2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2ccc3c(c2)OCO3)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)nc2ccccc21,0,0.0,
+Cn1c(NC(=O)c2ccccc2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2ccccc2Br)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2ccccc2C(F)(F)F)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2ccccc2F)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2ccccc2NC(=O)C(C)(C)C)nc2ccccc21,0,0.0,
+Cn1c(NC(=O)c2ccccc2NC(=O)c2ccco2)nc2ccccc21,0,0.0,
+Cn1c(NC(=O)c2cccnc2)nc2ccccc21,0,0.0,
+Cn1c(NC(=O)c2ccco2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NC(=O)c2cccs2)c(-c2cccs2)c(=O)c2ccccc21,0,0.0,
+Cn1c(NC(=O)c2cccs2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NCC(O)c2ccccc2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C,0,0.0,
+Cn1c(NCC(O)c2ccccc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,0,0.0,
+Cn1c(NCC2CCCO2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,0,0.0,
+Cn1c(NCCCN2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C,0,0.0,
+Cn1c(NCCCN2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,0,0.0,
+Cn1c(NCCCN2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C,0,0.0,
+Cn1c(NCCCO)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,0,0.0,
+Cn1c(NCCCO)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C,0,0.0,
+Cn1c(NCCN2CCCCC2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NCCN2CCOCC2)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C,0,0.0,
+Cn1c(NCCO)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,0,0.0,
+Cn1c(NCCc2ccccc2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NCc2c[nH]c3ccccc23)nc2ccccc21,0,0.0,
+Cn1c(NCc2cc(Br)ccc2O)nc2ccccc21,0,0.0,
+Cn1c(NCc2cccc(Br)c2)nc2ccccc21,0,0.0,
+Cn1c(NCc2ccccc2)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(NCc2ccccc2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C,0,0.0,
+Cn1c(NCc2ccccc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,0,0.0,
+Cn1c(NCc2ccccc2Cl)nc2ccccc21,0,0.0,
+Cn1c(NCc2ccccc2O)nc2ccccc21,0,0.0,
+Cn1c(NCc2cccnc2)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C,0,0.0,
+Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C,0,0.0,
+Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C,0,0.0,
+Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,0,0.0,
+Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C,0,0.0,
+Cn1c(NCc2ccco2)nc2ccccc21,0,0.0,
+Cn1c(NCc2cccs2)nc2ccccc21,0,0.0,
+Cn1c(Nn2cnnc2)nc2ccccc21,0,0.0,
+Cn1c(O)c(/C=N/c2ccccn2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C(=NCCN2CCCCC2)c2ccccc2Cl)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C(=O)c2ccccc2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C(=O)c2ccccc2Cl)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=NC(CC(N)=O)C(=O)O)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=NC2C(=O)C3(C)CCC2C3(C)C)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=NC2CC(C)(C)NC(C)(C)C2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=NC2CC3CCC2(C)C3(C)C)c(=O)[nH]c1=O,0,0.0,
+Cn1c(O)c(C=NC2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=NCCCN2CCCC2=O)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=NCCCNC2CCCCC2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=NCCN2CCN(C(=O)c3ccccc3)CC2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=NCCOc2ccc(Cl)cc2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=NCCc2c[nH]c3ccccc23)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=NCc2ccco2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=NCc2cccs2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=Nc2ccc(Cc3ccncc3)cc2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=Nc2ccc(Cl)cc2)c(=O)n(C)c1=O,0,0.0,
+Cn1c(O)c(C=Nc2ccc3c(c2)CCC3)c(=O)n(C)c1=O,0,0.0,
+Cn1c(OCc2ccc3c(c2)OCO3)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C,0,0.0,
+Cn1c(OCc2cccnc2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C,0,0.0,
+Cn1c(OCc2cccnc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,0,0.0,
+Cn1c(OCc2cccnc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,0,0.0,
+Cn1c(OCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C,0,0.0,
+Cn1c(Oc2ccccc2NCc2cc(Br)ccc2O)cc(=O)n(C)c1=O,0,0.0,
+Cn1c(SC/C=C/c2ccccc2)nnc1-c1ccco1,0,0.0,
+Cn1c(SC/C=C/c2ccccc2)nnc1-c1cccs1,0,0.0,
+Cn1c(SC/C=C/c2ccccc2)nnc1-c1cnccn1,0,0.0,
+Cn1c(SC2=CS(=O)(=O)c3ccccc32)nc2ccccc21,0,0.0,
+Cn1c(SC2C(=O)CC(C)(C)CC2=O)nnc1-c1ccco1,1,100.0,0.0
+Cn1c(SCC(=O)C(C)(C)C)nnc1-c1cccnc1,0,0.0,
+Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccs1,0,0.0,
+Cn1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O,0,0.0,
+Cn1c(SCC(=O)N2CCCCC2)nc2c([nH]c3ccccc32)c1=O,1,100.0,1.0
+Cn1c(SCC(=O)N2CCCCC2)nc2cccnc21,0,0.0,
+Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+Cn1c(SCC(=O)N2CCCCCC2)nc2c([nH]c3ccccc32)c1=O,0,0.0,
+Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1c[nH]c2ccccc12,0,0.0,
+Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1,0,0.0,
+Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1,0,0.0,
+Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccs1,0,0.0,
+Cn1c(SCC(=O)N2CCN(Cc3ccccc3)CC2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1c[nH]c2ccccc12,0,0.0,
+Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cc2ccccc2o1,0,0.0,
+Cn1c(SCC(=O)N2CCOCC2)nc2cccnc21,0,0.0,
+Cn1c(SCC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCCC3,0,0.0,
+Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1Cl,0,0.0,
+Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(NC(=O)c2ccccc2F)cc1,0,0.0,
+Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1,0,0.0,
+Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2F)c1,0,0.0,
+Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1,0,0.0,
+Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cnccn1,0,0.0,
+Cn1c(SCC(=O)N2CCc3ccccc32)nc2cccnc21,0,0.0,
+Cn1c(SCC(=O)N2CCc3ccccc32)nnc1C1CC1,0,0.0,
+Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1,0,0.0,
+Cn1c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nnc1-c1ccco1,0,0.0,
+Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1,0,0.0,
+Cn1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O,0,0.0,
+Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc(C(C)(C)C)cc1,0,0.0,
+Cn1c(SCC(=O)NC2CC2)nnc1-c1ccco1,0,0.0,
+Cn1c(SCC(=O)NC2CC2)nnc1C(F)(F)F,0,0.0,
+Cn1c(SCC(=O)NC2CCCC2)nc2cccnc21,0,0.0,
+Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2cc(Cl)ccc2o1,0,0.0,
+Cn1c(SCC(=O)NC2CCCCCC2)nnc1-c1cccs1,0,0.0,
+Cn1c(SCC(=O)NCC2CCCO2)nc2c([nH]c3ccccc32)c1=O,0,0.0,
+Cn1c(SCC(=O)NCC2CCCO2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+Cn1c(SCC(=O)NCCN2C(=O)CSC2=O)nc2ccccc2c1=O,0,0.0,
+Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc21,0,0.0,
+Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3cccs3)c2c1=O,0,0.0,
+Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1c[nH]c2ccccc12,0,0.0,
+Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1cc2ccccc2cc1O,0,0.0,
+Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1cccs1,0,0.0,
+Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1C1COc2ccccc2O1,0,0.0,
+Cn1c(SCC(=O)NCc2ccccc2)nc2ccccc21,0,0.0,
+Cn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1,0,0.0,
+Cn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O,0,0.0,
+Cn1c(SCC(=O)NCc2ccco2)nnc1-c1c[nH]c2ccccc12,0,0.0,
+Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+Cn1c(SCC(=O)NCc2ccco2)nnc1-c1cccs1,1,100.0,
+Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccco1,0,0.0,
+Cn1c(SCC(=O)NCc2cccs2)nnc1-c1cccs1,0,0.0,
+Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)nnc1-c1cccs1,0,0.0,
+Cn1c(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)nnc1C12CC3CC(CC(C3)C1)C2,0,0.0,
+Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1,0,0.0,
+Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1,0,0.0,
+Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1-c1ccccc1,0,0.0,
+Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1C(O)c1ccccc1,0,0.0,
+Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1,0,0.0,
+Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1,0,0.0,
+Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1,0,0.0,
+Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cnccn1,0,0.0,
+Cn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)nnc1-c1ccccc1,0,0.0,
+Cn1c(SCC(=O)Nc2ccc3cn[nH]c3c2)nnc1-c1cccs1,0,0.0,
+Cn1c(SCC(=O)Nc2ccc3cn[nH]c3c2)nnc1-c1cnccn1,0,0.0,
+Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2ccccc2o1,0,0.0,
+Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1,0,0.0,
+Cn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+Cn1c(SCC(=O)Nc2cccc3ccccc23)nc(O)cc1=O,0,0.0,
+Cn1c(SCC(=O)Nc2ccccc2)nc(O)cc1=O,0,0.0,
+Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccco1,0,0.0,
+Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1,0,0.0,
+Cn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1-c1ccccc1,0,0.0,
+Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1,1,100.0,0.0
+Cn1c(SCC(=O)Nc2nccs2)nnc1C12CC3CC(CC(C3)C1)C2,0,0.0,
+Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1C1COc2ccccc2O1,0,0.0,
+Cn1c(SCC(=O)O)nc2ccccc2c1=O,0,0.0,
+Cn1c(SCC(=O)O)nnc1C1CCCCC1,0,0.0,
+Cn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+Cn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccc2c(c1)OCO2,0,0.0,
+Cn1c(SCC(=O)OCC(=O)c2ccccc2)nnc1-c1cccs1,0,0.0,
+Cn1c(SCC(=O)c2cc3ccccc3o2)nnc1-c1ccccc1,1,100.0,0.0
+Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccco1,0,0.0,
+Cn1c(SCC(=O)c2ccc(F)cc2)nc2cccnc21,0,0.0,
+Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1N,0,0.0,
+Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cnccn1,0,0.0,
+Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1ccccn1,0,0.0,
+Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1C1COc2ccccc2O1,0,0.0,
+Cn1c(SCC(=O)c2ccccc2)nnc1-c1cnccn1,0,0.0,
+Cn1c(SCC(=O)c2ccccc2)nnc1C1CC1,0,0.0,
+Cn1c(SCC(=O)c2ccccc2F)nnc1C1CC1,0,0.0,
+Cn1c(SCC(=O)c2cccs2)nnc1-c1ccco1,0,0.0,
+Cn1c(SCC(N)=O)nnc1-c1ccccc1,0,0.0,
+Cn1c(SCC(N)=O)nnc1C1CCN(C(=O)NC2CCCCC2)CC1,0,0.0,
+Cn1c(SCC(N)=O)nnc1C1CCN(C(=O)NCc2ccccc2)CC1,0,0.0,
+Cn1c(SCC(N)=O)nnc1C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1,0,0.0,
+Cn1c(SCC2CCCCC2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCC2CCCO2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCCCC(=O)c2ccccc2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCCN2CCCCC2)nnc1-c1ccccc1Br,1,100.0,1.0
+Cn1c(SCCOc2ccc(Cl)cc2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCCOc2cccc(Cl)c2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCCOc2ccccc2Cl)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCCS(=O)(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1,0,0.0,
+Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccs1,0,0.0,
+Cn1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1,0,0.0,
+Cn1c(SCc2c(F)cccc2Cl)nnc1-c1cnccn1,0,0.0,
+Cn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1C1COc2ccccc2O1,0,0.0,
+Cn1c(SCc2ccc(Br)cc2)nnc1-c1cccs1,1,100.0,0.0
+Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1,0,0.0,
+Cn1c(SCc2ccc(C#N)cc2Cl)nc2ccccc21,0,0.0,
+Cn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1,0,0.0,
+Cn1c(SCc2ccc(F)cc2)nnc1-c1cccs1,0,0.0,
+Cn1c(SCc2ccc3c(c2)OCO3)nnc1-c1ccccc1,0,0.0,
+Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1,0,0.0,
+Cn1c(SCc2cccc(F)c2)nnc1-c1ccccn1,0,0.0,
+Cn1c(SCc2cccc3ccccc23)nnc1-c1ccco1,0,0.0,
+Cn1c(SCc2ccccc2)nnc1-c1ccc2c(c1)OCO2,0,0.0,
+Cn1c(SCc2ccccc2)nnc1-c1cccs1,0,0.0,
+Cn1c(SCc2ccccc2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCc2ccccc2)nnc1C1CCCNC1,0,0.0,
+Cn1c(SCc2ccccc2Cl)nnc1-c1cnccn1,0,0.0,
+Cn1c(SCc2ccccc2F)nc2cccnc21,0,0.0,
+Cn1c(SCc2ccccc2F)nnc1-c1cnccn1,0,0.0,
+Cn1c(SCc2ccccn2)nnc1-c1ccncc1,0,0.0,
+Cn1c(SCc2ccccn2)nnc1-c1cnccn1,0,0.0,
+Cn1c(SCc2cccnc2)nc2cccnc21,0,0.0,
+Cn1c(SCc2cccnc2)nnc1-c1c[nH]c2ccccc12,0,0.0,
+Cn1c(SCc2ccon2)nc2ccccc2c1=O,0,0.0,
+Cn1c(SCc2cnc(-c3ccccc3)s2)nnc1C1COc2ccccc2O1,0,0.0,
+Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccco1,0,0.0,
+Cn1c(SCc2nc(-c3cccs3)no2)nnc1C1CCCCC1,0,0.0,
+Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccn1,0,0.0,
+Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1,0,0.0,
+Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccs1,0,0.0,
+Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1,0,0.0,
+Cn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccco1,0,0.0,
+Cn1c(SCc2nc3ccccc3n2CCO)nc2ccccc21,1,100.0,0.0
+Cn1c(SCc2nc3ccccc3s2)nnc1-c1ccc2c(c1)OCO2,0,0.0,
+Cn1c(SCc2nc3ccccc3s2)nnc1-c1cccs1,0,0.0,
+Cn1c(SCc2nn[nH]n2)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C,0,0.0,
+Cn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1C1COc2ccccc2O1,0,0.0,
+Cn1c(SCc2nnc(-c3ccccc3Br)o2)nc2sc3c(c2c1=O)CCC3,0,0.0,
+Cn1c(SCc2nnc3n2CCCCC3)nc2ccccc21,0,0.0,
+Cn1c(Sc2nc3ccccc3n2C)nc2ccccc21,0,0.0,
+Cn1c([N+](=O)[O-])cnc1COC(N)=O,0,0.0,
+Cn1c2c([n+]([O-])c1-c1ccccc1)CCC/C2=N/O,0,0.0,
+Cn1c2c(c(=O)[nH]c1=O)C(NC(=O)c1ccco1)(C(F)(F)F)C(=O)N2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)C(CC(=O)Nc1ccccc1)C(=O)N2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)C(NC(=O)C(C)(C)C)(C(F)(F)F)C(=O)N2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)C(NC(=O)c1ccco1)(C(F)(F)F)C(=O)N2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)C(NC(=O)c1cccs1)(C(F)(F)F)C(=O)N2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)C(NS(=O)(=O)c1ccccc1)(C(F)(F)F)C(=O)N2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)C(c1cc3c(cc1Br)OCO3)CC(=O)N2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)C(c1ccc(Br)cc1)Nc1ccccc1O2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)C(c1ccc(O)cc1)Nc1ccccc1O2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)C(c1cccc(Br)c1)C1C(=O)c3ccccc3C1=N2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)C(c1ccccc1OC(F)F)C1=C(CCCC1=O)N2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)C1c3ccccc3OCC1C(C)(C)O2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)CN(CC1CCCO1)CN2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)CN(CCCN1CCOCC1)CN2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)CN(CCN1CCNCC1)CN2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)CN(Cc1ccc(F)cc1)CN2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)CN(Cc1ccc3c(c1)OCO3)CN2,0,0.0,
+Cn1c2c(c(=O)n(C)c1=O)CN(Cc1ccco1)CN2,0,0.0,
+Cn1c2c(c3ccccc31)CC/C2=N\O,0,0.0,
+Cn1c2c(c3ccccc31)CCSC2=O,0,0.0,
+Cn1c2ccc(CC(=O)O)cc2c2cc(CC(=O)O)ccc21,0,0.0,
+Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21,0,0.0,
+Cn1c2ccc(F)cc2c2ncn(CCN3CCOCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c(=O)n2c(=O)c3ccccc3cc12,0,0.0,
+Cn1c2ccccc2c2c(C(=O)N3CCC4(CC3)OCCO4)cn(C3CCCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2c(C(=O)N3CCC4(CC3)OCCO4)cn(C3CCCCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cn(C3CCCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2c(C(=O)N3CCN(c4ccccc4)CC3)cn(C3CCCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2c(C(=O)N3CCN(c4ccccn4)CC3)cn(C3CCCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2c(C(=O)NCC3CCCO3)cn(C3CCCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2c(C(=O)NCCCN3CCCC3=O)cn(C3CCCCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2c(C(=O)NCc3ccco3)cn(C3CCCCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2c(C(=O)O)cn(C3CCCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2cc(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)sc21,0,0.0,
+Cn1c2ccccc2c2ccc(CC(=O)O)cc21,0,0.0,
+Cn1c2ccccc2c2cnn(CC(=O)N3CCN(c4ncccn4)CC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2cnn(CC(=O)O)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2ncn(CCC3=CCCCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2ncn(CCCN3CCOCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2ncn(CCN3CCOCC3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2ncn(Cc3ccco3)c(=O)c21,0,0.0,
+Cn1c2ccccc2c2nn(-c3ccccc3)c(=O)cc21,0,0.0,
+Cn1c2ccccc2c2nnc(SC3CCOC3=O)nc21,0,0.0,
+Cn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc21,0,0.0,
+Cn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc21,0,0.0,
+Cn1c[n+](C)cc1/C=N/O,0,0.0,
+Cn1c[n+](C)cc1C(O)c1ccccc1,0,0.0,
+Cn1cc(-c2nc3ccccc3[nH]2)c2ccccc21,0,0.0,
+Cn1cc(/C(Cc2ccccc2)=N\O)c2ccccc21,0,0.0,
+Cn1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21,0,0.0,
+Cn1cc(/C=N/n2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)c2ccccc21,0,0.0,
+Cn1cc(/C=N/n2cnc3scc(-c4ccccc4)c3c2=O)c2ccccc21,0,0.0,
+Cn1cc(Br)c(C(=O)NC2CCCCC2)n1,0,0.0,
+Cn1cc(Br)cc2nc(C(F)(F)F)nc1-2,0,0.0,
+Cn1cc(C(=O)N2CCC3(CC2)OCCO3)c2c3ccccc3n(C)c2c1=O,0,0.0,
+Cn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c3ccccc3n(C)c2c1=O,0,0.0,
+Cn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+Cn1cc(C(=O)NC2CCCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21,0,0.0,
+Cn1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c2c3ccccc3n(C)c2c1=O,0,0.0,
+Cn1cc(C(=O)NCCN2CCN(c3ccccc3F)CC2)c2c3ccccc3n(C)c2c1=O,1,100.0,0.0
+Cn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+Cn1cc(C(=O)NCN2CCCCC2)c2ccccc21,0,0.0,
+Cn1cc(C(=O)c2ccc(Cl)cc2)cc1-c1nc2ccccc2n1C,0,0.0,
+Cn1cc(C(=O)c2ccc(F)cc2)cc1-c1nc2ccccc2n1C,0,0.0,
+Cn1cc(C(=O)c2ccccc2)c2ccccc21,0,0.0,
+Cn1cc(C(=O)c2ccccc2)cc1-c1nc2ccccc2n1C,0,0.0,
+Cn1cc(C2NC(=O)c3c(sc4c3CCCC4)N2)c2ccccc21,0,0.0,
+Cn1cc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc21,0,0.0,
+Cn1cc(CC(=O)NCCCN2CCCC2=O)c2ccccc21,0,0.0,
+Cn1cc(CC(=O)Nc2cccc(C#N)c2)c2ccccc21,0,0.0,
+Cn1cc(CCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21,0,0.0,
+Cn1cc(CN2CCN(c3ccccc3)CC2)c2ccccc21,1,100.0,1.0
+Cn1cc(CN2CCc3ccccc3C2)c2ccccc21,0,0.0,
+Cn1cc(CNC(=O)C2CCCCC2)cn1,0,0.0,
+Cn1cc(CNC(=O)C2c3ccccc3Oc3ccccc32)cn1,0,0.0,
+Cn1cc(CNC(=O)COc2ccc(Cl)cc2Cl)cn1,0,0.0,
+Cn1cc(CNC(=O)Nc2ccc3c(c2)OCO3)cn1,0,0.0,
+Cn1cc(Cl)c(-c2nc3ccccc3[nH]2)n1,0,0.0,
+Cn1cc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccn2)n1,0,0.0,
+Cn1cc(Cl)c(C(=O)N2CCN(c3ncccn3)CC2)n1,0,0.0,
+Cn1cc(Cl)c(C(=O)NC2CCCC2)n1,0,0.0,
+Cn1cc(Cl)c(C(=O)NC2CCCCCC2)n1,0,0.0,
+Cn1cc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)n1,0,0.0,
+Cn1cc(Cl)nc1C(O)c1ccccc1,0,0.0,
+Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N,0,0.0,
+Cn1cc(S(=O)(=O)CC(=O)N2CCCc3ccccc32)c2ccccc21,0,0.0,
+Cn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21,0,0.0,
+Cn1cc(S(=O)(=O)CC(=O)NC2CCCCC2)c2ccccc21,0,0.0,
+Cn1cc(S(=O)(=O)CC(=O)Nc2ccc(Br)cc2)c2ccccc21,0,0.0,
+Cn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21,0,0.0,
+Cn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21,0,0.0,
+Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21,0,0.0,
+Cn1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(=O)n(C)c1=O,0,0.0,
+Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c(=O)n(C)c1=O,0,0.0,
+Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O,0,0.0,
+Cn1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)n(C)c1=O,0,0.0,
+Cn1cc(S(=O)(=O)N2CCc3ccccc3C2)c(=O)n(C)c1=O,0,0.0,
+Cn1cc(S(=O)(=O)NCc2ccco2)c(=O)n(C)c1=O,0,0.0,
+Cn1cc(S(=O)(=O)NCc2cccs2)c(=O)n(C)c1=O,0,0.0,
+Cn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(=O)n(C)c1=O,0,0.0,
+Cn1cc(S(=O)(=O)Nc2ccc(F)cc2F)c(=O)n(C)c1=O,0,0.0,
+Cn1cc(SCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21,0,0.0,
+Cn1cc(SCC(=O)NCC2CCCO2)c2ccccc21,0,0.0,
+Cn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,0,0.0,
+Cn1cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21,0,0.0,
+Cn1cc(SCC(=O)Nc2nc3ccccc3s2)c2ccccc21,0,0.0,
+Cn1ccc(C(=O)OCC(=O)c2ccccc2)n1,0,0.0,
+Cn1cccc1-c1cc(C(=O)O)[nH]n1,0,0.0,
+Cn1cccc1-c1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1,0,0.0,
+Cn1cccc1-c1nc2ccc(NC(=O)c3ccco3)cc2[nH]1,0,0.0,
+Cn1cccc1-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1,0,0.0,
+Cn1cccc1-c1nc2ccccc2n1Cc1ccccc1,0,0.0,
+Cn1cccc1/C=N/n1cnnc1,0,0.0,
+Cn1cccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+Cn1cccc1C(=O)NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12,0,0.0,
+Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1O,0,0.0,
+Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N,0,0.0,
+Cn1cccc1C(=O)NC(=O)CSc1cccc[n+]1[O-],0,0.0,
+Cn1cccc1C(=O)NC(=O)CSc1nc2ccccc2s1,0,0.0,
+Cn1cccc1C(=O)NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1,0,0.0,
+Cn1cccc1C(=O)NS(=O)(=O)c1ccccc1Cl,0,0.0,
+Cn1cccc1C(=O)Nc1nc(-c2ccccn2)cs1,0,0.0,
+Cn1cccc1C(=O)Nc1nccs1,0,0.0,
+Cn1cccc1C(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,0,0.0,
+Cn1cccc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2,0,0.0,
+Cn1cccc1C(=O)OCC(=O)c1cc2ccccc2o1,0,0.0,
+Cn1cccc1C(=O)OCc1cc(Cl)cc2c1OCOC2,0,0.0,
+Cn1cccc1C(=O)OCc1csc(-c2ccccc2)n1,0,0.0,
+Cn1cccc1C(=O)c1ccc(Cl)cc1Cl,0,0.0,
+Cn1cccc1C(=S)N1CCOCC1,0,0.0,
+Cn1cccc1C(=S)N=P(C1CCCCC1)(N1CCOCC1)N1CCOCC1,0,0.0,
+Cn1cccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)C1CC1,0,0.0,
+Cn1cccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc2c(c1)OCO2,0,0.0,
+Cn1cccc1C1(C(F)(F)F)NCCNC1=O,0,0.0,
+Cn1cccc1C1NC(=O)c2c(sc3c2CCC(C(C)(C)C)C3)N1,0,0.0,
+Cn1cccc1CN1CCN(C(=O)COc2ccccc2)CC1,0,0.0,
+Cn1cccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+Cn1cccc1CNC(=O)Nc1ccc(Cl)cc1,0,0.0,
+Cn1cccc1CNCCc1ccccc1F,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)N2CCCC2)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)N2CCCCCC2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)N2CCCCCC2)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)N2CCOCC2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)N2CCOCC2)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)N2CCc3ccccc32)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NC2CCCC2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NC2CCCC2)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NC2CCCCC2)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NCC2CCCO2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NCC2CCCO2)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NCCc2ccccc2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NCc2ccc(F)cc2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NCc2ccccc2Cl)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NCc2ccco2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)NCc2ccco2)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2ccccc2F)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2ccccc2F)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(=O)Nc2nccs2)n1CCc1ccccc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(N)=O)n1-c1ccc(F)cc1,0,0.0,
+Cn1cccc1Cc1nnc(SCC(N)=O)n1CCc1ccccc1,0,0.0,
+Cn1cccc1P(=O)(c1cccn1C)c1cccn1C,0,0.0,
+Cn1ccnc1-c1nc2ccccc2[nH]c1=O,0,0.0,
+Cn1ccnc1C(=O)c1cc(=O)c2ccccc2o1,0,0.0,
+Cn1ccnc1C(O)(c1nnc(-c2ccccc2)o1)C(F)(F)F,0,0.0,
+Cn1ccnc1C(O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0,0.0,
+Cn1ccnc1C(O)c1ccc(OCc2ccccc2)cc1,0,0.0,
+Cn1ccnc1C(O)c1ccco1,0,0.0,
+Cn1ccnc1P(=S)(c1nccn1C)N1CCOCC1,0,0.0,
+Cn1ccnc1P(=S)(c1nccn1C)c1nccn1C,0,0.0,
+Cn1ccnc1SC(=O)N1c2ccccc2Sc2ccccc21,0,0.0,
+Cn1ccnc1SCC(=O)N(C1CCCCC1)C1CCCCC1,0,0.0,
+Cn1ccnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+Cn1ccnc1SCC(=O)NC1CCCCC1,0,0.0,
+Cn1ccnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+Cn1ccnc1SCC(=O)Nc1ccc2c(c1)COC2=O,0,0.0,
+Cn1ccnc1SCC(=O)Nc1ccc2ccccc2c1,0,0.0,
+Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1,0,0.0,
+Cn1ccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+Cn1ccnc1SCC(=O)Nc1cccc2ccccc12,0,0.0,
+Cn1ccnc1SCC(=O)Nc1sccc1C#N,0,0.0,
+Cn1ccnc1SCC(=O)c1cc2ccccc2o1,1,100.0,0.0
+Cn1ccnc1SCC(=O)c1ccc(Br)cc1,0,0.0,
+Cn1ccnc1SCCC#N,0,0.0,
+Cn1ccnc1SCc1cc(=O)[nH]c2ccccc12,0,0.0,
+Cn1ccnc1SCc1cn2cc(Br)ccc2n1,0,0.0,
+Cn1ccnc1SCc1cn2ccccc2n1,0,0.0,
+Cn1ccnc1Sc1nc(Nc2cccc(Cl)c2)nc(N2CCOCC2)n1,0,0.0,
+Cn1ccnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0,0.0,
+Cn1ccnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1,0,0.0,
+Cn1ccnc1Sc1nnnn1-c1ccccc1,0,0.0,
+Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1,0,0.0,
+Cn1cnc(S(=O)(=O)NCc2cccs2)c1,0,0.0,
+Cn1cnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1,0,0.0,
+Cn1cnc2c(N3CCCCC3)nccc21,0,0.0,
+Cn1cnc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c1=O,0,0.0,
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+Cn1cnc2c1c(=O)n(CC(O)CO)c(=O)n2C,0,0.0,
+Cn1cnc2c1c(=O)n(Cc1c(Cl)cccc1Cl)c(=O)n2C,0,0.0,
+Cn1cnc2c1c(=O)n(Cc1ccc(F)cc1Cl)c(=O)n2C,0,0.0,
+Cn1cnc2c1c(=O)n(Cc1cccc(Br)c1)c(=O)n2C,0,0.0,
+Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,0,0.0,
+Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21,0,0.0,
+Cn1cnc2cc(NC(=O)c3ccco3)ccc21,0,0.0,
+Cn1cnc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21,0,0.0,
+Cn1cnc2cc(OC(=O)c3ccccc3)ccc21,0,0.0,
+Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1,0,0.0,
+Cn1cnnc1SC(C(=O)c1ccccc1)c1ccccc1,0,0.0,
+Cn1cnnc1SCC(=O)N(Cc1ccc2c(c1)OCO2)C1(C(=O)NC2CCCCC2)CCCC1,0,0.0,
+Cn1cnnc1SCC(=O)N1CCC(Cc2ccccc2)CC1,0,0.0,
+Cn1cnnc1SCC(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C,1,100.0,
+Cn1cnnc1SCC(=O)NC(=O)NC1CCCC1,0,0.0,
+Cn1cnnc1SCC(=O)NCc1cccc(C(F)(F)F)c1,0,0.0,
+Cn1cnnc1SCC(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1,0,0.0,
+Cn1cnnc1SCC(=O)Nc1ccccc1,0,0.0,
+Cn1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1,0,0.0,
+Cn1cnnc1SCC(=O)Nc1ccccc1Sc1ccccc1,0,0.0,
+Cn1cnnc1SCC(=O)Nc1sc2c(c1C#N)CCCCC2,0,0.0,
+Cn1cnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2,0,0.0,
+Cn1cnnc1SCC(=O)Nc1sccc1C#N,0,0.0,
+Cn1cnnc1SCC(=O)OCN1C(=O)c2ccccc2C1=O,0,0.0,
+Cn1cnnc1SCC(=O)c1c[nH]c2ccccc12,0,0.0,
+Cn1cnnc1SCC(=O)c1cc2ccccc2oc1=O,0,0.0,
+Cn1cnnc1SCC(=O)c1ccc2c(c1)CCCC2,0,0.0,
+Cn1cnnc1SCC(=O)c1ccco1,0,0.0,
+Cn1cnnc1SCC(=O)n1c2ccccc2c2ccccc21,0,0.0,
+Cn1cnnc1SCCC(=O)Nc1ccccc1,0,0.0,
+Cn1cnnc1SCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+Cn1cnnc1SCNC(=O)C(F)(F)F,0,0.0,
+Cn1cnnc1SCc1ccc(-c2ccc(Br)cc2)o1,0,0.0,
+Cn1cnnc1SCc1ccc(C#N)cc1,0,0.0,
+Cn1cnnc1SCc1ccc(C#N)cc1Cl,0,0.0,
+Cn1cnnc1SCc1ccc(C(=O)O)cc1,1,100.0,
+Cn1cnnc1SCc1ccc(C(=O)n2ncc(C#N)c2N)cc1,1,100.0,0.0
+Cn1cnnc1SCc1ccc(F)c2ccccc12,0,0.0,
+Cn1cnnc1SCc1ccccc1Br,0,0.0,
+Cn1cnnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C,0,0.0,
+Cn1cnnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl,0,0.0,
+Cn1cnnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1,0,0.0,
+Cn1nc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c2ccccc2c1=O,0,0.0,
+Cn1nc(-c2ccc(C(=O)NCC3CCCO3)cc2)c2ccccc2c1=O,0,0.0,
+Cn1nc(-c2ccc(C(=O)Nc3cccnc3)cc2)c2ccccc2c1=O,0,0.0,
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCC(N4CCCCC4)CC3)sc21,0,0.0,
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCCC3)sc21,0,0.0,
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc21,0,0.0,
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21,0,0.0,
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccn4)CC3)sc21,0,0.0,
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCOCC3)sc21,0,0.0,
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NC3CC3)sc21,0,0.0,
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCC3CCCO3)sc21,0,0.0,
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCCN3CCCC3)sc21,0,0.0,
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCCN3CCOCC3)sc21,0,0.0,
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCN3CCOCC3)sc21,0,0.0,
+Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCc3ccco3)sc21,0,0.0,
+Cn1nc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccco3)c2)c2ccccc2c1=O,0,0.0,
+Cn1nc(-c2ccc(N3CCOCC3)c(NC(=O)COc3ccccc3)c2)c2ccccc2c1=O,0,0.0,
+Cn1nc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccccc3)c2)c2ccccc2c1=O,0,0.0,
+Cn1nc(-c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccccc3)c2)c2ccccc2c1=O,0,0.0,
+Cn1nc(-c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)c2ccccc2c1=O,1,100.0,
+Cn1nc(-c2ccc(OCC(=O)NCC3CCCO3)cc2)c2ccccc2c1=O,0,0.0,
+Cn1nc(-c2ccc(OCC(=O)Nc3cccnc3)cc2)c2ccccc2c1=O,0,0.0,
+Cn1nc(-c2ccccc2)c2nc3ccccc3nc21,1,100.0,
+Cn1nc(-c2ccccc2F)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc21,0,0.0,
+Cn1nc(C(=O)N2CCCC2)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(=O)N2CCOCC2)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(=O)NC2CCCCC2)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(=O)NC2CCCCCC2)ccc1=O,0,0.0,
+Cn1nc(C(=O)NCC2CCCO2)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(=O)NCCN2CCOCC2)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(=O)NCc2ccc(F)cc2)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(=O)NCc2ccccc2)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(=O)NCc2ccccn2)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1=O,0,0.0,
+Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1=O,0,0.0,
+Cn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1=O,0,0.0,
+Cn1nc(C(=O)Nc2cccnc2)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(=O)Nc2sccc2C(N)=O)ccc1=O,0,0.0,
+Cn1nc(C(=O)OCC(=O)N2CCc3ccccc32)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O,0,0.0,
+Cn1nc(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCCC2=O)cc1,0,0.0,
+Cn1nc(C(C)(C)C)cc1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2,0,0.0,
+Cn1nc(CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O,0,0.0,
+Cn1nc(CC(=O)NC2CCCCCC2)c2ccccc2c1=O,0,0.0,
+Cn1nc(CC(=O)NCCN2C(=O)CSC2=O)c2ccccc2c1=O,0,0.0,
+Cn1nc(CC(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccccc2c1=O,0,0.0,
+Cn1nc(CC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2c1=O,0,0.0,
+Cn1nc(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O,0,0.0,
+Cn1nc(CC(=O)Nc2cccc3ncccc23)c2ccccc2c1=O,0,0.0,
+Cn1nc(CC(=O)Nc2cccnc2N2CCOCC2)c2ccccc2c1=O,0,0.0,
+Cn1nc(CC(=O)Nc2ncc(Br)s2)c2ccccc2c1=O,0,0.0,
+Cn1nc(N)c2c1N=P(N1CCOCC1)(N1CCOCC1)N=C2c1ccccc1,0,0.0,
+Cn1nc(OCC(N)=O)ccc1=O,0,0.0,
+Cn1nc(OCCOc2ccccc2)ccc1=O,0,0.0,
+Cn1nc(OCc2ccccc2)ccc1=O,0,0.0,
+Cn1nc(SCC(=O)O)sc1=S,0,0.0,
+Cn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1,0,0.0,
+Cn1ncc(C#N)c1/N=C/N(Cc1ccccc1)Cc1ccccc1,0,0.0,
+Cn1ncc(C#N)c1/N=C/N1CCOCC1,0,0.0,
+Cn1ncc(C#N)c1NC(=O)C1CC(c2c(F)cccc2Cl)=NO1,0,0.0,
+Cn1ncc(C#N)c1NC(=O)c1nn2cccnc2c1Cl,0,0.0,
+Cn1ncc(Cl)c1C(=O)N1CCc2ccccc21,0,0.0,
+Cn1ncc(Cl)c1C(=O)Nc1cccnc1,0,0.0,
+Cn1ncc(N)c1C(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+Cn1ncc(N=Cc2c(O)ccc3ccccc23)c1C(=O)N1CCOCC1,0,0.0,
+Cn1ncc(N=Cc2ccccc2)c1C(N)=O,0,0.0,
+Cn1ncc(N=Cc2ccccc2O)c1C(=O)N1CCOCC1,0,0.0,
+Cn1ncc(N=Cc2ccccc2O)c1C(=O)Nc1ccccc1,0,0.0,
+Cn1ncc2c(N3CCOCC3)ncnc21,0,0.0,
+Cn1ncc2c(NCc3ccccc3)ncnc21,0,0.0,
+Cn1ncc2c(Nc3ccc(-c4ccccc4)cc3)ncnc21,0,0.0,
+Cn1ncc2c(Nc3ccc4ccccc4c3)ncnc21,0,0.0,
+Cn1ncc2c(Nc3ccccc3Br)ncnc21,0,0.0,
+Cn1ncc2c1ncn1c(-c3ccccc3Cl)nnc21,0,0.0,
+Cn1ncc2c1ncn1nc(CCc3ccccc3)nc21,0,0.0,
+Cn1ncc2c1ncn1nc(COc3ccc4ccccc4c3)nc21,0,0.0,
+Cn1ncc2nc[nH]c(=O)c21,0,0.0,
+Cn1ncc2nnn(-c3ccccc3)c(=O)c21,0,0.0,
+Cn1nccc1/C=C(/C#N)S(=O)(=O)c1ccccc1,0,0.0,
+Cn1nccc1C(=O)Nc1ccc(OC(=O)c2ccnn2C)cc1,0,0.0,
+Cn1nccc1C(=O)Nc1ccccc1C(=O)O,0,0.0,
+Cn1nccc1C(=O)Nc1cccnc1,0,0.0,
+Cn1nccc1C(=O)Nn1cnnc1,0,0.0,
+Cn1nccc1C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1,0,0.0,
+Cn1nccc1C(=O)c1ccc(Cl)cc1,0,0.0,
+Cn1ncnc2c(=O)n(C)c(=O)nc1-2,0,0.0,
+Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1,0,0.0,
+Cn1nnc(C(O)CN2CCOCC2)n1,0,0.0,
+Cn1nnc(C(O)CNCc2cccs2)n1,0,0.0,
+Cn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1,0,0.0,
+Cn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1,0,0.0,
+Cn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1,0,0.0,
+Cn1nnc(NC(=O)CSc2ncn[nH]2)n1,0,0.0,
+Cn1nnc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)n1,0,0.0,
+Cn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1,0,0.0,
+Cn1nnc(NC(=O)c2cccc(F)c2)n1,0,0.0,
+Cn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1,0,0.0,
+Cn1nnc(NC(=O)c2ccccc2F)n1,0,0.0,
+Cn1nnc(NC(=O)c2ccco2)n1,0,0.0,
+Cn1nnc(NCc2cc(Br)ccc2OCc2cccs2)n1,0,0.0,
+Cn1nnc2c(N3CCCCC3)nccc21,0,0.0,
+Cn1nnc2c(NCc3ccco3)nccc21,0,0.0,
+Cn1nnc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c1=O,0,0.0,
+Cn1nnc2cc(C(=O)N3CCC(c4ccccc4)C3)ccc21,0,0.0,
+Cn1nnc2cc(C(=O)N3CCCCCC3)ccc21,0,0.0,
+Cn1nnc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc21,0,0.0,
+Cn1nnc2cc(C(=O)N3CCSCC3)ccc21,0,0.0,
+Cn1nnc2cc(C(=O)NC(C)(C)C)ccc21,0,0.0,
+Cn1nnc2cc(C(=O)NC3CCCCC3)ccc21,0,0.0,
+Cn1nnc2cc(C(=O)NCCC3=CCCCC3)ccc21,0,0.0,
+Cn1nnc2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc21,0,0.0,
+Cn1nnc2cc(C(=O)NCc3ccco3)ccc21,0,0.0,
+Cn1nnc2cc(C(=O)Nc3cccnc3)ccc21,0,0.0,
+Cn1nnc2cc(NC(=O)N3CC4(C)CC3CC(C)(C)C4)ccc21,0,0.0,
+Cn1nnc2cc(NC(=O)N3CCN(c4ccccn4)CC3)ccc21,0,0.0,
+Cn1nnc2cc(NC(=O)NCc3ccc4c(c3)OCO4)ccc21,0,0.0,
+Cn1nnnc1-c1cc(Br)ccc1NC(=O)c1ccccc1,0,0.0,
+Cn1nnnc1CCOCCc1nnnn1C,0,0.0,
+Cn1nnnc1NCc1c(F)cccc1Cl,0,0.0,
+Cn1nnnc1P(=O)(c1ccccc1)c1ccccc1,0,0.0,
+Cn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1,0,0.0,
+Cn1nnnc1SCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+Cn1nnnc1SCC(=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+Cn1nnnc1SCC(=O)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+Cn1nnnc1SCC(=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+Cn1nnnc1SCC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+Cn1nnnc1SCC(=O)N1CCc2ccccc2C1,0,0.0,
+Cn1nnnc1SCC(=O)N1c2ccccc2CCc2ccccc21,0,0.0,
+Cn1nnnc1SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21,1,100.0,1.0
+Cn1nnnc1SCC(=O)N1c2ccccc2Sc2ccccc21,0,0.0,
+Cn1nnnc1SCC(=O)NC(=O)Cc1ccccc1,0,0.0,
+Cn1nnnc1SCC(=O)NC(=O)NCc1ccccc1,0,0.0,
+Cn1nnnc1SCC(=O)NC(C)(C)C,0,0.0,
+Cn1nnnc1SCC(=O)NC1CCCCC1,0,0.0,
+Cn1nnnc1SCC(=O)NCC(=O)c1ccccc1,0,0.0,
+Cn1nnnc1SCC(=O)NCCCc1ccccc1,0,0.0,
+Cn1nnnc1SCC(=O)NCCc1ccc(Cl)cc1,0,0.0,
+Cn1nnnc1SCC(=O)NCc1cccc(C(=O)O)c1,0,0.0,
+Cn1nnnc1SCC(=O)NCc1ccco1,0,0.0,
+Cn1nnnc1SCC(=O)Nc1c(Cl)cccc1Cl,0,0.0,
+Cn1nnnc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,0,0.0,
+Cn1nnnc1SCC(=O)Nc1ccc(Br)cc1Cl,0,0.0,
+Cn1nnnc1SCC(=O)Nc1ccc(Cl)cc1Cl,0,0.0,
+Cn1nnnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+Cn1nnnc1SCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,0,0.0,
+Cn1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+Cn1nnnc1SCC(=O)Nc1ccccc1-c1ccccc1,0,0.0,
+Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)NCc1ccccc1,0,0.0,
+Cn1nnnc1SCC(=O)Nc1ccccc1Cc1ccccc1,0,0.0,
+Cn1nnnc1SCC(=O)Nc1ccccc1Cl,0,0.0,
+Cn1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+Cn1nnnc1SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1,0,0.0,
+Cn1nnnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O,0,0.0,
+Cn1nnnc1SCC(=O)c1ccco1,0,0.0,
+Cn1nnnc1SCC(=O)c1cccs1,0,0.0,
+Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1,0,0.0,
+Cn1nnnc1SCCNC/C=C/c1ccccc1,0,0.0,
+Cn1nnnc1SCCNCC#Cc1ccccc1,0,0.0,
+Cn1nnnc1SCCNCc1cccc2ccccc12,0,0.0,
+Cn1nnnc1SCCNCc1cccnc1,0,0.0,
+Cn1nnnc1SCCNCc1ccncc1,0,0.0,
+Cn1nnnc1SCCNS(=O)(=O)c1ccccc1,0,0.0,
+Cn1nnnc1SCCOc1ccc(C#N)cc1,0,0.0,
+Cn1nnnc1SCSc1nnnn1C,0,0.0,
+Cn1nnnc1SCc1c(F)cccc1F,0,0.0,
+Cn1nnnc1SCc1cc(=O)[nH]c2ccccc12,0,0.0,
+Cn1nnnc1SCc1cc(=O)n2ccsc2n1,0,0.0,
+Cn1nnnc1SCc1ccc(C(=O)Nc2nccs2)cc1,0,0.0,
+Cn1nnnc1SCc1ccc(F)cc1,0,0.0,
+Cn1nnnc1SCc1cccc(CSc2nnnn2C)n1,0,0.0,
+Cn1nnnc1SCc1ccccc1F,0,0.0,
+Cn1nnnc1SCc1cn2cccnc2n1,0,0.0,
+Cn1nnnc1SCc1csc(Nc2ccccc2)n1,0,0.0,
+Cn1nnnc1SCc1nc2ccccc2[nH]1,0,0.0,
+Cn1nnnc1SCc1nc2ccccc2s1,0,0.0,
+Cn1nnnc1SCc1nnc(-c2ccc(Cl)cc2)o1,0,0.0,
+Cn1nnnc1Sc1nc(-c2cccnc2)nc2ccccc12,0,0.0,
+Cn1nnnc1Sc1ncnc2scc(-c3ccc(F)cc3)c12,0,0.0,
+Cn1nnnc1Sc1ncnc2scc(-c3ccccc3)c12,0,0.0,
+FC(F)(F)/C(=N\P(=S)(N1CCOCC1)N1CCOCC1)N1CCOCC1,0,0.0,
+FC(F)(F)C(F)(F)C(F)(F)c1nnc2ccc(N3CCOCC3)nn12,0,0.0,
+FC(F)(F)C(Oc1nc(NC2CCCCC2)nc(N2CCOCC2)n1)C(F)(F)F,0,0.0,
+FC(F)(F)C12CC(c3ccccc3)=NCCN1CCN2,0,0.0,
+FC(F)(F)C1=NC(C(F)(F)F)=NP(N2CCOCC2)(N2CCOCC2)=N1,0,0.0,
+FC(F)(F)C1CC(c2cccs2)Nc2ncnn21,0,0.0,
+FC(F)(F)COc1nc(N2CCCCC2)nc(N2CCNCC2)n1,0,0.0,
+FC(F)(F)COc1nc(OCC(F)(F)F)nc(N2CCN(c3ccccc3)CC2)n1,0,0.0,
+FC(F)(F)Oc1ccc(Nc2nc3ccccc3o2)cc1,0,0.0,
+FC(F)(F)c1cc(-c2ccc3c(c2)OCO3)nc(NCc2ccco2)n1,0,0.0,
+FC(F)(F)c1cc(-c2ccccc2)nc(N2CCCCC2)n1,0,0.0,
+FC(F)(F)c1cc(-c2ccccc2)nc(N2CCCCCC2)n1,0,0.0,
+FC(F)(F)c1cc(-c2ccccc2)nc(NCC2CCCO2)n1,0,0.0,
+FC(F)(F)c1cc(-c2ccco2)nc(-n2cnc3ccccc32)n1,0,0.0,
+FC(F)(F)c1cc(-c2ccco2)nc(-n2nc(C(F)(F)F)cc2C2CC2)n1,0,0.0,
+FC(F)(F)c1cc(-c2ccco2)nc(-n2nnc3ccccc32)n1,0,0.0,
+FC(F)(F)c1cc(-c2ccco2)nc(N2CCOCC2)n1,0,0.0,
+FC(F)(F)c1cc(-c2ccco2)nc(NCc2ccccc2)n1,0,0.0,
+FC(F)(F)c1cc(-c2ccco2)nc(NCc2cccnc2)n1,0,0.0,
+FC(F)(F)c1cc(-c2ccco2)nc(NCc2ccco2)n1,0,0.0,
+FC(F)(F)c1cc(-c2ccco2)nc(NCc2cccs2)n1,0,0.0,
+FC(F)(F)c1cc(-c2cccs2)nc(N2CCOCC2)n1,0,0.0,
+FC(F)(F)c1cc(-c2cccs2)nc(NCc2ccco2)n1,0,0.0,
+FC(F)(F)c1ccc(-n2ccnc2)nc1,0,0.0,
+FC(F)(F)c1ccc(N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)nc1,0,0.0,
+FC(F)(F)c1ccc(N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)nc1,0,0.0,
+FC(F)(F)c1ccc(N2CCOCC2)c(NC2=NCCCCC2)c1,0,0.0,
+FC(F)(F)c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1,0,0.0,
+FC(F)(F)c1ccc(Sc2nnc(-c3cccs3)n2CC2CCCO2)nc1,0,0.0,
+FC(F)(F)c1ccc2c(c1)NP(=S)(N1CCOCC1)c1nccn1-2,0,0.0,
+FC(F)(F)c1ccc2c(c1)nc1n2CCCC1,0,0.0,
+FC(F)(F)c1ccc2c(c1)ncn2C1CCN(Cc2nnnn2C2CCCCC2)CC1,1,100.0,0.0
+FC(F)(F)c1ccc2c(c1)nnn2C1CCN(Cc2nnnn2Cc2ccccc2)CC1,0,0.0,
+FC(F)(F)c1cccc(-c2ccc(-c3csnn3)o2)c1,0,0.0,
+FC(F)(F)c1cccc(-c2nnc3ccc(C(F)(F)F)cn23)c1,0,0.0,
+FC(F)(F)c1cccc(-n2cccc2/C=N/n2cnnc2)c1,0,0.0,
+FC(F)(F)c1cccc(CN2CCCCCC2)c1,0,0.0,
+FC(F)(F)c1cccc(N2CCN(Cc3cccnc3)CC2)c1,0,0.0,
+FC(F)(F)c1cccc(N2CCN(Cc3ccoc3)CC2)c1,0,0.0,
+FC(F)(F)c1cccc(N2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)c1,0,0.0,
+FC(F)(F)c1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1,0,0.0,
+FC(F)(F)c1cccc(N2CCc3cn[nH]c32)c1,0,0.0,
+FC(F)(F)c1cccc(N2Cc3ccccc3C2)c1,0,0.0,
+FC(F)(F)c1cccc(NCc2cn3cccnc3n2)c1,0,0.0,
+FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1,0,0.0,
+FC(F)(F)c1cccc(OCCOCCn2cncn2)c1,0,0.0,
+FC(F)(F)c1ccccc1Nc1nccs1,0,0.0,
+FC(F)(F)c1cccnc1N1CCN(c2ncnc3nc[nH]c23)CC1,0,0.0,
+FC(F)(F)c1cnc(Nc2ccc(N3CCOCC3)cc2)c(Cl)c1,0,0.0,
+FC(F)(F)c1cnc(Oc2ccc(-c3nnco3)cc2)c(Cl)c1,0,0.0,
+FC(F)(F)c1cnc2c(c1)Nc1ccccc1S2,0,0.0,
+FC(F)(F)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CCCCC2,0,0.0,
+FC(F)(F)c1nc2ncc(Cl)cc2[nH]1,0,0.0,
+FC(F)(F)c1nc2nncn2c2c1CCCCC2,0,0.0,
+FC(F)(F)c1nnc(N2CCN(Cc3ccccc3)CC2)s1,0,0.0,
+FC(F)(F)c1nnc(N2CCN(c3ccccn3)CC2)s1,1,100.0,1.0
+FC(F)(F)c1nnc2ccc(-n3ccnc3)nn12,0,0.0,
+FC(F)(F)c1nnc2ccc(N3CCCCCC3)nn12,0,0.0,
+FC(F)(F)c1nnc2ccc(N3CCOCC3)nn12,0,0.0,
+FC(F)(F)c1nnc2ccc(NCn3nnc4ccccc43)nn12,0,0.0,
+FC(F)(F)c1nnc2sc(-c3ccccn3)nn12,0,0.0,
+FC(F)(F)c1nnc2sc(-c3ccco3)nn12,0,0.0,
+FC(F)(F)c1nnc2sc(-c3cccs3)nn12,0,0.0,
+FC(F)(F)c1nnc2sc(-c3ccncc3)nn12,0,0.0,
+FC(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1,0,0.0,
+FC(F)C(F)(F)C1=CC(c2ccccc2)=NCCN1,0,0.0,
+FC(F)C(F)(F)C1=CC(c2cccs2)=NCCN1,0,0.0,
+FC(F)Oc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1,0,0.0,
+FC(F)Oc1cccc2cccnc12,0,0.0,
+FC(F)Oc1ccccc1C1CC(c2ccc(Br)s2)Nc2ncnn21,0,0.0,
+FC(F)Sc1ccc(Nc2ncnc3nc[nH]c23)cc1,0,0.0,
+FC(F)Sc1nnc(-c2cccs2)n1-c1ccccc1,0,0.0,
+Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,0,0.0,
+Fc1c(F)c(F)c(CSc2nc3ccccc3[nH]2)c(F)c1F,0,0.0,
+Fc1cc(Br)ccc1Nc1nc2ccccc2n2nnnc12,0,0.0,
+Fc1cc(F)c(F)c(SCCc2ccncc2)c1F,0,0.0,
+Fc1cc(F)c2nc(N3CCCCC3)sc2c1,0,0.0,
+Fc1cc(F)c2nc(N3CCOCC3)sc2c1,0,0.0,
+Fc1cc2nc(-c3ccncc3)[nH]c2cc1F,0,0.0,
+Fc1cc2nccnc2cc1N1CCSCC1,0,0.0,
+Fc1cc2ncn(Cc3ccccc3)c2cc1F,0,0.0,
+Fc1ccc(-c2cc(C(F)(F)F)nc(-n3cncn3)n2)cc1,0,0.0,
+Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)cc1,0,0.0,
+Fc1ccc(-c2cc(C(F)(F)F)nc(NCC3CCCO3)n2)cc1,0,0.0,
+Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(CCN5CCOCC5)CC4)n3n2)cc1,0,0.0,
+Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCOCC4)n3n2)cc1,0,0.0,
+Fc1ccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)cc1,0,0.0,
+Fc1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)cc1,0,0.0,
+Fc1ccc(-c2cnc[nH]2)cc1,1,100.0,
+Fc1ccc(-c2csc3nnc(SCc4cccnc4)n23)cc1,0,0.0,
+Fc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1,0,0.0,
+Fc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1,0,0.0,
+Fc1ccc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)cc1,0,0.0,
+Fc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1,0,0.0,
+Fc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1,0,0.0,
+Fc1ccc(-c2nnc(CN3CCC(c4nc5ccccc5s4)CC3)o2)cc1,0,0.0,
+Fc1ccc(-c2nnc(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)o2)cc1,0,0.0,
+Fc1ccc(-c2nnc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)o2)cc1,0,0.0,
+Fc1ccc(-c2nnc(Cc3nnc(-c4ccc(F)cc4)o3)o2)cc1,0,0.0,
+Fc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1,0,0.0,
+Fc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2CC2CCCO2)cc1,0,0.0,
+Fc1ccc(-c2nnc3ccc(N4CCCC4)nn23)cc1,0,0.0,
+Fc1ccc(-c2nnc3ccc(N4CCc5ccccc5C4)nn23)cc1,0,0.0,
+Fc1ccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1,0,0.0,
+Fc1ccc(-c2nnc3sc(C4COc5ccccc5O4)nn23)cc1,0,0.0,
+Fc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,0,0.0,
+Fc1ccc(-n2[nH]nnc2=S)cc1N1CCCC1,0,0.0,
+Fc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1,0,0.0,
+Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nc(-c3cccs3)no2)cc1,0,0.0,
+Fc1ccc(-n2cnnn2)c(F)c1,0,0.0,
+Fc1ccc(Br)cc1/C=N/n1cnnc1,0,0.0,
+Fc1ccc(Br)cc1C1C=C(c2ccc(Br)s2)Nc2ncnn21,0,0.0,
+Fc1ccc(Br)cc1C1C=C(c2cccnc2)Nc2ncnn21,0,0.0,
+Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,0,0.0,
+Fc1ccc(C(c2nnnn2C2CCCC2)N2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+Fc1ccc(C(c2nnnn2C2CCCC2)N2CCN(Cc3ccncc3)CC2)cc1,0,0.0,
+Fc1ccc(C(c2nnnn2Cc2ccccc2)N2CCSCC2)cc1,0,0.0,
+Fc1ccc(C(c2nnnn2Cc2ccco2)N2CCN(C3CCCCC3)CC2)cc1,0,0.0,
+Fc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1,0,0.0,
+Fc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCCC3)CC2)cc1,0,0.0,
+Fc1ccc(C2=Nn3c(Cc4ccccc4)nnc3SC2)cc1,0,0.0,
+Fc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1,0,0.0,
+Fc1ccc(C2C3=C(Nc4ncnn42)c2ccccc2OC3c2ccncc2)cc1,0,0.0,
+Fc1ccc(C2CC(c3ccc(F)cc3)n3ncnc3N2)cc1,0,0.0,
+Fc1ccc(C2CC(c3ccccc3)Nc3ncnn32)cc1,0,0.0,
+Fc1ccc(C2CC(c3ccccc3)n3ncnc3N2)cc1,0,0.0,
+Fc1ccc(C2CC(c3ccco3)n3ncnc3N2)cc1,0,0.0,
+Fc1ccc(CN2CCCCCC2)c(F)c1,0,0.0,
+Fc1ccc(CN2CCCCCCC2)c(F)c1,0,0.0,
+Fc1ccc(CN2CCCCCCC2)cc1F,0,0.0,
+Fc1ccc(CN2CCSCC2)cc1Br,0,0.0,
+Fc1ccc(CNc2ccc(CNc3ncn[nH]3)cc2)cc1,0,0.0,
+Fc1ccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1,0,0.0,
+Fc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1,0,0.0,
+Fc1ccc(COc2ccc(/C=N/n3cnnc3)cc2)cc1,0,0.0,
+Fc1ccc(CSc2nc3ncccc3[nH]2)cc1,0,0.0,
+Fc1ccc(CSc2ncnc3c2oc2ccccc23)cc1,0,0.0,
+Fc1ccc(CSc2ncnc3nc[nH]c23)cc1,0,0.0,
+Fc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1,0,0.0,
+Fc1ccc(CSc2nnc(-c3cccs3)o2)cc1,0,0.0,
+Fc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1,0,0.0,
+Fc1ccc(CSc2nncn2NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+Fc1ccc(Cc2nnc(-c3cccs3)o2)cc1,0,0.0,
+Fc1ccc(Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)cc1,0,0.0,
+Fc1ccc(Cn2nnnc2C(c2cccs2)N2CCCCCC2)cc1,0,0.0,
+Fc1ccc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)cc1,0,0.0,
+Fc1ccc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)cc1,0,0.0,
+Fc1ccc(Cn2nnnc2CN2CCc3ccccc3C2)cc1,0,0.0,
+Fc1ccc(F)c(CN2CCN(c3ncccn3)CC2)c1,0,0.0,
+Fc1ccc(N2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1,0,0.0,
+Fc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,1,100.0,0.0
+Fc1ccc(N2CCN(c3nc(-c4ccco4)cc(C(F)(F)F)n3)CC2)cc1,0,0.0,
+Fc1ccc(NC2=NCCS2)cc1Cl,0,0.0,
+Fc1ccc(NCc2cccnc2)cc1,0,0.0,
+Fc1ccc(NCc2cn3ccccc3n2)cc1,0,0.0,
+Fc1ccc(NCc2nnc(SCc3nnc(-c4ccccc4)o3)n2CC2CCCO2)cc1,0,0.0,
+Fc1ccc(NCc2nnc(SCc3nnc(-c4ccccc4)o3)n2Cc2ccccc2)cc1,0,0.0,
+Fc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1,0,0.0,
+Fc1ccc(Nc2nc(Oc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)c(F)c1,0,0.0,
+Fc1ccc(OCCOCCNCC2CCCO2)cc1,0,0.0,
+Fc1ccc(OCc2nc(-c3ccc(Br)o3)no2)c(F)c1,0,0.0,
+Fc1ccc2[nH]c3c(N4CCN(C5CCCCC5)CC4)ncnc3c2c1,0,0.0,
+Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1,0,0.0,
+Fc1ccc2[nH]c3c(N4CCN(c5ccccc5)CC4)ncnc3c2c1,0,0.0,
+Fc1ccc2[nH]c3c(N4CCSCC4)ncnc3c2c1,1,100.0,
+Fc1ccc2c(Cl)c(-c3nnc(-c4cccs4)o3)sc2c1,0,0.0,
+Fc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccco1)N2,0,0.0,
+Fc1ccc2c(c1)nnn2C1CCN(Cc2ccccc2)CC1,0,0.0,
+Fc1ccc2c(c1)nnn2C1CCN(Cc2nnnn2CCc2ccccc2)CC1,0,0.0,
+Fc1ccc2nc(-c3ccccc3)nc(SCc3nnc(-c4ccccc4)o3)c2c1,0,0.0,
+Fc1ccc2nc(N3CCCCC3)sc2c1,0,0.0,
+Fc1ccc2nc(Nc3nc4c(s3)CCCC4)sc2c1,0,0.0,
+Fc1ccc2nc3[nH]c4ccccc4c3nc2c1,0,0.0,
+Fc1ccc2nc3n(c2c1F)CCCCCC3,0,0.0,
+Fc1cccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCCC4)c1,0,0.0,
+Fc1cccc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCCC4)c1,0,0.0,
+Fc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1,0,0.0,
+Fc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1,0,0.0,
+Fc1cccc(C2CC(c3cccc(Br)c3)Nc3nnnn32)c1,0,0.0,
+Fc1cccc(CN2CCCCCCC2)c1,0,0.0,
+Fc1cccc(CSc2nc3ccncc3[nH]2)c1,0,0.0,
+Fc1cccc(CSc2ncnc3c2oc2ccccc23)c1,0,0.0,
+Fc1cccc(Cl)c1-c1nnc2ccc(N3CCOCC3)nn12,0,0.0,
+Fc1cccc(Cl)c1CSc1ncn[nH]1,0,0.0,
+Fc1cccc(Cl)c1CSc1nnc(COc2cccc3cccnc23)o1,0,0.0,
+Fc1cccc(Cl)c1CSc1nnnn1-c1ccc2c(c1)OCO2,0,0.0,
+Fc1cccc(Cl)c1Cn1nnc(-c2ccc3c(c2)OCO3)n1,0,0.0,
+Fc1cccc(Cl)c1Cn1nnc2c(-n3ccnc3)ncnc21,0,0.0,
+Fc1cccc(Cl)c1Cn1nnc2c(N3CCC4(CC3)OCCO4)ncnc21,0,0.0,
+Fc1cccc(Cl)c1Cn1nnc2c(NCc3ccccn3)ncnc21,0,0.0,
+Fc1cccc(F)c1CN1CCN(c2ncccn2)CC1,0,0.0,
+Fc1cccc(NCc2ccoc2)c1,0,0.0,
+Fc1cccc(NCc2cn3ccccc3n2)c1,0,0.0,
+Fc1cccc(Nc2cc(-n3cccn3)ncn2)c1,0,0.0,
+Fc1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1,0,0.0,
+Fc1cccc2sc(N3CCCCC3)nc12,0,0.0,
+Fc1cccc2sc(N3CCOCC3)nc12,0,0.0,
+Fc1cccc2sc(Nc3nnc(-c4ccccc4)o3)nc12,0,0.0,
+Fc1cccc2sc(Nc3nnc(-c4ccco4)o3)nc12,0,0.0,
+Fc1ccccc1-c1nc(-c2ccccc2)no1,0,0.0,
+Fc1ccccc1-c1nc(N2CCCCC2)c2ccccc2n1,0,0.0,
+Fc1ccccc1-c1nc(NCCCN2CCOCC2)c2ccccc2n1,0,0.0,
+Fc1ccccc1/C=N/n1cnnc1,0,0.0,
+Fc1ccccc1C(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1,1,100.0,
+Fc1ccccc1C(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccco2)CC1,0,0.0,
+Fc1ccccc1CCNc1nnnn1-c1ccccc1,0,0.0,
+Fc1ccccc1COc1ccc(/C=N/n2cnnc2)cc1,0,0.0,
+Fc1ccccc1COc1cccc(/C=N/n2cnnc2)c1,0,0.0,
+Fc1ccccc1CSc1nc2ncccc2[nH]1,0,0.0,
+Fc1ccccc1CSc1ncnc2c1oc1ccccc12,0,0.0,
+Fc1ccccc1CSc1nnc(-c2ccccc2)o1,0,0.0,
+Fc1ccccc1CSc1nnc(-c2cccs2)o1,0,0.0,
+Fc1ccccc1CSc1nnc(-c2cnccn2)n1Cc1ccco1,0,0.0,
+Fc1ccccc1CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1,0,0.0,
+Fc1ccccc1CSc1nnnn1-c1ccc2c(c1)OCO2,0,0.0,
+Fc1ccccc1Cn1nnc2c(-n3ccnc3)ncnc21,0,0.0,
+Fc1ccccc1Cn1nnc2c(NCCc3ccccn3)ncnc21,0,0.0,
+Fc1ccccc1Cn1nnc2c(NCc3ccccn3)ncnc21,0,0.0,
+Fc1ccccc1N1CCN(C(c2ccccn2)c2nnnn2C2CCCCC2)CC1,0,0.0,
+Fc1ccccc1N1CCN(C(c2cccs2)c2nnnn2CCc2ccccc2)CC1,0,0.0,
+Fc1ccccc1N1CCN(C(c2ccncc2)c2nnnn2C2CCCC2)CC1,0,0.0,
+Fc1ccccc1N1CCN(C2CCN(Cc3c[nH]c4ccccc34)CC2)CC1,0,0.0,
+Fc1ccccc1N1CCN(CCCNc2ccc3nncn3n2)CC1,0,0.0,
+Fc1ccccc1N1CCN(Cc2c(F)cccc2F)CC1,0,0.0,
+Fc1ccccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+Fc1ccccc1N1CCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1,0,0.0,
+Fc1ccccc1N1CCN(Cc2nc(-c3ccccc3)no2)CC1,0,0.0,
+Fc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1,0,0.0,
+Fc1ccccc1N1CCN(c2ncnc3[nH]ncc23)CC1,0,0.0,
+Fc1ccccc1NC1CCN(Cc2ccccc2)CC1,0,0.0,
+Fc1ccccc1OCCCCn1cncn1,0,0.0,
+Fc1ccccc1OCCCN1CCOCC1,0,0.0,
+Fc1ccccc1OCCSc1nc2ccccc2o1,0,0.0,
+Fc1cnc(N2CCN(c3ccccc3)CC2)nc1N1CCN(c2ccccc2)CC1,0,0.0,
+Fc1cnc(N2CCOCC2)nc1N1CCc2ccccc21,0,0.0,
+Fc1cnc(N2CCOCC2)nc1NCc1ccccc1,0,0.0,
+N#C/C(=C(/O)CN1C(=O)c2ccccc2C1=O)c1nc2ccccc2[nH]1,0,0.0,
+N#C/C(=C(/O)CN1CCOCC1)c1nc(-c2ccccc2)cs1,0,0.0,
+N#C/C(=C(/O)CN1CCOCC1)c1nc2ccccc2s1,0,0.0,
+N#C/C(=C(/O)COC(=O)CCC1CCCCC1)c1nc2ccccc2[nH]1,0,0.0,
+N#C/C(=C(/O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1,0,0.0,
+N#C/C(=C(/O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1,0,0.0,
+N#C/C(=C(/O)COC(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1,0,0.0,
+N#C/C(=C(/O)COC(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1,0,0.0,
+N#C/C(=C(/O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1nc2ccccc2[nH]1,0,0.0,
+N#C/C(=C(\O)c1ccco1)c1ccccn1,0,0.0,
+N#C/C(=C/N1CCOCC1)c1ccccc1,0,0.0,
+N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(F)cc1,0,0.0,
+N#C/C(=C1/CCCCCN1)c1nc2ccccc2[nH]1,0,0.0,
+N#C/C(=C1/CCCCCN1)c1nc2ccccc2s1,0,0.0,
+N#C/C(=C1/CCCCCN1)c1nnc2n1CCCCC2,0,0.0,
+N#C/C(=C1\CCCN1)c1nc(-c2ccccc2)cs1,0,0.0,
+N#C/C(=C1\CCCN1)c1nc2ccccc2c(=O)[nH]1,0,0.0,
+N#C/C(=C\C1CC=CCC1)c1nc2ccccc2[nH]1,0,0.0,
+N#C/C(=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1nc2ccccc2s1,0,0.0,
+N#C/C(=C\Nc1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1,0,0.0,
+N#C/C(=C\c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1,0,0.0,
+N#C/C(=C\c1c(N2CCOCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1,0,0.0,
+N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1,0,0.0,
+N#C/C(=C\c1ccc(O)c(O)c1)S(=O)(=O)c1ccccc1,0,0.0,
+N#C/C(=C\c1ccc[nH]1)S(=O)(=O)c1ccccc1,0,0.0,
+N#C/C(=C\c1ccc[nH]1)Sc1nc2ccccc2s1,0,0.0,
+N#C/C(=C\c1ccco1)Sc1nc2ccccc2s1,0,0.0,
+N#C/C(=C\c1cccs1)Sc1nc2ccccc2s1,0,0.0,
+N#C/C(=N\O)c1nc(-c2ccccc2)cs1,0,0.0,
+N#C/C(C(=O)N1CCCCC1)=C1\Nc2ccccc2S1,0,0.0,
+N#C/C(C(=O)N1CCOCC1)=C1/SC(Cc2ccccc2)C(=O)N1c1ccccc1,0,0.0,
+N#C/C(C(=O)N1CCOCC1)=C1/SC=C(c2ccccc2)N1c1ccccc1,0,0.0,
+N#C/C(C(=O)N1CCOCC1)=C1\Nc2ccccc2S1,0,0.0,
+N#C/C(C(=O)N1CCOCC1)=c1\s/c(=C/c2ccncc2)c(=O)n1-c1ccccc1,0,0.0,
+N#C/C(C(=O)NCc1ccccc1)=C1\SC(CCO)C(=O)N1c1ccccc1,0,0.0,
+N#C/C(C(=O)NCc1ccco1)=C1/SC(Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1,0,0.0,
+N#C/C(C(=O)NCc1ccco1)=C1/SC(Cc2ccc(F)cc2)C(=O)N1c1ccccc1,0,0.0,
+N#C/C(C(=O)Oc1ccccc1)=C1\C=CC=CN1,0,0.0,
+N#C/C(C(=O)c1ccccc1)=C1/CCCCCN1,1,100.0,0.0
+N#C/C(C(=O)c1ccccc1)=C1/CCCN1,0,0.0,
+N#C/C(C(N)=O)=c1/ccc2c(c1)N1C3=C(CCCC3)CC3CCCCC31N=2,0,0.0,
+N#C/C(Cn1c[n+](NC(=O)Nc2ccccc2)cn1)=N/O,0,0.0,
+N#C/C=C1/NC(=O)c2ccccc2S1,0,0.0,
+N#C/C=C1\Sc2ccccc2C(=O)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+N#C/C=C1\n2c(nc3ccccc32)OC12CCCCC2,0,0.0,
+N#C/C=C\Oc1ccc(Cl)cc1N,0,0.0,
+N#CC(=C1SC=CS1)c1nc(-c2ccccc2)cs1,0,0.0,
+N#CC(C#N)=c1ccc2c(c1)N1C3=C(CCCC3)CC3CCCCC31N=2,0,0.0,
+N#CC(C#N)=c1ccc2c(c1)NC1(CCCCC1)N=2,0,0.0,
+N#CC(C#N)C(c1ccsc1)c1c(-c2ccccc2)[nH][nH]c1=O,0,0.0,
+N#CC(C#SN)=C1CCCCC1,0,0.0,
+N#CC(C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2[nH]1,0,0.0,
+N#CC(C(=O)C1CCCCC1)c1nc2ccccc2[nH]1,0,0.0,
+N#CC(C(=O)CCN1C(=O)C2CC=CCC2C1=O)c1nc2ccccc2[nH]1,0,0.0,
+N#CC(C(=O)NC1CC1)c1nc2ccccc2nc1N1CCCC1,0,0.0,
+N#CC(C(=O)NC1CC1)c1nc2ccccc2nc1N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCC(C(N)=O)CC1,0,0.0,
+N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1,0,0.0,
+N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1,0,0.0,
+N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCOCC1,0,0.0,
+N#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCCCC1,0,0.0,
+N#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCOCC1,0,0.0,
+N#CC(C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCCC1,1,100.0,
+N#CC(C(=O)NCc1ccco1)c1nc2ccccc2nc1N1CCOCC1,0,0.0,
+N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1Nc2ccccc2N1,0,0.0,
+N#CC(C(=O)Nc1ccc(Cl)cc1)=C1Nc2ccccc2N1,0,0.0,
+N#CC(C(=O)Nc1cccc(Cl)c1)=C1Nc2ccccc2N1,0,0.0,
+N#CC(C(=O)Nc1ccccc1)=C1CCCCC1,0,0.0,
+N#CC(C(=O)O)=C1CCCC1,0,0.0,
+N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1,0,0.0,
+N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCOCC1,1,100.0,
+N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCOCC1,0,0.0,
+N#CC(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccccc2[nH]1,1,100.0,0.0
+N#CC(C(=O)c1ccco1)c1ccccn1,0,0.0,
+N#CC(C(N)=O)=C1CCC2(CC1)OCCCCO2,0,0.0,
+N#CC(c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccccc1,0,0.0,
+N#CC(c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1cccs1,0,0.0,
+N#CC(c1nc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+N#CC1(C#N)C2=C(CCCC2)NC(c2ccccc2)C1(C#N)C#N,0,0.0,
+N#CC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1,0,0.0,
+N#CC1(P(=O)(c2ccccc2)c2ccccc2)CC1,0,0.0,
+N#CC1(c2c(O)nc3n(c2=O)CCCS3)CCCCC1,0,0.0,
+N#CC1(c2ccccc2)CCC(=NO)CC1,0,0.0,
+N#CC1(c2ccccc2)CCCN1C(=O)c1ccc(Br)o1,0,0.0,
+N#CC1(c2ccccc2)CCCN1C(=O)c1ccco1,0,0.0,
+N#CC1(c2nc3ccccc3[nH]2)CC1c1ccc2c(c1)OCO2,0,0.0,
+N#CC12C(N)=NC3(OCCO3)C1(C#N)C1=C(CCC1)NC2c1ccccc1,0,0.0,
+N#CC12CCCCC1CC1CCCCC1(C#N)N2CCO,0,0.0,
+N#CC12CCCCC1CC1CCCCC1(C#N)N2Cc1ccccn1,0,0.0,
+N#CC12CCCCC1CC1CCCCC1(C#N)N2Cc1cccnc1,0,0.0,
+N#CC1=C(C2CC2)CC(c2ccccc2)C(C#N)=C1N,0,0.0,
+N#CC1=C(C=Nc2ccccc2O)CCC1,0,0.0,
+N#CC1=C(N)C(C#N)(C#N)C(c2ccc[nH]2)C2CCCC=C12,0,0.0,
+N#CC1=C(N)C(C#N)(C#N)C(c2cccnc2)C2CCCC=C12,0,0.0,
+N#CC1=C(N)C(C#N)(C#N)C(c2cccnc2)C2COCC=C12,0,0.0,
+N#CC1=C(N)C(C#N)(C#N)C2(CCC3(CC2)OCCO3)C2CC3(CC=C12)OCCO3,0,0.0,
+N#CC1=C(N)C(C#N)(C#N)[C@H](c2c(F)cccc2F)[C@H]2CC3(CC=C12)OCCO3,0,0.0,
+N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccncc2)[C@H]2CC3(CC=C12)OCCO3,0,0.0,
+N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccncc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12,0,0.0,
+N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccoc2)[C@H]2CN(Cc3ccccc3)CC=C12,0,0.0,
+N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccsc2)[C@H]2COCC=C12,0,0.0,
+N#CC1=C(N)C2=C(N3CCCCC3)CCCC2C1(C#N)C#N,0,0.0,
+N#CC1=C(N)N(c2ccc(Oc3ccccc3)cc2)C(=O)C1,0,0.0,
+N#CC1=C(N)N(c2ccccc2)C(c2ccccc2)C1(C#N)C#N,0,0.0,
+N#CC1=C(N)N(c2ccccc2)C(c2ccco2)C1(C#N)C#N,0,0.0,
+N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)C1c1cccs1,0,0.0,
+N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)C1c1ccsc1,0,0.0,
+N#CC1=C(N)N(c2ccccc2Sc2ccccc2)C(=O)C1,0,0.0,
+N#CC1=C(N)N2C(=C(C#N)C13CCCCC3)SC1CCCCC12O,0,0.0,
+N#CC1=C(N)N2C(=C(C#N)C13CCN(Cc1ccccc1)CC3)Nc1ccccc12,1,100.0,1.0
+N#CC1=C(N)N2C(=C(C#N)C1c1ccccc1)Sc1ccccc12,0,0.0,
+N#CC1=C(N)N=C(SCc2ccccc2)C(C(N)=O)C12CCCCC2,0,0.0,
+N#CC1=C(N)NC(SCC(=O)Nc2ccccc2)=C(C#N)C12CCCC2,0,0.0,
+N#CC1=C(N)NC(SCC(=O)O)=C(C#N)C12CCCC2,0,0.0,
+N#CC1=C(N)NC(SCc2ccc(Cl)cc2)=C(C#N)C12CCCCC2,0,0.0,
+N#CC1=C(N)NC(SCc2ccc(F)cc2)=C(C#N)C12CCCCC2,0,0.0,
+N#CC1=C(N)NC(SCc2ccccc2)=C(C#N)C12CCCCC2,0,0.0,
+N#CC1=C(N)OC(c2ccccc2)=C(C#N)C1c1ccc2c(c1)OCO2,0,0.0,
+N#CC1=C(N)OC2=C(C(=O)CCC2)C12CCC1(CC2)OCCO1,0,0.0,
+N#CC1=C(N)OC2=C(C(=O)CCC2)C12CCN(C(=O)OCc1ccccc1)CC2,0,0.0,
+N#CC1=C(N)OC2=C(C(=O)CCC2)C1C1C=CCCC1,0,0.0,
+N#CC1=C(N)OC2=C(C(=O)CCC2)C1C1CC=CCC1,0,0.0,
+N#CC1=C(N)OC2=C(C(=O)CCC2)C1CCc1ccccc1,0,0.0,
+N#CC1=C(N)OC2=C(C(=O)CCC2)C1Cc1ccccc1,0,0.0,
+N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1,0,0.0,
+N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccncc1,0,0.0,
+N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccsc1,0,0.0,
+N#CC1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)N(CC(N)=O)c1ccccc12,0,0.0,
+N#CC1=C(N)OC2=C(CCC/C2=C/c2ccoc2)C1c1ccoc1,0,0.0,
+N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(OC(=O)N2CCOCC2)cc1,0,0.0,
+N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1cccnc1,0,0.0,
+N#CC1=C(N)Oc2c(ccc3cccnc23)C1c1cccnc1,0,0.0,
+N#CC1=C(N)Oc2c(oc(CO)cc2=O)C12C(=O)Nc1ccc(Cl)cc12,0,0.0,
+N#CC1=C(N)Oc2c(oc(CO)cc2=O)C1c1cccs1,0,0.0,
+N#CC1=C(N)Oc2c(oc(CO)cc2=O)C1c1ccsc1,0,0.0,
+N#CC1=C(N)Oc2c(sc3ccccc23)C1c1ccco1,0,0.0,
+N#CC1=C(N)Oc2cc(N)ccc2C1C1CC=CCC1,0,0.0,
+N#CC1=C(N)Oc2cc(N)ccc2C1C1CCCCC1,0,0.0,
+N#CC1=C(N)Oc2cc(O)ccc2C1C1CCCCC1,0,0.0,
+N#CC1=C(N)Oc2cc(O)ccc2C1c1ccccc1,0,0.0,
+N#CC1=C(N)Oc2cc(O)ccc2C1c1cccs1,0,0.0,
+N#CC1=C(N)Oc2cc(O)ccc2C1c1ccncc1,0,0.0,
+N#CC1=C(N)Oc2cc3c(cc2C1c1ccc(Cl)cc1)OCO3,0,0.0,
+N#CC1=C(N)Oc2ccccc2C12C(=O)Nc1n[nH]c(-c3ccccc3)c12,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2C1c1cccc(OC(=O)N2CCOCC2)c1,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2C1c1cccnc1,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2C1c1ccncc1,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C12C(=O)Nc1ccccc12,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1cccc(OC(=O)N2CCOCC2)c1,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1cccnc1,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1ccncc1,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1cccnc1,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1ccco1,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1cccs1,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1ccoc1,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1ccsc1,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(-c3ccncc3)c2C1c1ccsc1,0,0.0,
+N#CC1=C(N)Oc2n[nH]c(CSc3ccccc3)c2C12C(=O)Nc1ccccc12,1,100.0,
+N#CC1=C(N)Oc2nc(-c3ccccc3)[nH]c2C1c1cccnc1,0,0.0,
+N#CC1=C(N)SC(N)=C(C#N)C1C1CC=CCC1,0,0.0,
+N#CC1=C(N)SC(N)=C(C#N)C1CCC1CCCCC1,0,0.0,
+N#CC1=C(N)SC(N)=C(C#N)C1CCc1ccccc1,1,100.0,0.0
+N#CC1=C(N)SC(N)=C(C#N)C1Cc1ccccc1,0,0.0,
+N#CC1=C(N)SC(N)=C(C#N)C1c1c(Cl)cccc1Cl,0,0.0,
+N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(C(F)(F)F)cc1,0,0.0,
+N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(Oc2ccccc2)c1,0,0.0,
+N#CC1=C(N)SC(N)=C(C#N)C1c1ccnc2ccccc12,0,0.0,
+N#CC1=C(N)SC(N)=C(C#N)C1c1ccoc1,0,0.0,
+N#CC1=C(N)SC2(CCCCC2)SC1c1ccccc1,0,0.0,
+N#CC1=C(N)S[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccncc1,0,0.0,
+N#CC1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C#N)C1c1ccco1,0,0.0,
+N#CC1=C(N2CCOCC2)N=P(N2CCOCC2)(N2CCOCC2)N=C1c1ccccc1,0,0.0,
+N#CC1=C(NCCc2ccccc2)C(=O)NCCC1,0,0.0,
+N#CC1=C(NCc2ccccc2)C(=O)NCCC1,0,0.0,
+N#CC1=C(Nc2ccc(Br)cc2)CCC1,0,0.0,
+N#CC1=C(O)C(c2ccccc2)n2c1nc(=O)c1ccccc12,0,0.0,
+N#CC1=C(O)CCCn2c1nc1ccccc1c2=O,0,0.0,
+N#CC1=C(SCC(=O)NC23CC4CC(CC(C4)C2)C3)NC(=O)C(C#N)C12CCCCC2,0,0.0,
+N#CC1=C(SCC(=O)NC2CC2)NC(=O)C(C#N)C12CCCCC2,0,0.0,
+N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)CC1c1ccco1,0,0.0,
+N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)CC1c1ccco1,0,0.0,
+N#CC1=C(SCC(=O)Nc2cccc3cccnc23)NC(=O)C(C#N)C12CCCCC2,0,0.0,
+N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccc(O)cc1,0,0.0,
+N#CC1=C(SCC(=O)c2cc3ccccc3oc2=O)NC(=O)C(C#N)C12CCCC2,0,0.0,
+N#CC1=C(SCC(=O)c2ccc(Br)cc2)NC2=C(C(=O)CCC2)C1c1ccco1,0,0.0,
+N#CC1=C(SCC(=O)c2ccc(Cl)cc2)NC2=C(C(=O)CCC2)C1c1ccco1,0,0.0,
+N#CC1=C(SCC(=O)c2ccccc2)NC2=C(C(=O)CCC2)C1c1ccco1,0,0.0,
+N#CC1=C(SCC(N)=O)NC(=O)CC1c1ccccc1Cl,0,0.0,
+N#CC1=C(SCc2ccccc2)NC(=O)C(C#N)C12CCCC2,0,0.0,
+N#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccc(O)cc1,0,0.0,
+N#CC1=C(SCc2ccccc2)NC(=O)CC1c1cccc(O)c1,0,0.0,
+N#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccco1,0,0.0,
+N#CC1=C(SCc2ccccc2)NC2=C(C(=O)CCC2)C1c1ccc2c(c1)OCO2,0,0.0,
+N#CC1=C(SCc2ccccc2Cl)NC(=O)C(C(N)=O)C1,0,0.0,
+N#CC1=C2C=CC=CN2CC1=O,0,0.0,
+N#CC1=C2C=Cc3ccccc3N2CCCC1=O,0,0.0,
+N#CC1=C2SCC(O)(c3ccccc3)N2C(=O)CC1c1ccccc1,0,0.0,
+N#CC1=C2SCC(O)(c3ccccc3)N2C(=O)CC1c1cccs1,0,0.0,
+N#CC1=C2SCCN2C(=O)C(C#N)C12CCCCC2,0,0.0,
+N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)CC1c1ccc2c(c1)OCO2,0,0.0,
+N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)CC1c1ccccc1F,0,0.0,
+N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)CC1c1cccs1,0,0.0,
+N#CC1=C2SCN(Cc3ccco3)CN2C(=O)CC1c1c(F)cccc1Cl,0,0.0,
+N#CC1=C2SCN(Cc3ccco3)CN2C(=O)CC1c1ccc(Cl)cc1,0,0.0,
+N#CC1=C2SCN(Cc3ccco3)CN2C(=O)CC1c1cccc2ccccc12,0,0.0,
+N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)CC1c1cccc(F)c1,0,0.0,
+N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1c(Cl)cccc1Cl,0,0.0,
+N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1ccccc1Cl,0,0.0,
+N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1cccs1,1,100.0,0.0
+N#CC1=C2Sc3ccccc3N2CCCC1=O,0,0.0,
+N#CC1C(=O)NC(N2CCN(c3ccccc3)CC2)=NC12CCCCC2,0,0.0,
+N#CCC(=O)N1CCCCCC1,0,0.0,
+N#CCC(=O)N1CCn2c1nc1ccccc12,0,0.0,
+N#CCC(=O)NCC1(c2ccccc2)CCCC1,0,0.0,
+N#CCC(=O)NCCCOC(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+N#CCC(=O)Nc1ccccc1C(=O)O,0,0.0,
+N#CCC(=O)Nc1ncn(Cc2ccccc2Cl)n1,0,0.0,
+N#CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2,0,0.0,
+N#CCCC12CCCCC1=Nc1ccccc12,0,0.0,
+N#CCCCCN1c2cccc3cccc(c23)S1(=O)=O,0,0.0,
+N#CCCCCn1c(-c2cncs2)nc2ccccc21,0,0.0,
+N#CCCCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21,0,0.0,
+N#CCCCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1,0,0.0,
+N#CCCCSc1ncccc1-c1nc2ccccc2[nH]1,0,0.0,
+N#CCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1,0,0.0,
+N#CCCCSc1nnc(-c2ccccn2)o1,0,0.0,
+N#CCCCSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1,0,0.0,
+N#CCCCSc1nnnn1-c1cccc(Cl)c1,0,0.0,
+N#CCCCn1c(-c2ccccc2)noc1=O,0,0.0,
+N#CCCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1F,0,0.0,
+N#CCCN(C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc2c(c1)OCCO2,0,0.0,
+N#CCCN(C(=O)CSc1ccc2c(c1)OCCO2)c1ccccc1,0,0.0,
+N#CCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1,0,0.0,
+N#CCCN(C(=O)Nc1ccccc1)c1ccccc1,0,0.0,
+N#CCCN(C(=O)c1ccco1)c1ccccc1,0,0.0,
+N#CCCN(C1CCCCC1)S(=O)(=O)CCOc1ccccc1,0,0.0,
+N#CCCN(CC(=O)O)S(=O)(=O)c1ccccc1,0,0.0,
+N#CCCN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl,0,0.0,
+N#CCCN(CCC#N)C(=O)c1ccc(Cl)cc1,0,0.0,
+N#CCCN(CCC#N)C(=O)c1ccc2c(c1)OCO2,0,0.0,
+N#CCCN(CCC#N)c1nnc(-c2ccccc2)s1,0,0.0,
+N#CCCN(CCC#N)c1nncs1,0,0.0,
+N#CCCN(Cc1cccnc1)C(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+N#CCCN(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1,0,0.0,
+N#CCCN(Cc1cccnc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1,0,0.0,
+N#CCCN1CCN(C(=S)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1,0,0.0,
+N#CCCN1CCN(C(=S)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1,0,0.0,
+N#CCCN1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3)o2)CC1,0,0.0,
+N#CCCN1CCN(C(=S)c2ccc(-c3cccc(Cl)c3)o2)CC1,0,0.0,
+N#CCCN1CCN(C(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1,0,0.0,
+N#CCCN1CCN(C2=NC(=O)C(=C3CCCCC3)S2)CC1,0,0.0,
+N#CCCN1CCN(CCC#N)CC1,0,0.0,
+N#CCCN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1,0,0.0,
+N#CCCN1CCN(Cn2c3ccccc3c3ccccc32)CC1,0,0.0,
+N#CCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1,0,0.0,
+N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,0,0.0,
+N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1,0,0.0,
+N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,0,0.0,
+N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1,0,0.0,
+N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1,0,0.0,
+N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1,0,0.0,
+N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)CC1,0,0.0,
+N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1,1,100.0,0.0
+N#CCCN1CCn2c1nc1ccccc12,0,0.0,
+N#CCCNC(=O)CCN1CCOCC1,0,0.0,
+N#CCCNCC1(c2ccccc2)CCCC1,0,0.0,
+N#CCCNc1ccc(OCCC#N)cc1,0,0.0,
+N#CCCS(=O)(=O)c1nnnn1-c1ccccc1,0,0.0,
+N#CCCSCc1ccc(C(=O)O)o1,0,0.0,
+N#CCCSCc1ccc(OCC(=O)O)cc1,0,0.0,
+N#CCCSCc1ccc2oc(C(=O)O)cc2c1,0,0.0,
+N#CCCSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+N#CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2,0,0.0,
+N#CCCSc1ncnc2c1oc1ccccc12,0,0.0,
+N#CCCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21,0,0.0,
+N#CCCn1c(C(C#N)(CCC#N)CCC#N)nc2ccccc21,0,0.0,
+N#CCCn1c(Cl)nc2ccccc21,0,0.0,
+N#CCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccc21,1,100.0,1.0
+N#CCCn1c(SCC(=O)NCC2CCCO2)nc2ccccc21,0,0.0,
+N#CCCn1c(SCC(=O)NCCc2ccc(F)cc2)nc2ccccc21,0,0.0,
+N#CCCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc21,0,0.0,
+N#CCCn1c2ccccc2c2nc3ccccc3nc21,0,0.0,
+N#CCCn1cc(/C=N/O)c(-c2ccc(-c3ccccc3)cc2)n1,0,0.0,
+N#CCCn1cc(C(CC(=O)c2ccc(Br)cc2)C(=O)O)c2ccccc21,0,0.0,
+N#CCCn1cc(C(CC(=O)c2ccccc2)C(=O)O)c2ccccc21,0,0.0,
+N#CCCn1cc(CN(Cc2ccccc2)C(=O)c2ccco2)c(-c2ccc(Cl)cc2)n1,0,0.0,
+N#CCCn1ccc(NC(=O)c2ccc(Cl)cc2)n1,0,0.0,
+N#CCCn1cnc2c(=S)nc[nH]c21,0,0.0,
+N#CCCn1cnc2ccccc21,0,0.0,
+N#CCCn1nc(-c2ccccc2)cc1-n1c(C(F)(F)F)nc2ccccc21,0,0.0,
+N#CCCn1nc(-c2ccccc2)cc1Nc1ccccc1NC(=O)c1cccs1,0,0.0,
+N#CCCn1ncc2ccccc21,0,0.0,
+N#CCCn1ncn(-c2ccccc2)c1=S,0,0.0,
+N#CCCn1nnc2ccccc21,0,0.0,
+N#CCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+N#CCSC1=Nc2ccccc2C2=NC(CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12,0,0.0,
+N#CCSCC(=O)Nc1ccc(F)cc1,0,0.0,
+N#CCSCC(=O)Nc1ccccc1,0,0.0,
+N#CCSc1n[nH]c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3,0,0.0,
+N#CCSc1nc(-c2ccccc2)cs1,0,0.0,
+N#CCSc1nc(N)c(C#N)c(C2CCCCC2)c1C#N,0,0.0,
+N#CCSc1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1,0,0.0,
+N#CCSc1nc2[nH]ncc2c(=O)n1-c1ccccc1Br,0,0.0,
+N#CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2,0,0.0,
+N#CCSc1nc2c(c(C3CC=CCC3)c1C#N)CCC2,0,0.0,
+N#CCSc1nc2c(cc1C#N)CCCC2,0,0.0,
+N#CCSc1nc2c(cc1C#N)CCCCCC2,1,100.0,1.0
+N#CCSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccc(F)cc1,0,0.0,
+N#CCSc1nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c2nc3ccccc3n12,0,0.0,
+N#CCSc1nc2cc(C(=O)N3CCCC3)ccc2c(=O)n1Cc1ccccc1,0,0.0,
+N#CCSc1nc2ccc(N3CCCCC3)cc2c(=O)n1Cc1ccccc1,0,0.0,
+N#CCSc1nc2ccccc2c(=O)n1-c1ccccc1,0,0.0,
+N#CCSc1nc2ccccc2c(=O)n1CCC(=O)NC1CCCCC1,0,0.0,
+N#CCSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccccc1,0,0.0,
+N#CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3,0,0.0,
+N#CCSc1nc2scc(-c3cccs3)c2c(=O)n1CCc1ccccc1,1,100.0,0.0
+N#CCSc1ncnc2sc3c(c12)CCC3,0,0.0,
+N#CCSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CC1CCCO1,0,0.0,
+N#CCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1,0,0.0,
+N#CCSc1nnc(-c2ccccc2O)n1CCc1ccccc1,0,0.0,
+N#CCSc1nnc(-c2cccnc2)n1-c1ccccc1,0,0.0,
+N#CCSc1nnc(C2CCCCC2)n1-c1ccccc1,0,0.0,
+N#CCSc1nnc(C2CCCCC2)n1Cc1ccccc1,0,0.0,
+N#CCSc1nnc(CNc2cccc(Cl)c2)o1,0,0.0,
+N#CCSc1nnc(COc2ccc3ccccc3c2)o1,0,0.0,
+N#CCSc1nnc(COc2cccc3ccccc23)n1-c1cccc(Cl)c1,0,0.0,
+N#CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1,0,0.0,
+N#CCSc1nnc(Cc2ccc3c(c2)OCO3)o1,0,0.0,
+N#CCSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1,0,0.0,
+N#CCSc1nnc(Cc2cccs2)n1C1CCCCC1,0,0.0,
+N#CCSc1nnc(N)s1,0,0.0,
+N#CCSc1nnc2c(Cl)cc(Cl)cn12,0,0.0,
+N#CCSc1nnc2ccc3ccccc3n12,0,0.0,
+N#CCSc1nnc2sc3ccccc3n12,0,0.0,
+N#CC[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2,0,0.0,
+N#CCc1c(C#N)c(N)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C#N,0,0.0,
+N#CCc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,0,0.0,
+N#CCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1,0,0.0,
+N#CCc1nc(CSc2nc3ccccc3o2)cs1,0,0.0,
+N#CCc1nc(CSc2nc3ccccc3s2)cs1,0,0.0,
+N#CCc1nc2c3c4c(sc3ncn2n1)CCCC4,0,0.0,
+N#CCc1nc2n(n1)Cc1ccccc1-2,0,0.0,
+N#CCc1nnc2n1-c1ccccc1CCC2,0,0.0,
+N#CCn1c(C2CCCCC2)nc2ccccc2c1=O,0,0.0,
+N#CCn1nnc(-c2ccc3c(c2)OCO3)n1,0,0.0,
+N#CN(CC(N)=O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1,0,0.0,
+N#CN=C1CCCCCN1CC(N)=O,0,0.0,
+N#CN=C1SCCS1,0,0.0,
+N#CNC(N)=Nc1cccc(Cl)c1,0,0.0,
+N#CNC1=NCN(CCc2ccccc2)CN1,0,0.0,
+N#CNC1=NCN(Cc2ccccc2)CN1,0,0.0,
+N#C[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2C2c3ccccc3C=CN21,0,0.0,
+N#Cc1c(-c2ccc(Cl)cc2Cl)nc2n(c1=O)CCS2,0,0.0,
+N#Cc1c(-c2ccc3c(c2)OCO3)csc1N,0,0.0,
+N#Cc1c(-c2ccccc2)cc(-c2ccco2)c(C#N)c1N,0,0.0,
+N#Cc1c(-c2ccccc2)cc(C2CC2)nc1N,0,0.0,
+N#Cc1c(-c2ccccc2)nc(N2CCCCCC2)[nH]c1=O,0,0.0,
+N#Cc1c(-c2ccccc2)nc(N2CCOCC2)[nH]c1=O,0,0.0,
+N#Cc1c(-c2ccccc2)nc(SCc2nc(N)nc(N3CCCCC3)n2)[nH]c1=O,0,0.0,
+N#Cc1c(-c2ccccc2Cl)cc(C2CC2)nc1N,0,0.0,
+N#Cc1c(-c2cccnc2)c2c([nH]c1=S)CCCC2,0,0.0,
+N#Cc1c(-c2ccco2)c2c([nH]c1=S)CCCC2,0,0.0,
+N#Cc1c(-c2ccco2)cc(-c2ccc(F)cc2)nc1N,0,0.0,
+N#Cc1c(-c2ccco2)cc(-c2cccnc2)nc1N,0,0.0,
+N#Cc1c(-c2ccco2)cc(C2CC2)nc1N,0,0.0,
+N#Cc1c(-c2ccco2)cc(C2CC2)nc1SCC(=O)c1ccccc1,0,0.0,
+N#Cc1c(-c2ccco2)nc(NCC2CCCO2)[nH]c1=O,0,0.0,
+N#Cc1c(-c2ccco2)nc(SCC(=O)Nc2cccc(Cl)c2)[nH]c1=O,0,0.0,
+N#Cc1c(-c2ccco2)nc(SCc2ccc(F)cc2)[nH]c1=O,0,0.0,
+N#Cc1c(-c2cccs2)cc(-c2cccnc2)nc1N,0,0.0,
+N#Cc1c(-n2cccc2/C=N/O)sc2c1CCCC2,1,100.0,1.0
+N#Cc1c(/N=C/N2CCCC2)oc(-c2ccccc2)c1-c1ccccc1,0,0.0,
+N#Cc1c(/N=C/c2c(O)n(Cc3ccco3)c(=O)[nH]c2=O)sc2c1CCCC2,0,0.0,
+N#Cc1c(/N=C/c2ccco2)oc(-c2ccccc2)c1-c1ccccc1,0,0.0,
+N#Cc1c(/N=C/c2ccco2)sc2c1CCC2,0,0.0,
+N#Cc1c(/N=C/c2ccco2)sc2c1CCCCC2,0,0.0,
+N#Cc1c(/N=C/c2cccs2)sc2c1CCC2,0,0.0,
+N#Cc1c(/N=C/c2cccs2)sc2c1CCCCC2,0,0.0,
+N#Cc1c(C#N)c(-c2ccccc2)n(-c2ccc(C(=O)O)cc2)c1N,0,0.0,
+N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1nc(N)nc(N2CCOCC2)n1,0,0.0,
+N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCc1ccccn1,0,0.0,
+N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCc1ccncc1,0,0.0,
+N#Cc1c(C(F)(F)F)cc(C2CC2)[nH]c1=O,0,0.0,
+N#Cc1c(F)cccc1N1CCOCC1,0,0.0,
+N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1,0,0.0,
+N#Cc1c(N)c(C#N)c(-c2ccc(O)cc2)c2c1CCCC2,0,0.0,
+N#Cc1c(N)c(C#N)c(-c2ccc3c(c2)OCO3)c2c1CCCC2,0,0.0,
+N#Cc1c(N)c(C(=O)c2ccc(Br)cc2)n2c1CCC2,0,0.0,
+N#Cc1c(N)c(C(=O)c2ccc(Cl)cc2)n2c1CCC2,0,0.0,
+N#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCC2,0,0.0,
+N#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCCC2,0,0.0,
+N#Cc1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,0,0.0,
+N#Cc1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12,0,0.0,
+N#Cc1c(N)n(CCNC(=O)Nc2ccccc2)c2nc3ccccc3nc12,0,0.0,
+N#Cc1c(N)n(CCNC(=O)c2cccs2)c2nc3ccccc3nc12,0,0.0,
+N#Cc1c(N)n(CCOC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc12,0,0.0,
+N#Cc1c(N)n(CCOC(=O)c2cccc(Br)c2)c2nc3ccccc3nc12,0,0.0,
+N#Cc1c(N)n(CCSc2ccccc2)c2nc3ccccc3nc12,0,0.0,
+N#Cc1c(N)n[nH]c1-c1cc2c([nH]1)CCCC2,0,0.0,
+N#Cc1c(N)nc(-c2ccccc2)nc1-c1ccccc1,0,0.0,
+N#Cc1c(N)nc(SC2CCCCC2=O)c(C#N)c1-c1ccco1,0,0.0,
+N#Cc1c(N)nc(SCC(=O)NC2CCCCC2)c(C#N)c1-c1ccc(Cl)cc1,0,0.0,
+N#Cc1c(N)nc(SCC(=O)NCCc2ccccc2)c(C#N)c1-c1cccs1,0,0.0,
+N#Cc1c(N)nc(SCC(=O)NCc2ccc3c(c2)OCO3)c(C#N)c1-c1cccs1,0,0.0,
+N#Cc1c(N)nc(SCC(=O)OCc2ccccc2)c(C#N)c1-c1ccco1,0,0.0,
+N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccco1,0,0.0,
+N#Cc1c(N)nc(SCc2ccccn2)c(C#N)c1-c1cccs1,0,0.0,
+N#Cc1c(N)nc(SCc2ccncc2)c(C#N)c1-c1cccs1,0,0.0,
+N#Cc1c(N)nc2c(c1-c1ccc3c(c1)OCO3)CCCCCC2,0,0.0,
+N#Cc1c(N)nc2c(c1-c1cccc(O)c1)CCCCCC2,0,0.0,
+N#Cc1c(N)nc2c(c1-c1ccccc1)CCCC2,0,0.0,
+N#Cc1c(N)nc2c(c1-c1cccnc1)CCCCC2,0,0.0,
+N#Cc1c(N)nc2c(c1-c1ccco1)CCCCC2,0,0.0,
+N#Cc1c(N)nc2c(c1-c1ccncc1)CCCC2,0,0.0,
+N#Cc1c(N)nc2c(c1-c1ccncc1)CCCCC2,0,0.0,
+N#Cc1c(N)nc2c(c1-c1ccncc1)CCCCCC2,0,0.0,
+N#Cc1c(N)nc2c(c1N)CC(=O)N2c1ccccc1-c1ccccc1,0,0.0,
+N#Cc1c(N)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2,0,0.0,
+N#Cc1c(N)oc(-c2ccccc2)c1-c1ccccc1,0,0.0,
+N#Cc1c(N)oc(-c2ccco2)c1-c1ccco1,0,0.0,
+N#Cc1c(N)oc(-c2cccs2)c1-c1cccs1,0,0.0,
+N#Cc1c(N)sc(=S)c2c1CCCC2,0,0.0,
+N#Cc1c(N)sc(=S)c2c1CCCCC2,0,0.0,
+N#Cc1c(N)sc(=S)c2c1CCN(Cc1ccccc1)C2,0,0.0,
+N#Cc1c(N)sc2c1CCCCCC2,0,0.0,
+N#Cc1c(N)sc2c1CCN(C(=O)OCc1ccccc1)C2,0,0.0,
+N#Cc1c(N2C(=O)C3C4C=CC(C4)C3C2=O)sc2c1CCC2,0,0.0,
+N#Cc1c(N2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)sc2c1CCCC2,0,0.0,
+N#Cc1c(N2CCCC2)nc(N)c2c(N)nc(N3CCCC3)cc12,0,0.0,
+N#Cc1c(N2CCCCC2)nc(N2CCCCC2)c2c1CCN(Cc1ccccc1)C2,0,0.0,
+N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)nc(-c2ccccc2)c2c1CCCC2,0,0.0,
+N#Cc1c(N2CCOCC2)nc(-c2ccco2)c2c1CCCC2,0,0.0,
+N#Cc1c(N2CCOCC2)nc(N2CCCCC2)c2c1CCN(C1CCCCC1)C2,0,0.0,
+N#Cc1c(NC(=O)CCC(=O)O)sc2c1CCCC2,0,0.0,
+N#Cc1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)oc(-c2ccccc2)c1-c1ccccc1,1,100.0,
+N#Cc1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)oc(-c2ccccc2)c1-c1ccccc1,0,0.0,
+N#Cc1c(NC(=O)CCn2cnc3ccccc3c2=O)oc(-c2ccccc2)c1-c1ccccc1,0,0.0,
+N#Cc1c(NC(=O)CN2CCCCC2)sc2c1CCC2,0,0.0,
+N#Cc1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)sc2c1CCCCC2,0,0.0,
+N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)sc2c1CCC2,0,0.0,
+N#Cc1c(NC(=O)CN2CCOCC2)oc(-c2ccccc2)c1-c1ccccc1,0,0.0,
+N#Cc1c(NC(=O)COC(=O)C2CC3C=CC2C3)oc(-c2ccccc2)c1-c1ccccc1,0,0.0,
+N#Cc1c(NC(=O)CSC2=NCCS2)sc2c1CCCC2,0,0.0,
+N#Cc1c(NC(=O)CSCC(=O)O)sc2c1CCCC2,0,0.0,
+N#Cc1c(NC(=O)CSc2n[nH]c(Cc3ccccc3)n2)oc(-c2ccccc2)c1-c1ccccc1,0,0.0,
+N#Cc1c(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)sc2c1CCCC2,0,0.0,
+N#Cc1c(NC(=O)CSc2nc(N)cc(=O)[nH]2)sc2c1CCCCCC2,0,0.0,
+N#Cc1c(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)sc2c1CCCC2,0,0.0,
+N#Cc1c(NC(=O)CSc2ncc(-c3ccccc3)n2CC2CCCO2)sc2c1CCCC2,0,0.0,
+N#Cc1c(NC(=O)CSc2ncn(-c3ccccc3)n2)sc2c1CCCC2,0,0.0,
+N#Cc1c(NC(=O)CSc2ncn[nH]2)sc2c1CCCCC2,0,0.0,
+N#Cc1c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)sc2c1CCCC2,0,0.0,
+N#Cc1c(NC(=O)CSc2ncnc3sccc23)oc(-c2ccco2)c1-c1ccco1,0,0.0,
+N#Cc1c(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)sc2c1CCCC2,0,0.0,
+N#Cc1c(NC(=O)CSc2nnc(-c3ccncc3)n2CC2CCCO2)sc2c1CCCC2,0,0.0,
+N#Cc1c(NC(=O)CSc2nnnn2C2CCCC2)sc2c1CCCC2,0,0.0,
+N#Cc1c(NC(=O)CSc2nnnn2C2CCCCC2)sc2c1CCCC2,0,0.0,
+N#Cc1c(NC(=O)Cn2c(=O)oc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1,0,0.0,
+N#Cc1c(NC(=O)Cn2cnc3ccccc3c2=O)oc(-c2ccccc2)c1-c1ccccc1,0,0.0,
+N#Cc1c(NC(=O)c2cc(-n3cnnc3)ccc2Cl)sc2c1CCCC2,1,100.0,0.0
+N#Cc1c(NC(=O)c2cc(C3CC3)on2)sc2c1CCC2,0,0.0,
+N#Cc1c(NC(=O)c2ccc(Br)o2)n(-c2ccccc2)c2nc3ccccc3nc12,0,0.0,
+N#Cc1c(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)sc2c1CCCCCC2,0,0.0,
+N#Cc1c(NC(=O)c2ccncc2)sc2c1CCC2,0,0.0,
+N#Cc1c(NC(=O)c2nc3ncccn3n2)sc2c1CCCCC2,0,0.0,
+N#Cc1c(NC(NC(=O)c2ccco2)C(=O)c2ccccc2)sc2c1CCCC2,0,0.0,
+N#Cc1c(NCCCO)nc(-c2ccccc2)c2c1CCCC2,0,0.0,
+N#Cc1c(NCCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2,0,0.0,
+N#Cc1c(NCCN)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2,0,0.0,
+N#Cc1c(NCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2,0,0.0,
+N#Cc1c(NCc2ccccc2)ccnc1NCc1cccnc1,1,100.0,1.0
+N#Cc1c(Nc2ccccc2)c(C=NCCN2CCOCC2)c[nH]c1=O,0,0.0,
+N#Cc1c(SCC(=O)N2CCCCC2)nsc1SCC(=O)N1CCCCC1,0,0.0,
+N#Cc1c(SCC(=O)N2CCOCC2)nsc1SCC(=O)N1CCOCC1,0,0.0,
+N#Cc1c(SCC(=O)Nc2nccs2)nc2c(c1-c1ccco1)CCCC2,0,0.0,
+N#Cc1c(SCC(=O)O)nc(N2CCCCC2)c2c1CCCC2,0,0.0,
+N#Cc1c(SCC(N)=O)nc(-c2ccccc2)c2c1CCCC2,0,0.0,
+N#Cc1c(SCC(N)=O)nc2c(c1-c1ccc(O)cc1)CCCC2,0,0.0,
+N#Cc1c(SCC(N)=O)nsc1SCc1ccc(Cl)cc1,0,0.0,
+N#Cc1c(SCC(N)=O)nsc1SCc1ccccc1Cl,0,0.0,
+N#Cc1c(SCc2ccccc2)nc(N2CCOCC2)c2c1CCCC2,0,0.0,
+N#Cc1c2c(c(-c3ccccc3)[nH]c1=O)CCCC2,0,0.0,
+N#Cc1c2c(c(-c3ccco3)[nH]c1=O)CCCC2,0,0.0,
+N#Cc1c2c(c(=S)n(-c3ccccc3)c1N)CCCC2,0,0.0,
+N#Cc1c2c(c(N3CCN(CCO)CC3)n3c1nc1ccccc13)CCCC2,0,0.0,
+N#Cc1c2c(c(N3CCN(c4ccccn4)CC3)n3c1nc1ccccc13)CCC2,0,0.0,
+N#Cc1c2c(c(NCCCN3CCOCC3)n3c1nc1ccccc13)CCC2,0,0.0,
+N#Cc1c2c(c(NCCN3CCOCC3)n3c1nc1ccccc13)CCCC2,0,0.0,
+N#Cc1c2c(c(NCc3ccco3)n3c1nc1ccccc13)CCC2,0,0.0,
+N#Cc1c2c(nc(N)c1-c1ccccc1)CCCCC2,0,0.0,
+N#Cc1c2n(c(=O)[nH]c1=O)CCCCC2,0,0.0,
+N#Cc1c2n(c(=S)n(-c3ccccn3)c1=O)CCCCC2,0,0.0,
+N#Cc1c2n(c3c(-c4ccccc4)ncnc13)CCC2,0,0.0,
+N#Cc1c2n(c3c(=O)[nH]cnc13)CCCC2,0,0.0,
+N#Cc1c2n(c3c(=O)n(CC(=O)c4ccc(Br)cc4)cnc13)CCCC2,0,0.0,
+N#Cc1c2n(c3c(=O)n(Cc4ccc(Cl)cc4)cnc13)CCCC2,0,0.0,
+N#Cc1c2n(c3c(=O)n(Cc4ccc(Cl)cc4)cnc13)CCCCC2,0,0.0,
+N#Cc1c2n(c3c(=O)n(Cc4ccccc4)cnc13)CCCC2,0,0.0,
+N#Cc1c2n(c3c(=O)n(Cc4ccccc4Cl)cnc13)CCCC2,0,0.0,
+N#Cc1c2n(c3c(=O)n(Cc4ccccc4Cl)cnc13)CCCCC2,0,0.0,
+N#Cc1c2n(cnc1=O)CCCCC2,0,0.0,
+N#Cc1c2ncn(CC(=O)c3ccc(Br)cc3)c(=O)c2c2n1CCC2,0,0.0,
+N#Cc1c[nH]n2c(=O)cc(Cc3ccccc3)nc12,0,0.0,
+N#Cc1cc(-c2ccccc2)nn1-c1ccccc1,0,0.0,
+N#Cc1cc(-c2ccccc2)oc1NC(=O)c1ccco1,0,0.0,
+N#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(C2CC2)c1=O,0,0.0,
+N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(CC2CCCO2)c1=O,0,0.0,
+N#Cc1cc(Cl)c(N2CCOCC2)cc1C#N,0,0.0,
+N#Cc1cc(N)c(Nc2ccccc2)cc1C#N,0,0.0,
+N#Cc1cc(Oc2cccc3cccnc23)c(-n2nnc3ccccc32)cc1C#N,0,0.0,
+N#Cc1cc(Sc2ccccn2)c(Sc2ccccn2)cc1C#N,0,0.0,
+N#Cc1cc2c(=O)n3ccccc3nc2n(CCCn2ccnc2)c1=N,0,0.0,
+N#Cc1cc2c(=O)n3ccccc3nc2n(CCN2CCOCC2)c1=O,0,0.0,
+N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N,0,0.0,
+N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=O,0,0.0,
+N#Cc1cc2c([nH]c1=S)CCCCCC2,0,0.0,
+N#Cc1cc2c(nc1SCC(=O)N1CCCCC1)CCCC2,0,0.0,
+N#Cc1cc2c(nc1SCC(=O)N1CCCCC1)CCCCC2,0,0.0,
+N#Cc1cc2c(nc1SCC(=O)NCc1ccc3c(c1)OCO3)CCCCC2,0,0.0,
+N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Cl)cc1)C1CCN2CC1,0,0.0,
+N#Cc1cc2c(nc1SCC(=O)Nc1nccs1)CCCCC2,0,0.0,
+N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCCCC2,0,0.0,
+N#Cc1cc2c(nc1SCC(O)CS(=O)(=O)Cc1ccccc1)CCCC2,0,0.0,
+N#Cc1cc2c(nc1SCC1COc3ccccc3O1)CCC2,0,0.0,
+N#Cc1cc2c(nc1SCc1ccccc1)CCCC2=O,0,0.0,
+N#Cc1cc2c(nc1SCc1cccnc1)CCC2,0,0.0,
+N#Cc1cc2c(nc1SCc1cccnc1)CCCC2,0,0.0,
+N#Cc1cc2c(nc1SCc1cccnc1)CCCCC2,0,0.0,
+N#Cc1cc2c(nc1SCc1ccncc1)CCC2,0,0.0,
+N#Cc1cc2c(nc1SCc1nc3ccccc3[nH]1)CCC2,0,0.0,
+N#Cc1cc2cc3c(cc2nc1N1CCCCC1)OCCO3,0,0.0,
+N#Cc1cc2cc3c(cc2nc1N1CCOCC1)OCO3,0,0.0,
+N#Cc1cc2cc3c(cc2nc1SCC(=O)OC1CCCCC1)OCO3,0,0.0,
+N#Cc1cc2ccc(N3CCOCC3)cc2cc1C#N,0,0.0,
+N#Cc1cc2ccccc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+N#Cc1cc2ccccc2nc1SCC(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+N#Cc1cc2ccccc2nc1SCc1ccccn1,0,0.0,
+N#Cc1cc2ccccc2nc1SCc1cccnc1,0,0.0,
+N#Cc1cc2sc3nc4ccccc4n3c2cc1C#N,0,0.0,
+N#Cc1cc2sc3nnc(-c4ccncc4)n3c2cc1C#N,0,0.0,
+N#Cc1ccc(-c2ccc(OCC(O)Cn3nnc4ccccc43)cc2)cc1,0,0.0,
+N#Cc1ccc(-c2cccnc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2,0,0.0,
+N#Cc1ccc(-c2ccco2)nc1SCC(=O)c1ccc(Cl)cc1,0,0.0,
+N#Cc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1,0,0.0,
+N#Cc1ccc(-c2nnnn2-c2ccc3c(c2)OCO3)cc1,0,0.0,
+N#Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCCCCC2)cc1,0,0.0,
+N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O,0,0.0,
+N#Cc1ccc(COC(=O)CSc2nnc(C3CCCCC3)n2N)cc1,0,0.0,
+N#Cc1ccc(COC(=O)Cn2nnc(-c3ccccc3)n2)cc1,0,0.0,
+N#Cc1ccc(COC(=O)c2ccc3c(=O)[nH]c(CN4CCOCC4)nc3c2)cc1,0,0.0,
+N#Cc1ccc(COc2ccc(CCO)cc2-n2nc3ccccc3n2)cc1,0,0.0,
+N#Cc1ccc(CSCC(=O)O)cc1,0,0.0,
+N#Cc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1,0,0.0,
+N#Cc1ccc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1,0,0.0,
+N#Cc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1,0,0.0,
+N#Cc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1,0,0.0,
+N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1,0,0.0,
+N#Cc1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1,0,0.0,
+N#Cc1ccc(CSc2nnc(-c3ccncc3)n2CCc2ccccc2)cc1,0,0.0,
+N#Cc1ccc(CSc2nnc(-c3cnccn3)o2)cc1,0,0.0,
+N#Cc1ccc(CSc2nnc(Cc3cccs3)n2Cc2ccco2)cc1,0,0.0,
+N#Cc1ccc(CSc2nnc(NC(=O)C3CCCO3)s2)cc1,0,0.0,
+N#Cc1ccc(CSc2nnc(NC(=O)CN3C(=O)C4CC=CCC4C3=O)s2)cc1,0,0.0,
+N#Cc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1,0,0.0,
+N#Cc1ccc(Cn2c(=O)c(C#N)c3n(c2=O)CCC3)cc1,0,0.0,
+N#Cc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(F)c1,0,0.0,
+N#Cc1ccc(N2CCNCC2)c(F)c1,0,0.0,
+N#Cc1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1,0,0.0,
+N#Cc1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)cc1,0,0.0,
+N#Cc1ccc(NC(=O)COC(=O)C2=COCCO2)cc1,0,0.0,
+N#Cc1ccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[nH]3)CC2)cc1,0,0.0,
+N#Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,0,0.0,
+N#Cc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc1,0,0.0,
+N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1,0,0.0,
+N#Cc1ccc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,0,0.0,
+N#Cc1ccc(OCCN2C(=O)NC3(CCSC3)C2=O)cc1,0,0.0,
+N#Cc1ccc(OCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2ccccc2)cc1,0,0.0,
+N#Cc1ccc(Oc2ccc(C(N)=O)cc2)cc1C#N,0,0.0,
+N#Cc1ccc(Oc2cccc(C(=O)O)c2)cc1C#N,0,0.0,
+N#Cc1ccc(Oc2cccnc2)cc1C#N,0,0.0,
+N#Cc1ccc(Sc2nc3ccccc3[nH]2)cc1C#N,0,0.0,
+N#Cc1ccc2ccn(CC(=O)N3CCCc4ccccc43)c2c1,0,0.0,
+N#Cc1ccc2ccn(CC(=O)NC3CCCCC3)c2c1,0,0.0,
+N#Cc1ccc2ccn(CC(=O)NC3CCCCCC3)c2c1,0,0.0,
+N#Cc1ccc2ccn(CC(=O)NCc3ccccc3)c2c1,0,0.0,
+N#Cc1cccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)c1,0,0.0,
+N#Cc1cccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c1C#N,0,0.0,
+N#Cc1cccc(-n2nnnc2-c2ccc3c(c2)OCO3)c1,0,0.0,
+N#Cc1cccc(-n2nnnc2-c2ccccn2)c1,0,0.0,
+N#Cc1cccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)c1,0,0.0,
+N#Cc1cccc(C(c2nnnn2Cc2ccccc2)N2CCCC2)c1,0,0.0,
+N#Cc1cccc(CSc2nnc(CCCO)n2-c2ccccc2)c1,0,0.0,
+N#Cc1cccc(Cn2nnc(-c3ccccc3)n2)c1,0,0.0,
+N#Cc1cccc(NC(=O)CC2CCCCC2)c1,0,0.0,
+N#Cc1cccc(NC(=O)CCC2CCCC2)c1,0,0.0,
+N#Cc1cccc(NC(=O)COc2ccc(-n3ccnc3)cc2)c1,0,0.0,
+N#Cc1cccc(NC(=O)CSc2ccccc2)c1,0,0.0,
+N#Cc1cccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[nH]3)CC2)c1,0,0.0,
+N#Cc1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1,0,0.0,
+N#Cc1cccc(NC(=O)Nc2cccs2)c1,0,0.0,
+N#Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1,0,0.0,
+N#Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1,0,0.0,
+N#Cc1cccc2cnccc12,0,0.0,
+N#Cc1ccccc1-n1c(N)c(C(=O)N2CCCC2)sc1=S,0,0.0,
+N#Cc1ccccc1CSc1ccccn1,0,0.0,
+N#Cc1ccccc1CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1,0,0.0,
+N#Cc1ccccc1CSc1nc(O)cc(=O)[nH]1,0,0.0,
+N#Cc1ccccc1CSc1nc2ncc(Br)cc2[nH]1,0,0.0,
+N#Cc1ccccc1Cn1c(-c2cscn2)nc2ccccc21,0,0.0,
+N#Cc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)NCc3ccco3)cc2)c(=O)c2sccc21,0,0.0,
+N#Cc1ccccc1Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2ccccc21,0,0.0,
+N#Cc1ccccc1Cn1c(=O)n(CCCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21,0,0.0,
+N#Cc1ccccc1Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2ccccc21,0,0.0,
+N#Cc1ccccc1Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2sccc21,0,0.0,
+N#Cc1ccccc1Cn1cc(C(=O)C2CC2)c2ccccc21,0,0.0,
+N#Cc1ccccc1Cn1cc(C(=O)c2ccco2)c2ccccc21,0,0.0,
+N#Cc1ccccc1Cn1cc(C(=O)c2cccs2)c2ccccc21,0,0.0,
+N#Cc1ccccc1N=C1CCCN1Cc1ccccc1,0,0.0,
+N#Cc1ccccc1NC(=O)COC(=O)CSc1nc2ccccc2o1,0,0.0,
+N#Cc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+N#Cc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+N#Cc1ccccc1NC(=O)CSc1nccn1CCc1ccccc1,0,0.0,
+N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1,0,0.0,
+N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccccc1,0,0.0,
+N#Cc1ccccc1NC(=O)Nc1cccc(Cl)c1,0,0.0,
+N#Cc1ccccc1NC(=O)Nc1cccs1,0,0.0,
+N#Cc1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1,0,0.0,
+N#Cc1ccccc1NC(=O)c1ccccc1OCC(=O)NCc1ccco1,0,0.0,
+N#Cc1ccccc1NC(=O)c1ccccc1OCC(=O)Nc1ccc2c(c1)oc1ccccc12,0,0.0,
+N#Cc1ccccc1NC1=CC(=O)CCC1,0,0.0,
+N#Cc1ccccc1NCc1ccccc1,0,0.0,
+N#Cc1ccccc1OCC(=O)Nc1c(C(=O)C2CC2)oc2ccccc12,0,0.0,
+N#Cc1ccccc1OCCN1C(=O)c2ccccc2C1=O,0,0.0,
+N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1,0,0.0,
+N#Cc1ccccc1Sc1ccccc1C(=O)N1CCOCC1,0,0.0,
+N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+N#Cc1ccccc1Sc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1,0,0.0,
+N#Cc1ccsc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1,0,0.0,
+N#Cc1ccsc1NC(=O)COc1ccc(-c2nnco2)cc1,0,0.0,
+N#Cc1ccsc1NC(=O)CSc1ncn[nH]1,0,0.0,
+N#Cc1ccsc1NC(=O)c1ccccn1,0,0.0,
+N#Cc1ccsc1NC(=O)c1cnccn1,0,0.0,
+N#Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O,0,0.0,
+N#Cc1cn(-c2ccccc2)nc1-c1ccccc1,0,0.0,
+N#Cc1cn(CC(=O)N2CCCC2)c2ccccc12,0,0.0,
+N#Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12,0,0.0,
+N#Cc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc12,0,0.0,
+N#Cc1cn(CC(=O)NCc2cccnc2)c2ccccc12,0,0.0,
+N#Cc1cn(CC(=O)O)c2ccccc12,0,0.0,
+N#Cc1cn(CCOc2ccccc2F)c2ccccc12,0,0.0,
+N#Cc1cn(Cc2cccc(Cl)c2)c2ccccc12,0,0.0,
+N#Cc1cn(Cc2ccccc2)c2ccccc12,1,100.0,0.0
+N#Cc1cnc(Nc2nc3ccccc3o2)nc1-c1ccccc1,0,0.0,
+N#Cc1cnc(SCC(=O)Nc2ccccc2C(F)(F)F)nc1N,0,0.0,
+N#Cc1cnc(SCC(=O)c2ccccc2)nc1N,0,0.0,
+N#Cc1cnc(SCCc2ccccc2)nc1N,0,0.0,
+N#Cc1cnc2sc3ccccc3n2c1=N,0,0.0,
+N#Cc1cnn(-c2ccccc2)c1N,0,0.0,
+N#Cc1cnn(-c2nc(SCc3ccccc3)nc3sc4c(c23)CCCC4)c1N,0,0.0,
+N#Cc1cnn(CC2CCCCC2)c1N,0,0.0,
+N#Cc1cnn(Cc2ccc(Cl)cc2)c1N,0,0.0,
+N#Cc1cnn(Cc2ccccc2)c1/N=C/N1CCOCC1,0,0.0,
+N#Cc1cnn(Cc2ccccc2)c1N,0,0.0,
+N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCCCC1,0,0.0,
+N#Cc1nc(-c2ccc(Cl)cc2)oc1NCCc1ccccn1,0,0.0,
+N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1cccc2c1OCO2,0,0.0,
+N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1,0,0.0,
+N#Cc1nc(-c2ccc(F)cc2)oc1N1CCCC1,0,0.0,
+N#Cc1nc(-c2ccc(F)cc2)oc1NCCN1CCOCC1,0,0.0,
+N#Cc1nc(-c2ccc(F)cc2)oc1NCc1cccc2c1OCO2,0,0.0,
+N#Cc1nc(-c2ccc(F)cc2)oc1NCc1ccccc1,0,0.0,
+N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCC(C(N)=O)CC1,0,0.0,
+N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCOCC1,0,0.0,
+N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCCCn1ccnc1,0,0.0,
+N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCc1cccnc1,0,0.0,
+N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCC(C(N)=O)CC1,0,0.0,
+N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCOCC1,0,0.0,
+N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCCCN1CCOCC1,0,0.0,
+N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCCCn1ccnc1,0,0.0,
+N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCCN1CCOCC1,0,0.0,
+N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCc1cccnc1,0,0.0,
+N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCc1ccco1,0,0.0,
+N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCCn1ccnc1,0,0.0,
+N#Cc1nc(-c2cccc3ccccc23)oc1N1CCCCC1,0,0.0,
+N#Cc1nc(-c2cccc3ccccc23)oc1NCCN1CCOCC1,0,0.0,
+N#Cc1nc(-c2ccccc2)oc1N1CCCCC1,0,0.0,
+N#Cc1nc(-c2ccccc2)oc1NCCN1CCCCC1,0,0.0,
+N#Cc1nc(-c2ccccc2Cl)oc1N1CCCCC1,0,0.0,
+N#Cc1nc(-c2ccccc2Cl)oc1N1CCOCC1,0,0.0,
+N#Cc1nc(-c2ccccc2Cl)oc1NCC1CCCO1,0,0.0,
+N#Cc1nc(-c2ccccc2Cl)oc1NCc1ccco1,0,0.0,
+N#Cc1nc(-c2ccccc2F)oc1N1CCCC1,0,0.0,
+N#Cc1nc(-c2ccccc2F)oc1NC1CCCCC1,0,0.0,
+N#Cc1nc(-c2ccccc2F)oc1NCCN1CCOCC1,0,0.0,
+N#Cc1nc(-c2ccccc2F)oc1NCCc1ccccn1,0,0.0,
+N#Cc1nc(-c2ccccc2F)oc1NCc1cccc2c1OCO2,0,0.0,
+N#Cc1nc(-c2ccccc2F)oc1NCc1ccccc1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1N1CCC(C(N)=O)CC1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1N1CCCC1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccccc2)CC1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1N1CCN(c2ccccc2)CC1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1N1CCOCC1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1N1CCc2ccccc2C1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1NCCCN1CCOCC1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1NCCCn1ccnc1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1NCCN1CCOCC1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1NCCc1ccccc1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1NCc1ccc(F)cc1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1NCc1cccnc1,0,0.0,
+N#Cc1nc(-c2ccco2)oc1NCc1ccco1,0,0.0,
+N#Cc1nc(-c2cccs2)oc1N1CCN(Cc2ccccc2)CC1,0,0.0,
+N#Cc1nc(-c2cccs2)oc1N1CCN(c2ccccc2)CC1,0,0.0,
+N#Cc1nc(-c2cccs2)oc1N1CCOCC1,0,0.0,
+N#Cc1nc(-c2cccs2)oc1NCC1CCCO1,0,0.0,
+N#Cc1nc(-c2cccs2)oc1NCCCN1CCOCC1,0,0.0,
+N#Cc1nc(-c2cccs2)oc1NCCN1CCOCC1,0,0.0,
+N#Cc1nc(-c2cccs2)oc1NCCc1ccccc1,0,0.0,
+N#Cc1nc(-c2cccs2)oc1NCc1ccc(Cl)cc1,0,0.0,
+N#Cc1nc(-c2cccs2)oc1NCc1ccc2c(c1)OCO2,0,0.0,
+N#Cc1nc(-c2cccs2)oc1NCc1ccccc1,0,0.0,
+N#Cc1nc(-c2cccs2)oc1NCc1ccccc1Cl,0,0.0,
+N#Cc1nc(-c2cccs2)oc1NCc1ccco1,0,0.0,
+N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCCCN1CCOCC1,1,100.0,0.0
+N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCc1cccnc1,0,0.0,
+N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCC1,0,0.0,
+N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCCCC1,0,0.0,
+N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCN(Cc2ccccc2)CC1,0,0.0,
+N#Cc1nc(COc2ccc(Br)cc2)oc1NCCCn1ccnc1,0,0.0,
+N#Cc1nc(COc2ccc(Br)cc2)oc1NCCN1CCOCC1,0,0.0,
+N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCC1,0,0.0,
+N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCCCC1,0,0.0,
+N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCN(Cc2ccccc2)CC1,0,0.0,
+N#Cc1nc(COc2ccc(Cl)cc2)oc1NCc1ccc2c(c1)OCO2,0,0.0,
+N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1N1CCN(c2ccccc2)CC1,0,0.0,
+N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1N1CCOCC1,0,0.0,
+N#Cc1nc(COc2ccc(F)cc2)oc1N1CCC(Cc2ccccc2)CC1,0,0.0,
+N#Cc1nc(COc2ccc(F)cc2)oc1N1CCCC1,0,0.0,
+N#Cc1nc(COc2ccc(F)cc2)oc1N1CCN(Cc2ccccc2)CC1,0,0.0,
+N#Cc1nc(COc2ccc(F)cc2)oc1NCCCn1ccnc1,0,0.0,
+N#Cc1nc(COc2ccc(F)cc2)oc1NCCN1CCOCC1,0,0.0,
+N#Cc1nc(COc2cccc(Cl)c2)oc1N1CCCC1,0,0.0,
+N#Cc1nc(COc2cccc(Cl)c2)oc1N1CCN(c2ccccc2)CC1,0,0.0,
+N#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccco1,0,0.0,
+N#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccncc1,0,0.0,
+N#Cc1nc(COc2ccccc2)oc1N1CCC(Cc2ccccc2)CC1,0,0.0,
+N#Cc1nc(COc2ccccc2)oc1N1CCCC1,0,0.0,
+N#Cc1nc(COc2ccccc2)oc1N1CCCCC1,0,0.0,
+N#Cc1nc(COc2ccccc2)oc1N1CCN(Cc2ccccc2)CC1,0,0.0,
+N#Cc1nc(COc2ccccc2)oc1N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+N#Cc1nc(COc2ccccc2)oc1N1CCOCC1,0,0.0,
+N#Cc1nc(COc2ccccc2)oc1NCCCn1ccnc1,1,100.0,
+N#Cc1nc(COc2ccccc2)oc1NCCN1CCOCC1,0,0.0,
+N#Cc1nc(COc2ccccc2Cl)oc1N1CCCCCC1,0,0.0,
+N#Cc1nc(COc2ccccc2Cl)oc1NCc1ccc(F)cc1,0,0.0,
+N#Cc1nc(COc2ccccc2F)oc1N1CCCCCC1,1,100.0,0.0
+N#Cc1nc(COc2ccccc2F)oc1NCCCn1ccnc1,0,0.0,
+N#Cc1nc(COc2ccccc2F)oc1NCCc1ccccc1,0,0.0,
+N#Cc1nc(COc2ccccc2F)oc1NCc1ccc(F)cc1,0,0.0,
+N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCC(C(N)=O)CC1,0,0.0,
+N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCCCC1,0,0.0,
+N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCOCC1,0,0.0,
+N#Cc1nc(Cc2cccc3ccccc23)oc1NCC1CCCO1,0,0.0,
+N#Cc1nc(Cc2cccc3ccccc23)oc1NCCCN1CCOCC1,0,0.0,
+N#Cc1nc(Cc2cccc3ccccc23)oc1NCCCn1ccnc1,0,0.0,
+N#Cc1nc(Cc2cccc3ccccc23)oc1NCCN1CCCCC1,0,0.0,
+N#Cc1nc(Cc2cccc3ccccc23)oc1NCc1ccc(F)cc1,0,0.0,
+N#Cc1nc(Cc2cccc3ccccc23)oc1NCc1ccc2c(c1)OCO2,0,0.0,
+N#Cc1nc(Cc2cccc3ccccc23)oc1NCc1ccco1,0,0.0,
+N#Cc1nc(Cc2ccccc2)oc1N1CCC(C(N)=O)CC1,0,0.0,
+N#Cc1nc(Cc2ccccc2)oc1N1CCC(Cc2ccccc2)CC1,0,0.0,
+N#Cc1nc(Cc2ccccc2)oc1N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+N#Cc1nc(Cc2ccccc2)oc1N1CCN(c2ccccc2)CC1,0,0.0,
+N#Cc1nc(Cc2ccccc2)oc1NCCCn1ccnc1,0,0.0,
+N#Cc1nc(Cc2ccccc2)oc1NCCN1CCOCC1,0,0.0,
+N#Cc1nc(Cc2ccccc2)oc1NCCc1ccccc1,0,0.0,
+N#Cc1nc(Cc2ccccc2)oc1NCc1ccccc1Cl,0,0.0,
+N#Cc1nc(Cc2ccccc2)oc1NCc1cccnc1,0,0.0,
+N#Cc1nc(N)nc(N(c2ccccc2)c2ccccc2)n1,0,0.0,
+N#Cc1nc(N2CCCC2)nc(N2CCCC2)n1,0,0.0,
+N#Cc1nc(N2CCCCC2)nc(N2CCOCC2)n1,0,0.0,
+N#Cc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+N#Cc1nn(-c2ccccc2)nc1N1CCCCC1,0,0.0,
+N#Cc1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N,0,0.0,
+N#Cc1sc2nc3c(c(-c4cccnc4)c2c1N)CCC3,0,0.0,
+N#Cc1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3,0,0.0,
+N/C(=N/O)c1nc(N2CCCC2)nc(N(c2ccccc2)c2ccccc2)n1,0,0.0,
+N/C(=N/O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1,0,0.0,
+N/C(=N\O)C(Cc1cccs1)C(=O)Nc1ccccc1,0,0.0,
+N/C(=N\O)C1COc2ccccc2O1,0,0.0,
+N/C(=N\O)c1c(N)no[n+]1[O-],0,0.0,
+N/C(=N\O)c1ccc(NC(=O)c2ccc(Br)o2)cc1,0,0.0,
+N/C(=N\O)c1ccc(NC(=O)c2cccs2)cc1,0,0.0,
+N/C(=N\S(=O)(=O)c1ccc(Cl)s1)c1ccccc1,0,0.0,
+N/C(=N\S(=O)(=O)c1cccs1)c1ccccc1,0,0.0,
+N/C(=N\c1nc2c(c(=O)[nH]1)CCCC2)Nc1ccccc1,0,0.0,
+N/C(=N\c1nc2ccccc2o1)NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+N/C(=N\c1nc2ccccc2o1)NC(=O)c1ccccc1NC(=O)c1ccccc1,0,0.0,
+N/C(CC(=O)NCCOc1ccccc1)=N\O,0,0.0,
+N/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N/O,0,0.0,
+N/C(CCCN1CCCCC1)=N/O,0,0.0,
+N/C(CCN1CCCCC1)=N/O,0,0.0,
+N/C(CCN1CCOCC1)=N/O,0,0.0,
+N/C(CN1CCCC1=O)=N\O,0,0.0,
+N/C(COc1ccc(C(=O)O)cc1)=N\O,0,0.0,
+N/C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)=N\O,0,0.0,
+N/C(Cn1nnc(-c2ccccc2)n1)=N\O,0,0.0,
+N=C(N)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O,0,0.0,
+N=C1C(c2ccc(Br)cc2)=C(O)C2CCc3ccccc3N12,0,0.0,
+N=C1C(c2ccccc2)=C(O)C2CCc3ccccc3N12,0,0.0,
+N=C1C(c2ccccc2)=C(O)CN1Cc1ccco1,0,0.0,
+N=C1C(c2ccccc2)=C(O)CN1c1ccc2c(c1)OCO2,0,0.0,
+N=C1C(c2ccccc2)=C(O)CN1c1ccccc1N1CCOCC1,0,0.0,
+N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1CCCN1CCOCC1,0,0.0,
+N=C1C(c2nc(-c3ccc(F)cc3)cs2)=C(O)CN1CCCN1CCOCC1,0,0.0,
+N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1c1ccccc1,0,0.0,
+N=C1C(c2nc3ccccc3c(=O)[nH]2)=C(O)CN1CCO,0,0.0,
+N=C1C(c2nc3ccccc3c(=O)[nH]2)=C(O)CN1CCc1ccccc1,0,0.0,
+N=C1C(c2nc3ccccc3s2)=C(O)CN1CCCO,0,0.0,
+N=C1C(c2nc3ccccc3s2)=C(O)CN1Cc1ccco1,0,0.0,
+N=C1C=CC=C2C1=NC1(CCCCC1)N2O,0,0.0,
+N=Cc1c(O)n(-c2cccc(Cl)c2)c(=O)[nH]c1=O,0,0.0,
+N=P(N1CCOCC1)(N1CCOCC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1C1CCCC1,0,0.0,
+N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1,0,0.0,
+N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1,0,0.0,
+N=c1c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1,0,0.0,
+N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CC1CCCO1,0,0.0,
+N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CCCN1CCOCC1,0,0.0,
+N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1,0,0.0,
+N=c1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1,0,0.0,
+N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1CCCN1CCOCC1,0,0.0,
+N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1,0,0.0,
+N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1,0,0.0,
+N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1,1,100.0,1.0
+N=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1,0,0.0,
+N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1CC1CCCO1,0,0.0,
+N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1,0,0.0,
+N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1,0,0.0,
+N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1CCCn1ccnc1,0,0.0,
+N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCN1CCOCC1,1,100.0,1.0
+N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1Cc1ccco1,0,0.0,
+N=c1c2c(n(Cc3ccc(Cl)c(Cl)c3)c3c1CCC3)CCCC2,1,100.0,1.0
+N=c1c2c(n(Cc3ccc(Cl)cc3)c3c1CCC3)CCC2,0,0.0,
+N=c1c2c(n(Cc3ccc(Cl)cc3Cl)c3c1CCC3)CCCC2,0,0.0,
+N=c1c2c(n(Cc3ccc(F)cc3)c3c1CCC3)CCC2,0,0.0,
+N=c1c2c(n(Cc3ccccc3)c3c1CCC3)CCC2,0,0.0,
+N=c1c2c3c(sc2nc2n1CCC2)CCCC3,1,100.0,0.0
+N=c1c2c3c(sc2nc2n1CCCCC2)CCCCC3,1,100.0,1.0
+N=c1c2c3c(sc2ncn1CCCN1CCOCC1)CCCCC3,0,0.0,
+N=c1c2c3c(sc2ncn1CCN1CCOCC1)CCCC3,0,0.0,
+N=c1c2c3c(sc2ncn1CCN1CCOCC1)CCCCC3,0,0.0,
+N=c1c2c3c(sc2ncn1N)CCCCC3,0,0.0,
+N=c1c[n+](-c2ccc(Cl)cc2)[n-]o1,0,0.0,
+N=c1c[n+](CC23CC4CC(CC(C4)C2)C3)[n-]o1,0,0.0,
+N=c1c[n+](N2CCOCC2)[n-]o1,0,0.0,
+N=c1cc(C2(O)CCCCC2)n2c(nc3ccccc32)s1,0,0.0,
+N=c1ccccn1CC(O)COc1ccccc1,0,0.0,
+N=c1ccn(Cc2ccc(Cl)c(Cl)c2)cc1,0,0.0,
+N=c1ccn(Cc2ccc(Cl)cc2)cc1,0,0.0,
+N=c1ccn(Cc2cccc(Cl)c2)cc1,0,0.0,
+N=c1n(-c2ccccc2)c(O)cc(=O)n1-c1ccccc1,0,0.0,
+N=c1n(CC(=O)O)c2ccccc2n1Cc1ccccc1Cl,0,0.0,
+N=c1n(CCN2CCCC2)c2ccccc2n1CC(O)c1ccco1,0,0.0,
+N=c1n(CCN2CCCCC2)c2ccccc2n1CC(O)COc1ccccc1,0,0.0,
+N=c1n(CCN2CCCCC2)c2ccccc2n1CC(O)c1cccc(Br)c1,1,100.0,0.0
+N=c1n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(Cl)c(Cl)c1,0,0.0,
+N=c1n(CCN2CCOCC2)c2ccccc2n1CC(O)COc1ccccc1,0,0.0,
+N=c1n(CCN2CCOCC2)c2ccccc2n1Cc1ccccc1Br,0,0.0,
+N=c1n(CCO)c2ccccc2n1CCOc1ccc(Cl)cc1Cl,0,0.0,
+N=c1n(CCO)c2ccccc2n1CCOc1ccccc1,0,0.0,
+N=c1n(CCO)c2ccccc2n1Cc1ccc(Cl)cc1,0,0.0,
+N=c1n(CCO)c2ccccc2n1Cc1ccccc1,0,0.0,
+N=c1n(CCO)c2ccccc2n1Cc1ccccc1Cl,0,0.0,
+N=c1n(CCOc2ccccc2)c2ccccc2n1CCN1CCOCC1,0,0.0,
+N=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1CC(O)c1ccco1,0,0.0,
+N=c1n(Cc2ccccc2)c2ccccc2n1CC(O)COc1ccccc1,0,0.0,
+N=c1n(Cc2ccccc2)c2ccccc2n1CC(O)c1ccccc1,0,0.0,
+N=c1n(Cc2ccccc2)c2ccccc2n1CC(O)c1ccco1,0,0.0,
+N=c1nc(-c2ccccc2)ccn1O,0,0.0,
+N=c1nc(N)nc2n1NC(c1ccc(F)cc1)=CS2,0,0.0,
+N=c1nc(N2CCCCC2)cc(N)n1O,0,0.0,
+N=c1nc(SCCC(=O)O)ss1,0,0.0,
+N=c1ncn(CC(O)CN2CCOCC2)c2nc(N3CCOCC3)[nH]c12,0,0.0,
+N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccccc1)CCCN4CCC3,1,100.0,
+N=c1oc2ccc3ccccc3c2cc1-c1nnc2n1CCCCC2,0,0.0,
+N=c1oc2ccccc2cc1-c1nc2ccccc2c(=O)[nH]1,0,0.0,
+N=c1sc2c(n1Cc1ccccc1)CCCC2,0,0.0,
+N=c1sc2ccccc2n1-c1ccccc1,0,0.0,
+N=c1sccn1CC(=O)NCCc1ccc(Cl)cc1,1,100.0,1.0
+N=c1sccn1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+N=c1sccn1CC(=O)Nc1ccc2c(c1)CCC2,0,0.0,
+N=c1sccn1CC(=O)Nc1cccc(Oc2ccccc2)c1,1,100.0,1.0
+N=c1sccn1CC(=O)Nc1ccccc1-c1ccccc1,0,0.0,
+N=c1sccn1CC(=O)Nc1ccccc1Cc1ccccc1,0,0.0,
+NC(=NC(=O)c1ccccc1)C1=C(O)CCC1=O,0,0.0,
+NC(=O)/C(=N\O)c1ccccc1,0,0.0,
+NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1,0,0.0,
+NC(=O)C(F)(F)C12OC3C4C5CC(C6C5C3C61)C42,0,0.0,
+NC(=O)C(c1ccccc1)C1CCCC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(C(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)CC1,1,100.0,0.0
+NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc3ccccc3o2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc3ccccc3s2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(C(=O)NC2CCCCC2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(C#Cc3ccccc3)o2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccccc2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccs2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(C2CC(=O)N(Cc3cccs3)C2=O)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2Cl)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1,0,0.0,
+NC(=O)C1(N2CCCCC2)CCN(c2nc(-c3ccccc3)cs2)CC1,0,0.0,
+NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1,0,0.0,
+NC(=O)C1(c2ccccc2)CCOCC1,0,0.0,
+NC(=O)C1C(c2ccccc2)=C1c1ccccc1,0,0.0,
+NC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)C(=Nc2ccccc2)S1,0,0.0,
+NC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1,0,0.0,
+NC(=O)C1CC(O)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12,0,0.0,
+NC(=O)C1CC=CCC1C(=O)OCC(Cl)=C(Cl)Cl,0,0.0,
+NC(=O)C1CCC(NC(=O)OCc2ccccc2)CC1,0,0.0,
+NC(=O)C1CCCN(C(=O)NC2CCCCC2)C1,0,0.0,
+NC(=O)C1CCCN(C(=O)Nc2cccc3ccccc23)C1,0,0.0,
+NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1,0,0.0,
+NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1,0,0.0,
+NC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1,0,0.0,
+NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1,0,0.0,
+NC(=O)C1CCCNC1,0,0.0,
+NC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)CCCCCn2c(=O)[nH]c3ccsc3c2=O)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)CN2CCCc3ccccc32)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)CN2CCc3ccccc32)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)CSCc2ccccc2Cl)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)CSc2ccccn2)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)CSc2nc3c(c(-c4ccccc4)n2)CCCC3)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)c2cc3ccccn3n2)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1,0,0.0,
+NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)CC1,0,0.0,
+NC(=O)C1CCN(C(=S)c2cccs2)CC1,0,0.0,
+NC(=O)C1CCN(C(c2ccccc2Cl)c2nnnn2CC2CCCO2)CC1,0,0.0,
+NC(=O)C1CCN(C(c2ccccc2Cl)c2nnnn2Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+NC(=O)C1CCN(C(c2ccccc2F)c2nnnn2Cc2ccco2)CC1,0,0.0,
+NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,0,0.0,
+NC(=O)C1CCN(C2OC(=O)c3ccccc32)CC1,0,0.0,
+NC(=O)C1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1,0,0.0,
+NC(=O)C1CCN(CC(=O)Nc2ccccn2)CC1,0,0.0,
+NC(=O)C1CCN(CC(=O)c2c[nH]c3ccc(F)cc23)CC1,0,0.0,
+NC(=O)C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1,0,0.0,
+NC(=O)C1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1,0,0.0,
+NC(=O)C1CCN(CCCNC2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1,0,0.0,
+NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1,0,0.0,
+NC(=O)C1CCN(Cc2nnnn2Cc2ccco2)CC1,0,0.0,
+NC(=O)C1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1,0,0.0,
+NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1,0,0.0,
+NC(=O)C1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1,0,0.0,
+NC(=O)C1CCN(c2nc(C3CC3)nc3c2nnn3Cc2ccccc2)CC1,0,0.0,
+NC(=O)C1CCN(c2nc(C3CC3)nc3c2nnn3Cc2ccccc2Cl)CC1,0,0.0,
+NC(=O)C1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1,0,0.0,
+NC(=O)C1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1,0,0.0,
+NC(=O)C1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+NC(=O)CC(NC(=O)OCc1ccccc1)C(=O)O,0,0.0,
+NC(=O)CC(O)c1cccc(Cl)c1,0,0.0,
+NC(=O)CC1(CC(=O)O)CCCCC1,0,0.0,
+NC(=O)CC12CC3CC(C1)CC(CC(N)=O)(C3)C2,0,0.0,
+NC(=O)CC1NC(=O)c2ccccc21,0,0.0,
+NC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1,0,0.0,
+NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1,0,0.0,
+NC(=O)CCS(=O)(=O)CCN1CCCCC1,0,0.0,
+NC(=O)CCS(=O)(=O)c1ccccc1,0,0.0,
+NC(=O)CCc1c[nH]c2ccccc12,0,0.0,
+NC(=O)CCn1c(=O)oc2ccccc21,0,0.0,
+NC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O,0,0.0,
+NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O,0,0.0,
+NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1,0,0.0,
+NC(=O)CN(c1ccccc1)C1SC(=O)N(Cc2ccccc2)C1=O,0,0.0,
+NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccc2O)c2ccccc21,0,0.0,
+NC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+NC(=O)CN1C(=O)C2CCCCN2C(=O)c2ccccc21,0,0.0,
+NC(=O)CN1C2CCC1CC(NC(=O)C1CC1)C2,0,0.0,
+NC(=O)CN1CC(c2ccccc2)CC1=O,0,0.0,
+NC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1,0,0.0,
+NC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1,0,0.0,
+NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1,0,0.0,
+NC(=O)CN1CCN(c2ccccc2F)CC1,0,0.0,
+NC(=O)CN1CCOCCN(CC(N)=O)CCOCC1,0,0.0,
+NC(=O)CNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21,0,0.0,
+NC(=O)CNC1CC(=O)N(CCc2ccccc2)C1=O,0,0.0,
+NC(=O)COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F,0,0.0,
+NC(=O)COC(=O)CCCc1c[nH]c2ccccc12,0,0.0,
+NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1,0,0.0,
+NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1,0,0.0,
+NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1,0,0.0,
+NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+NC(=O)COc1c(-c2ccccc2)oc2ccccc2c1=O,0,0.0,
+NC(=O)COc1ccc(=O)n(-c2ccccc2)n1,1,100.0,0.0
+NC(=O)COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CC2CCCO2)cc1,0,0.0,
+NC(=O)COc1ccc(NC(=O)OCc2ccccc2)cc1,0,0.0,
+NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3,0,0.0,
+NC(=O)CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCC1,0,0.0,
+NC(=O)CS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F,0,0.0,
+NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N12,0,0.0,
+NC(=O)CSCc1c(Cl)cccc1Cl,0,0.0,
+NC(=O)CSCc1ccc(Br)cc1,0,0.0,
+NC(=O)CSP(=O)(c1ccccc1)c1ccccc1,0,0.0,
+NC(=O)CSc1c[nH]c2ccccc12,0,0.0,
+NC(=O)CSc1ccc(Br)cc1,0,0.0,
+NC(=O)CSc1cn(CCNC(=O)c2cccs2)c2ccccc12,0,0.0,
+NC(=O)CSc1nc(-c2ccccc2Cl)ns1,0,0.0,
+NC(=O)CSc1nc(N)c2c3c(sc2n1)CCCCC3,0,0.0,
+NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1,0,0.0,
+NC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CCCN1CCOCC1,0,0.0,
+NC(=O)CSc1nc2ccccc2n1Cc1ccccc1F,0,0.0,
+NC(=O)CSc1nc2sc3c(c2c2ncnn12)CCCC3,0,0.0,
+NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1,0,0.0,
+NC(=O)CSc1ncc(-c2ccccc2)[nH]1,0,0.0,
+NC(=O)CSc1ncnc2c1oc1ccccc12,0,0.0,
+NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1Cc1ccccc1,0,0.0,
+NC(=O)CSc1nnc(-c2ccc(O)cc2)n1Cc1ccco1,0,0.0,
+NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CC1CCCO1,0,0.0,
+NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1Cc1ccco1,0,0.0,
+NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CC1CCCO1,0,0.0,
+NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1Cc1ccccc1,1,100.0,
+NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1,0,0.0,
+NC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1,0,0.0,
+NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1,0,0.0,
+NC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1,0,0.0,
+NC(=O)CSc1nnc(-c2ccoc2)o1,0,0.0,
+NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1,0,0.0,
+NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1,0,0.0,
+NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1CC1CCCO1,0,0.0,
+NC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1CCc1ccccc1,0,0.0,
+NC(=O)CSc1nnc(COc2ccccc2)n1C1CCCCC1,0,0.0,
+NC(=O)CSc1nnc(COc2ccccc2)n1CCc1ccccc1,0,0.0,
+NC(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1C1CCCCC1,0,0.0,
+NC(=O)CSc1nnc(Cc2csc(Nc3ccccc3)n2)n1Cc1ccccc1,0,0.0,
+NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1,0,0.0,
+NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1,0,0.0,
+NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1,0,0.0,
+NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCCC4,0,0.0,
+NC(=O)CSc1nnc2sc3ccccc3n12,0,0.0,
+NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1,0,0.0,
+NC(=O)CSc1nnnn1CC(CC(=O)O)c1ccccc1,0,0.0,
+NC(=O)CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1,0,0.0,
+NC(=O)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,0,0.0,
+NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12,0,0.0,
+NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12,0,0.0,
+NC(=O)Cc1c[nH]c2cccc(O)c12,0,0.0,
+NC(=O)Cn1c(=O)n(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc21,0,0.0,
+NC(=O)Cn1c(=O)oc2ccccc21,0,0.0,
+NC(=O)Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21,0,0.0,
+NC(=O)Cn1cnc(-c2ccccc2)c1,0,0.0,
+NC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1,0,0.0,
+NC(=O)N1CC(O)CC1C(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+NC(=O)N1c2ccccc2C=Cc2ccccc21,0,0.0,
+NC(=O)N1c2ccccc2CC(=O)c2ccccc21,0,0.0,
+NC(=O)NC(=O)COC(=O)CCCc1c[nH]c2ccccc12,0,0.0,
+NC(=O)NC(=O)COC(=O)c1ccccc1Oc1ccccc1,0,0.0,
+NC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1,0,0.0,
+NC(=O)NC(=O)Nc1ccccc1Cl,0,0.0,
+NC(=O)NC(CC(=O)OCC(=O)NC(=O)NCc1ccco1)c1ccc(Cl)cc1,0,0.0,
+NC(=O)NC(Cc1ccccc1)C(=O)NCC1(N2CCCCC2)CCCCC1,0,0.0,
+NC(=O)NC(Cc1ccccc1)C(=O)O,0,0.0,
+NC(=O)NC(Cc1ccccc1)c1ccccc1,0,0.0,
+NC(=O)NC(c1ccccc1)c1ccccc1F,0,0.0,
+NC(=O)NC1CCCc2c1[nH]c1ccc(Cl)cc21,0,0.0,
+NC(=O)NCC12CC3CC(CC(C3)C1)C2,1,100.0,0.0
+NC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1,0,0.0,
+NC(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+NC(=O)Nn1c(CCC(=O)O)ccc1-c1ccc(Br)cc1,0,0.0,
+NC(=O)OCC(COC(N)=O)c1ccccc1,0,0.0,
+NC(=O)OCCSc1nnc(-c2cccc(C(N)=S)c2)o1,0,0.0,
+NC(=O)SC/C(=N\S(=O)(=O)c1ccccc1)Nc1ccccc1,0,0.0,
+NC(=O)SCC(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+NC(=O)SCC(=O)Nc1ccc(Cl)cc1,0,0.0,
+NC(=O)SCC(=O)Nc1cccc(Cl)c1,0,0.0,
+NC(=O)c1c(-c2ccccc2)oc2ccc(O)cc12,0,0.0,
+NC(=O)c1c(-c2cccs2)csc1N,0,0.0,
+NC(=O)c1c(C(F)(F)F)cc(-c2ccccc2)nc1NCCO,0,0.0,
+NC(=O)c1c(N)sc(=S)n1-c1ccccc1,0,0.0,
+NC(=O)c1c(N)sc(=S)n1CC1CCCO1,0,0.0,
+NC(=O)c1c(N)sc2c1CCCC2,0,0.0,
+NC(=O)c1c(N)sc2c1CCCCC2,0,0.0,
+NC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCC2,0,0.0,
+NC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCCCC2,0,0.0,
+NC(=O)c1c(NC(=O)CN2CCCC2)sc2c1CCCC2,0,0.0,
+NC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC2,0,0.0,
+NC(=O)c1c(NC(=O)COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)sc2c1CCC2,0,0.0,
+NC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)sc2c1CCC2,0,0.0,
+NC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccco2)sc2c1CCC2,0,0.0,
+NC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCC2,0,0.0,
+NC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCC2,0,0.0,
+NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCCC2,0,0.0,
+NC(=O)c1c(NC(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2,0,0.0,
+NC(=O)c1cc(-c2ccccc2)nc(N2CCCCCC2)n1,0,0.0,
+NC(=O)c1cc(-c2ccccc2)nc(N2CCOCC2)n1,0,0.0,
+NC(=O)c1cc(-c2ccccc2)nc(Oc2ccccc2)n1,0,0.0,
+NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1,0,0.0,
+NC(=O)c1cc(Br)cc2c3c([nH]c12)CCCC3,0,0.0,
+NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccco1,0,0.0,
+NC(=O)c1cc(Cl)cn(-c2ccccc2)c1=O,0,0.0,
+NC(=O)c1cc(N)ccc1N1CCCC1,0,0.0,
+NC(=O)c1cc(N2C(=O)C3CC=CCC3C2=O)ccc1N1CCCCC1,0,0.0,
+NC(=O)c1cc(S(=O)(=O)NC2CCCCC2)co1,0,0.0,
+NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)co1,0,0.0,
+NC(=O)c1cc2ccc(O)cc2oc1=Nc1ccccc1,0,0.0,
+NC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2,0,0.0,
+NC(=O)c1ccc(-c2ccc(Br)cc2)o1,0,0.0,
+NC(=O)c1ccc(-n2nnnc2Oc2ccccc2)cc1,0,0.0,
+NC(=O)c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1,0,0.0,
+NC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1,0,0.0,
+NC(=O)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1,0,0.0,
+NC(=O)c1ccc(-n2nnnc2SCc2ccccc2)cc1,0,0.0,
+NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+NC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1,0,0.0,
+NC(=O)c1ccc(F)cc1,0,0.0,
+NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,0,0.0,
+NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)CCC2=O)c1,0,0.0,
+NC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1,0,0.0,
+NC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1,0,0.0,
+NC(=O)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1,0,0.0,
+NC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+NC(=O)c1cccc(S(=O)(=O)N2CC(c3ccccc3)CC2=O)c1,0,0.0,
+NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+NC(=O)c1cccc2c(=O)oc3ccccc3c12,0,0.0,
+NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2,0,0.0,
+NC(=O)c1cccc2c3c([nH]c12)CCCC3,0,0.0,
+NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1,0,0.0,
+NC(=O)c1ccccc1N/C=C/C(=O)c1ccccc1,0,0.0,
+NC(=O)c1ccccc1N/C=C/C(=O)c1ccco1,0,0.0,
+NC(=O)c1ccccc1N=Cc1ccccn1,0,0.0,
+NC(=O)c1ccccc1NC(=O)CCCN1C(=O)CCC1=O,0,0.0,
+NC(=O)c1ccccc1NC(=O)CCc1ccccc1,0,0.0,
+NC(=O)c1ccccc1NC(=O)CN1CCOCC1,0,0.0,
+NC(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1,0,0.0,
+NC(=O)c1ccccc1NC(=O)c1ccccc1F,0,0.0,
+NC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1,0,0.0,
+NC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1,0,0.0,
+NC(=O)c1ccccc1NS(=O)(=O)c1cccs1,0,0.0,
+NC(=O)c1ccccc1OCC(=O)NS(=O)(=O)c1ccccc1,0,0.0,
+NC(=O)c1ccccc1OCC1CC(c2ccccc2)=NO1,0,0.0,
+NC(=O)c1ccccc1OCCOCCOCCOc1ccccc1C(N)=O,0,0.0,
+NC(=O)c1cccn1Cc1ccccc1Cl,0,0.0,
+NC(=O)c1ccsc1NC(=O)C1CC1,0,0.0,
+NC(=O)c1ccsc1NC(=O)C1CCCCC1,0,0.0,
+NC(=O)c1ccsc1NC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+NC(=O)c1ccsc1NC(=O)CN1C(=O)C2CC=CCC2C1=O,0,0.0,
+NC(=O)c1ccsc1NC(=O)COC(=O)C1CCCN1C(=O)c1cccs1,0,0.0,
+NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccsc1,0,0.0,
+NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1NCc1ccco1,0,0.0,
+NC(=O)c1ccsc1NC(=O)COc1ccccc1,0,0.0,
+NC(=O)c1ccsc1NC(=O)CSc1ccccc1F,0,0.0,
+NC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO,0,0.0,
+NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+NC(=O)c1ccsc1NC(=O)c1ccco1,0,0.0,
+NC(=O)c1ccsc1NC(=O)c1cccs1,0,0.0,
+NC(=O)c1ccsc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1,0,0.0,
+NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1,0,0.0,
+NC(=O)c1cnn(Cc2ccc(Cl)cc2)c1N,0,0.0,
+NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12,0,0.0,
+NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12,0,0.0,
+NC(=O)c1cnn2c1NC(c1ccc(F)cc1)CC2C(F)(F)F,0,0.0,
+NC(=O)c1nc(C2CCCCC2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1,0,0.0,
+NC(=O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+NC(=O)c1nn(-c2ccccc2)nc1N,0,0.0,
+NC(=O)c1nn(-c2ccccc2)nc1NC(=O)CN1CCCCC1,0,0.0,
+NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C2CCCC2)c1N,0,0.0,
+NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C2CCCCC2)c1N,0,0.0,
+NC(=O)c1nsc(C(=O)N(CCc2ccccc2)C(C(=O)NC2CCCC2)c2ccco2)c1N,0,0.0,
+NC(=O)c1nsnc1-c1ccccc1O,0,0.0,
+NC(=O)c1oc2ccc(Cl)cc2c1N,0,0.0,
+NC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CN1CCOCC1,0,0.0,
+NC(=O)c1oc2ccccc2c1NC(=O)C1CCCCC1,0,0.0,
+NC(=O)c1oc2ccccc2c1NC(=O)CCc1ccccc1,0,0.0,
+NC(=O)c1oc2ccccc2c1NC(=O)CN1CCCCC1,0,0.0,
+NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1,0,0.0,
+NC(=O)c1oc2ccccc2c1NC(=O)c1ccco1,0,0.0,
+NC(=O)c1oc2ccccc2c1NC(=O)c1nc2ccccc2s1,0,0.0,
+NC(=O)c1sc(=S)n(-c2ccc(Br)cc2)c1N,0,0.0,
+NC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3,0,0.0,
+NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3,0,0.0,
+NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3,0,0.0,
+NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N,0,0.0,
+NC(=S)c1ccc(C(N)=S)o1,0,0.0,
+NC(CC(=O)O)c1cccc(OCc2ccccc2)c1,0,0.0,
+NC(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1,0,0.0,
+NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,0,0.0,
+NC(CSC12CC3CC(CC(C3)C1)C2)C(=O)O,0,0.0,
+NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O,0,0.0,
+NC(Cc1ccc2nonc2c1)C(=O)O,0,0.0,
+NC(Cc1cccc2nsnc12)C(=O)O,0,0.0,
+NC(N)=NC(=O)c1nc(Cl)c(N)nc1N,0,0.0,
+NC(N)=NC(N)=NCCc1ccccc1,0,0.0,
+NC(N)=NS(=O)(=O)c1ccc(N)cc1,0,0.0,
+NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1,0,0.0,
+NC/C(=N\O)c1ccc(Cl)cc1Cl,0,0.0,
+NC1(N)OC(CN2C(=O)c3ccccc3C2=O)CS1,0,0.0,
+NC12CC3CC(C1)CC(CO)(C3)O2,0,0.0,
+NC12CC3CC(C1)CC(O)(C3)C2,0,0.0,
+NC12CN3CN(CN(C3)C1)C2,0,0.0,
+NC1=C(c2ccc(F)cc2)C(=O)CS1,0,0.0,
+NC1=CC(=O)c2cccc3cccc1c23,0,0.0,
+NC1=NC(=Nc2ccccc2)c2ccccc21,0,0.0,
+NC1=NC(=O)CC(C(=O)NCCc2ccccc2)S1,0,0.0,
+NC1=NC(=O)CC(C(=O)NCc2ccccc2)S1,0,0.0,
+NC1=NC(c2ccc(Br)cc2)n2c(nc3ccccc32)N1,0,0.0,
+NC1=NC(c2ccc(Cl)cc2)n2c(nc3ccccc32)N1,0,0.0,
+NC1=NC(c2ccc(F)cc2)n2c(nc3ccccc32)N1,0,0.0,
+NC1=NC(c2cccc(O)c2)n2c(nc3ccccc32)N1,0,0.0,
+NC1=NC(c2ccccc2Cl)n2c(nc3ccccc32)N1,0,0.0,
+NC1=NC(c2cn(-c3ccccc3)nc2-c2cccs2)n2c(nc3ccccc32)N1,0,0.0,
+NC1=NC2(CCC(c3ccccc3)CC2)n2c(nc3ccccc32)N1,0,0.0,
+NC1=NC2(CCCCC2)n2c(nc3ccccc32)N1,0,0.0,
+NC1=NC2(CCN(Cc3ccccc3)CC2)n2c(nc3ccccc32)N1,0,0.0,
+NC1=NC2=C(CCCC2)C2(CCCCC2)S1,0,0.0,
+NC1=NCc2ccccc21,0,0.0,
+NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12,0,0.0,
+NC1CCCCC1N=Cc1c(O)n(CCc2ccc(F)cc2)c(=O)[nH]c1=O,0,0.0,
+NC1CCCCC1N=Cc1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O,0,0.0,
+NCC(CC(=O)O)c1ccc(Cl)cc1,0,0.0,
+NCC(O)COCCC12CC3CC(CC(C3)C1)C2,0,0.0,
+NCC(O)COc1ccc2c(c1)OCO2,0,0.0,
+NCC1(CC(=O)O)CCCCC1,0,0.0,
+NCC1(c2ccc3c(c2)OCCO3)CCCC1,0,0.0,
+NCC12CC3CC(C1)CC(CN)(C3)C2,0,0.0,
+NCCCC(=O)N1c2ccccc2Sc2ccccc21,1,100.0,1.0
+NCCCCCNC(=O)/C=N\O,0,0.0,
+NCCCCCc1nnc(SC/C=C/c2ccccc2)o1,1,100.0,1.0
+NCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1,0,0.0,
+NCCCCCc1nnc(SCc2cccc(Cl)c2)o1,1,100.0,1.0
+NCCCCCc1nnc(SCc2ccccc2Cl)o1,0,0.0,
+NCCCNC(=O)c1cc2ccccc2[nH]1,0,0.0,
+NCCCP(=O)(O)CCc1ccccc1,0,0.0,
+NCCCSC1=NCCCN1,0,0.0,
+NCCN1CCN(CCN)CC1,0,0.0,
+NCCOc1ccccc1-c1ccccc1,0,0.0,
+NCCc1c[nH]c2ccc(F)cc12,0,0.0,
+NCCc1ccc(O)cc1,0,0.0,
+NCCc1nnc(SCc2c(F)cccc2Cl)o1,0,0.0,
+NCCc1nnc(SCc2ccc(F)cc2)o1,0,0.0,
+NCCc1nnc(SCc2ccccc2)o1,0,0.0,
+NCCc1nnc(SCc2ccccc2F)o1,0,0.0,
+NC[C@@]12CCCC1C1CCC2C1,0,0.0,
+NCc1ccc(-c2nc3ccccc3o2)cc1,0,0.0,
+NCc1ccc(S(N)(=O)=O)cc1,0,0.0,
+NCc1cccc(-n2cccn2)c1,0,0.0,
+NNC(=O)c1ccncc1,0,0.0,
+NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O,0,0.0,
+NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,0,0.0,
+NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,0,0.0,
+NS(=O)(=O)c1cc2c(cc1Cl)NC(C1C[C@H]3C=C[C@@H]1C3)NS2(=O)=O,0,0.0,
+NS(=O)(=O)c1cc2c(cc1Cl)NC(CSCc1ccccc1)=NS2(=O)=O,0,0.0,
+NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O,0,0.0,
+NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,0,0.0,
+NS(=O)(=O)c1ccc(-c2ccc(C=NC3CCS(=O)(=O)C3)o2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1,0,0.0,
+NS(=O)(=O)c1ccc(C(=O)O)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCCN2C(=O)OCc2ccccc2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CCC2COc3ccccc3O2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)C2CCCCC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2CCCN2C(=O)c2cccs2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2F)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)c2cncc(Br)c2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC2CC(=O)N(Cc3ccccc3)C2=O)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNc2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNc2ncnc3sccc23)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CNC(=O)C2CCCCC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CNC(=O)NC2(c3ccccc3)CC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)o2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(N=Cc2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)CN2CCCCC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)COC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)COC(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)CSC2=NC(=O)C(c3ccccc3)C(=O)N2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)CSC2CCCCC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)CSc2ccccn2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CCCCC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NCc2c(F)cccc2Cl)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2F)CC2CCCO2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1,0,0.0,
+NS(=O)(=O)c1cccc2cccnc12,0,0.0,
+N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1,0,0.0,
+N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2c(F)cccc2Cl)o1,0,0.0,
+N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(Cl)cc2)o1,0,0.0,
+N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(F)cc2)o1,0,0.0,
+N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccccc2)o1,0,0.0,
+N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccccc2F)o1,0,0.0,
+N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,0,0.0,
+N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O,0,0.0,
+N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2Cl)o1,0,0.0,
+N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2F)o1,0,0.0,
+N[C@@H](Cc1ccccc1)c1nnc2sc(SCc3ccccc3)nn12,0,0.0,
+N[C@@]12CCc3nonc3[C@]1(O)CC(c1ccccc1)=[N+]2[O-],0,0.0,
+Nc1[nH]c(=S)[nH]c(=O)c1-c1ccccc1,1,100.0,0.0
+Nc1[nH]nc2nc(N3CCCC3)nc(-c3ccccc3)c12,0,0.0,
+Nc1[nH]nc2nc(N3CCOCC3)nc(-c3ccccc3)c12,0,0.0,
+Nc1[nH]nc2nc(NCc3ccccc3)c3c(c12)CCN(Cc1ccccc1)C3,0,0.0,
+Nc1[nH]ncc1C(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+Nc1c(-c2ccc(Cl)cc2)nnn1-c1ccccc1,1,100.0,0.0
+Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1,0,0.0,
+Nc1c(Br)cc2oc(-c3ccccc3)nc2c1Br,0,0.0,
+Nc1c(C(=O)CCC(=O)O)oc2ccc(Cl)cc12,0,0.0,
+Nc1c(C(=O)N2CCCCC2)sc(=S)n1-c1ccccc1,0,0.0,
+Nc1c(C(=O)N2CCOCC2)sc(=S)n1-c1ccccc1,0,0.0,
+Nc1c(C(=O)NC2CC2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2,0,0.0,
+Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1/N=C/c1cccnc1,0,0.0,
+Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1CC1CCCO1,0,0.0,
+Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1N,0,0.0,
+Nc1c(C(=O)NC2CCCC2)sc2nc(-c3cccs3)ccc12,0,0.0,
+Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1/N=C/c1ccco1,0,0.0,
+Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)OCC(=O)NC1CCCCC1,0,0.0,
+Nc1c(C(=O)NCC2CCCO2)c2nc3ccccc3nc2n1-c1ccccc1,0,0.0,
+Nc1c(C(=O)NCC2CCCO2)c2nc3ccccc3nc2n1/N=C/c1ccncc1,0,0.0,
+Nc1c(C(=O)NCC2CCCO2)sc(=S)n1-c1ccccc1,0,0.0,
+Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2,0,0.0,
+Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1cccc(F)c1,0,0.0,
+Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccccc1,0,0.0,
+Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1CCc1ccccc1,0,0.0,
+Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1CCc1ccccc1F,0,0.0,
+Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1Cc1ccco1,0,0.0,
+Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1CCN1CCOCC1,0,0.0,
+Nc1c(C(=O)NCCc2ccccc2)nnn1Cc1ccccc1,0,0.0,
+Nc1c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc2n1CCCN1CCOCC1,0,0.0,
+Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccc(F)cc1,0,0.0,
+Nc1c(C(=O)NCc2ccccc2)nnn1Cc1cccc(Cl)c1,0,0.0,
+Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1,0,0.0,
+Nc1c(C(=O)NCc2cccnc2)sc(=S)n1-c1ccccc1,0,0.0,
+Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1,0,0.0,
+Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1,0,0.0,
+Nc1c(C(=O)NCc2ccco2)nnn1-c1ccccc1,0,0.0,
+Nc1c(C(=O)NCc2ccco2)nnn1Cc1ccccc1,0,0.0,
+Nc1c(C(=O)NCc2ccco2)sc2nc(N3CCOCC3)c3c(c12)CCCC3,0,0.0,
+Nc1c(C(=O)NCc2ccco2)sc2nc3c(cc12)C(=O)CCC3,0,0.0,
+Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12,0,0.0,
+Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1CCc1ccccc1,0,0.0,
+Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccco3)ccc12,0,0.0,
+Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1CC1CCCO1,0,0.0,
+Nc1c(C(=O)OCC2CCCO2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCCO2,0,0.0,
+Nc1c(C(=O)OCC2CCCO2)c2nc3ccccc3nc2n1C1CCCC1,0,0.0,
+Nc1c(C(=O)OCC2CCCO2)c2nc3ccccc3nc2n1C1CCCCC1,0,0.0,
+Nc1c(C(=O)OCC2CCCO2)c2nc3ccccc3nc2n1Cc1cccs1,0,0.0,
+Nc1c(C(=O)c2ccc(Br)s2)oc2ccccc12,0,0.0,
+Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12,0,0.0,
+Nc1c(C(=O)c2ccccc2)oc2ccc(Br)cc12,0,0.0,
+Nc1c(C(=O)c2cccs2)oc2ccccc12,0,0.0,
+Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12,0,0.0,
+Nc1c(C2=NCCO2)nnn1Cc1ccccc1,0,0.0,
+Nc1c(N2CCCC2)cc(Cl)c2nonc12,0,0.0,
+Nc1c(N2CCCCC2)c(=O)[nH]c(=O)n1-c1ccccc1,0,0.0,
+Nc1c(N2CCN(c3ccccc3)CC2)c2ccccc2oc1=O,0,0.0,
+Nc1c(N2CCOCC2)cc(Cl)c2nonc12,0,0.0,
+Nc1c(NC2CCCCC2)c2ccccc2oc1=O,0,0.0,
+Nc1c(NCCC2=CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1,0,0.0,
+Nc1c(NCCCN2CCOCC2)c2ccccc2oc1=O,0,0.0,
+Nc1c(NCCN2CCOCC2)c2ccccc2oc1=O,0,0.0,
+Nc1c(NCc2ccccc2)c2ccccc2oc1=O,0,0.0,
+Nc1c(NCc2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1,0,0.0,
+Nc1c(Nc2ccccc2)c2ccccc2oc1=O,0,0.0,
+Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1/N=C/c1ccc(O)c(O)c1,0,0.0,
+Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1CCN1CCOCC1,0,0.0,
+Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1/N=C/c1cccc(O)c1,0,0.0,
+Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccco1,0,0.0,
+Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccco1,0,0.0,
+Nc1c(S(=O)(=O)c2ccccc2)nnn1-c1ccccc1,0,0.0,
+Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1/N=C/c1cccc(O)c1,1,100.0,0.0
+Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1CC1CCCO1,0,0.0,
+Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1Cc1ccc2c(c1)OCO2,0,0.0,
+Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1Cc1cccs1,0,0.0,
+Nc1c(Sc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1,0,0.0,
+Nc1c2c(nc3ccccc13)CCC2,0,0.0,
+Nc1c2c(nc3ccccc13)N(C1CCCCC1)CC2,0,0.0,
+Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2,0,0.0,
+Nc1c2c(nc3ccn(-c4ccccc4)c(=O)c13)CCCCC2,0,0.0,
+Nc1c2c(nc3ccn(Cc4ccccc4)c(=O)c13)CCC2,0,0.0,
+Nc1c2ccccc2nc(=S)n1N,0,0.0,
+Nc1cc(-c2ccc(Br)cc2)[nH]n1,0,0.0,
+Nc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)c1ccccc1,0,0.0,
+Nc1cc(-c2cccc(F)c2)nn1S(=O)(=O)c1cccc2nsnc12,0,0.0,
+Nc1cc(-c2ccccc2)ccc1O,0,0.0,
+Nc1cc(-c2ccco2)no1,0,0.0,
+Nc1cc(-c2nn[nH]n2)ccc1F,0,0.0,
+Nc1cc(=O)[nH]c(=O)n1Cc1ccco1,0,0.0,
+Nc1cc(=O)[nH]c(SCC(=O)NCC2CCCO2)n1,0,0.0,
+Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)n1,0,0.0,
+Nc1cc(=O)[nH]c(SCCNS(=O)(=O)c2ccccc2)n1,0,0.0,
+Nc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1,0,0.0,
+Nc1cc(=O)[nH]c(SCc2nc3ccccc3n2Cc2ccccc2)n1,0,0.0,
+Nc1cc(=O)[nH]c(SCc2nnc(-c3ccccc3)o2)n1,0,0.0,
+Nc1cc(=O)[nH]n1C1CCN(c2ccccc2)CC1,0,0.0,
+Nc1cc(=O)nc(SCC(=O)NC2CCCCC2)n1-c1ccccc1,0,0.0,
+Nc1cc(=O)nc(SCc2ccccc2)n1Cc1ccco1,0,0.0,
+Nc1cc(Br)c(N)c(Br)c1,0,0.0,
+Nc1cc(C(=O)N2CCCC2)cc(C(=O)N2CCCC2)c1,0,0.0,
+Nc1cc(C(=O)O)ccc1N1CCCCCC1,0,0.0,
+Nc1cc(C(=O)O)ccc1Nc1ccc(F)c(F)c1,0,0.0,
+Nc1cc(C(=O)O)ccc1Nc1ccccc1,0,0.0,
+Nc1cc(C(=O)OCC(=O)NCC2CCCO2)ccc1Cl,0,0.0,
+Nc1cc(C(=O)OCC(=O)NCc2ccco2)ccc1Cl,0,0.0,
+Nc1cc(C(=O)c2cccs2)ccc1Cl,0,0.0,
+Nc1cc(C(F)(F)F)ccc1C(=O)O,0,0.0,
+Nc1cc(C2CCCC2)nn1-c1ccccc1,0,0.0,
+Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O,0,0.0,
+Nc1cc(Cl)c(N)cc1Cl,0,0.0,
+Nc1cc(Cl)ccc1N1CCOCC1,0,0.0,
+Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F,0,0.0,
+Nc1cc(N)cc(-c2nc3ccccc3[nH]2)c1,0,0.0,
+Nc1cc(N)cc(-c2nc3ccccc3o2)c1,0,0.0,
+Nc1cc(N)nc(SCC(=O)N2CCCCC2)n1,0,0.0,
+Nc1cc(N)nc(SCC(=O)NCC2CCCO2)n1,0,0.0,
+Nc1cc(N)nc(SCC(=O)Nc2ccc(Br)cc2Cl)n1,0,0.0,
+Nc1cc(N)nc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1,0,0.0,
+Nc1cc(N)nc(SCCN2CCCCC2)n1,0,0.0,
+Nc1cc(N)nc(SCCOc2ccccc2)n1,0,0.0,
+Nc1cc(N)nc(SCc2cc(=O)oc3cc4c(cc23)CCC4)n1,0,0.0,
+Nc1cc(N)nc(SCc2ccccc2)n1,0,0.0,
+Nc1cc(N)nc(SCc2cccnc2)n1,0,0.0,
+Nc1cc(OC(=O)c2ccccc2Br)nn1S(=O)(=O)c1ccccc1,0,0.0,
+Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+Nc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1,0,0.0,
+Nc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1,0,0.0,
+Nc1ccc(-c2cnc(-c3ccc(N)cc3)nc2)cc1,0,0.0,
+Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1N,0,0.0,
+Nc1ccc(-c2nc3c(Cl)c(N)ccc3[nH]2)cc1,0,0.0,
+Nc1ccc(-c2nc3c(Cl)cc(N)cc3[nH]2)cc1,0,0.0,
+Nc1ccc(-c2nc3ccc(-c4nc5ccccc5o4)cc3[nH]2)cc1,0,0.0,
+Nc1ccc(-c2nc3ccc(N)cc3o2)cc1,0,0.0,
+Nc1ccc(-c2nc3ccccc3[nH]2)cc1,0,0.0,
+Nc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1,0,0.0,
+Nc1ccc(-n2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1,0,0.0,
+Nc1ccc(-n2ccnc2)cc1,0,0.0,
+Nc1ccc(-n2nncc2-c2ccco2)cc1,0,0.0,
+Nc1ccc(-n2nnnc2-c2ccco2)cc1,0,0.0,
+Nc1ccc(C(=O)Nc2nc3ccccc3s2)cc1,0,0.0,
+Nc1ccc(C(=O)O)c(O)c1,0,0.0,
+Nc1ccc(C(=O)OCCCc2nc3ccccc3[nH]2)cc1,1,100.0,
+Nc1ccc(C(=O)OCc2nc3ccccc3[nH]2)cc1,0,0.0,
+Nc1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1N,0,0.0,
+Nc1ccc(C(=O)c2ccccc2C(=O)O)cc1Cl,0,0.0,
+Nc1ccc(C2(c3ccc(N)cc3)CN3CCC2CC3)cc1,0,0.0,
+Nc1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1,0,0.0,
+Nc1ccc(CCS(N)(=O)=O)cc1,0,0.0,
+Nc1ccc(CCc2nc3ccccc3o2)cc1,0,0.0,
+Nc1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)cc1,0,0.0,
+Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1,0,0.0,
+Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1,0,0.0,
+Nc1ccc(N2CCCCC2)cc1N1CCCCC1,0,0.0,
+Nc1ccc(N2CCCCCC2)cc1,0,0.0,
+Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1,0,0.0,
+Nc1ccc(N2CCOCC2)c(Cl)c1,0,0.0,
+Nc1ccc(NC(=O)c2cccs2)c(Cl)c1,0,0.0,
+Nc1ccc(Nc2ccccc2)c(Cl)c1,0,0.0,
+Nc1ccc(Nc2ccccc2N)cc1,0,0.0,
+Nc1ccc(O)c(-c2nc3ccccc3s2)c1,0,0.0,
+Nc1ccc(O)cc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+Nc1ccc(OCc2ccccc2)cc1,0,0.0,
+Nc1ccc(S(=O)(=O)N2CC3CC(C2)c2cccc(=O)n2C3)cc1,0,0.0,
+Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1,0,0.0,
+Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,0,0.0,
+Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1,0,0.0,
+Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,0,0.0,
+Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,0,0.0,
+Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0,0.0,
+Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,0,0.0,
+Nc1ccc(S(=O)(=O)c2cccc(N)c2)cc1,0,0.0,
+Nc1ccc(SC(F)(F)F)cc1C(=O)c1ccccc1,0,0.0,
+Nc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+Nc1ccc(Sc2nnnn2-c2ccccc2)c(Cl)c1,0,0.0,
+Nc1ccc2[nH]ncc2c1,0,0.0,
+Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,0,0.0,
+Nc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2,0,0.0,
+Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O,0,0.0,
+Nc1ccc2c(c1)C(=O)N(CCCC(=O)O)C2=O,0,0.0,
+Nc1ccc2c(c1)CCC2=O,0,0.0,
+Nc1ccc2c(c1)COc1ccccc1O2,0,0.0,
+Nc1ccc2c(c1)N1CCN=C1S2,0,0.0,
+Nc1ccc2c(c1)ncn2CCCn1cnc2cc(N)ccc21,0,0.0,
+Nc1ccc2c3c(cccc13)CC2,0,0.0,
+Nc1ccc2cn[nH]c2c1,0,0.0,
+Nc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1,0,0.0,
+Nc1ccc2nc3n(c(=O)c2c1)CCC3,0,0.0,
+Nc1ccc2ncccc2c1,0,0.0,
+Nc1ccc2ncccc2c1N,0,0.0,
+Nc1ccc2nn(-c3cccc4ccccc34)nc2c1,0,0.0,
+Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1,0,0.0,
+Nc1ccc2oc(-c3cccc(Br)c3)nc2c1,0,0.0,
+Nc1ccc2oc(-c3cccc4ccccc34)nc2c1,0,0.0,
+Nc1ccc2oc(-c3ccccc3Cl)nc2c1,0,0.0,
+Nc1ccc2oc(-c3ccccn3)nc2c1,0,0.0,
+Nc1ccc2oc(-c3cccs3)nc2c1,0,0.0,
+Nc1ccc2oc(=O)c3ccccc3c2c1,0,0.0,
+Nc1ccc2oc(CCc3ccccc3)nc2c1,0,0.0,
+Nc1ccc2oc3ncccc3c(=O)c2c1,0,0.0,
+Nc1ccc[n+](Cc2ccccn2)c1,0,0.0,
+Nc1cccc(-c2nc3ccc(N)cc3s2)c1,0,0.0,
+Nc1cccc(-c2nc3ccccc3[nH]2)c1,0,0.0,
+Nc1cccc(-n2nncc2-c2ccc(Cl)cc2)c1,0,0.0,
+Nc1cccc(-n2nncc2-c2ccccc2)c1,0,0.0,
+Nc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1,0,0.0,
+Nc1cccc(C(=O)Nc2ccc3nc(-c4cccnc4)[nH]c3c2)c1,0,0.0,
+Nc1cccc(C(=O)Nc2ccccc2Cl)c1,0,0.0,
+Nc1cccc(C(=O)Nc2ccco2)c1,0,0.0,
+Nc1cccc(C(=O)O)c1,0,0.0,
+Nc1cccc(N=Cc2c(O)n(Cc3ccc(F)cc3)c(=O)[nH]c2=O)c1,0,0.0,
+Nc1cccc(NC(=O)c2cccs2)c1,0,0.0,
+Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1,0,0.0,
+Nc1cccc2c1C(=O)N(C(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C2=O,0,0.0,
+Nc1cccc2c1C(=O)N(c1ccccc1)C2=O,0,0.0,
+Nc1cccc2cnccc12,0,0.0,
+Nc1ccccc1-c1nc2ccccc2[nH]1,0,0.0,
+Nc1ccccc1-c1nnc(SCc2ccccc2F)[nH]c1=O,0,0.0,
+Nc1ccccc1C(=O)OC1CSC1,1,100.0,0.0
+Nc1ccccc1C(=O)OCCOc1ccccc1,0,0.0,
+Nc1ccccc1C(=O)c1ccccc1,0,0.0,
+Nc1ccccc1N=Cc1c(O)n(CCC2=CCCCC2)c(=O)[nH]c1=O,0,0.0,
+Nc1ccccc1NC(=O)c1ccccc1,0,0.0,
+Nc1ccccc1NC(=O)c1ccccc1N,0,0.0,
+Nc1ccccc1NC1=CC(=O)CC(c2ccco2)C1,0,0.0,
+Nc1ccccc1OCCOCCOCCOc1ccccc1N,0,0.0,
+Nc1ccccc1OCCOCCOc1ccccc1N,0,0.0,
+Nc1ccccc1S(=O)(=O)c1ccccc1N,0,0.0,
+Nc1ccccc1SCC(=O)N1CCc2ccccc21,0,0.0,
+Nc1ccccc1SCc1cn2ccccc2n1,0,0.0,
+Nc1ccccc1SCc1cn2cccnc2n1,0,0.0,
+Nc1ccn(-c2ccc(Cl)cc2)c(=O)c1,0,0.0,
+Nc1ccn(-c2ccccc2)c(=O)c1,0,0.0,
+Nc1ccnc(C(F)(F)F)c1C(=O)c1ccccc1,0,0.0,
+Nc1ccnn1C1CCNCC1,0,0.0,
+Nc1ccnn1Cc1cccnc1,0,0.0,
+Nc1cnn(C2CCCO2)c(=O)n1,0,0.0,
+Nc1csnc1C(=O)O,0,0.0,
+Nc1n[nH]c(-c2ccc(Br)cc2)c1Cl,0,0.0,
+Nc1n[nH]c(-c2ccc(F)cc2)n1,0,0.0,
+Nc1n[nH]c(-c2ccccc2)c1-c1ccccc1,0,0.0,
+Nc1n[nH]c(S(=O)(=O)CCCc2ccccc2)n1,0,0.0,
+Nc1n[nH]c2c1C1(CCCCC1)Cc1ccccc1-2,0,0.0,
+Nc1nc(-c2c[nH]c3ccccc23)cs1,0,0.0,
+Nc1nc(-c2ccc(Br)cc2)cs1,0,0.0,
+Nc1nc(-c2ccc(Br)s2)c(Br)s1,0,0.0,
+Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1,0,0.0,
+Nc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1cccnc1,0,0.0,
+Nc1nc(-c2ccc(Cl)cc2Cl)cn1N,0,0.0,
+Nc1nc(-c2ccc3c(c2)CCCC3)cs1,0,0.0,
+Nc1nc(-c2ccc3c(c2)OCCO3)cs1,0,0.0,
+Nc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1,0,0.0,
+Nc1nc(-c2ccccc2)cc(-c2ccccc2O)n1,0,0.0,
+Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1,0,0.0,
+Nc1nc(-c2ccccc2)nc(-c2ccccc2O)n1,0,0.0,
+Nc1nc(-c2ccccc2)nn1C(=O)Cc1ccccc1,0,0.0,
+Nc1nc(-c2ccccc2Br)cs1,0,0.0,
+Nc1nc(-c2cccnc2)nc(N2CCCCC2)n1,0,0.0,
+Nc1nc(-c2cccnc2)nn1C(=O)CCc1ccccc1,0,0.0,
+Nc1nc(-c2cccnc2)nn1C(=O)COc1ccccc1,0,0.0,
+Nc1nc(-c2cccnc2)nn1C(=O)Cc1ccccc1,0,0.0,
+Nc1nc(-c2cccnc2)nn1C(=O)c1ccco1,0,0.0,
+Nc1nc(-c2cccnc2)nn1S(=O)(=O)c1ccccc1,0,0.0,
+Nc1nc(-c2ccco2)c(-c2ccco2)s1,0,0.0,
+Nc1nc(-c2ccco2)cs1,0,0.0,
+Nc1nc(-c2ccco2)nc(N2CCCCC2)n1,0,0.0,
+Nc1nc(-c2ccco2)nn1C(=O)CCc1ccccc1,0,0.0,
+Nc1nc(-c2ccco2)nn1C(=O)c1cccnc1,0,0.0,
+Nc1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1,0,0.0,
+Nc1nc(-c2nc3ccccc3[nH]2)cs1,0,0.0,
+Nc1nc(-n2cnnc2)nn1-c1ccccc1,0,0.0,
+Nc1nc(C(=O)N2CCOCC2)nn1C(=O)c1ccc(Cl)cc1,0,0.0,
+Nc1nc(C(=O)N2CCOCC2)nn1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+Nc1nc(C(=O)N2CCOCC2)nn1S(=O)(=O)c1ccccc1,0,0.0,
+Nc1nc(C2C(=O)CCCC2=O)cs1,0,0.0,
+Nc1nc(C2CC2)c(Sc2sc(N)nc2C2CC2)s1,0,0.0,
+Nc1nc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cs1,0,0.0,
+Nc1nc(CN2CCCCC2)cs1,0,0.0,
+Nc1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(Nc2ccccc2)n1,0,0.0,
+Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(N2CCCc3ccccc32)n1,0,0.0,
+Nc1nc(CN2CCN(c3cccc(Cl)c3)CC2)nc(N2CCCc3ccccc32)n1,0,0.0,
+Nc1nc(CN2CCN(c3ccccc3)CC2)nc(N2CCCc3ccccc32)n1,1,100.0,0.0
+Nc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2ccccc2)n1,0,0.0,
+Nc1nc(CN2CCN(c3ccccn3)CC2)nc(Nc2ccc(Cl)cc2)n1,0,0.0,
+Nc1nc(CN2CCN(c3ccccn3)CC2)nc(Nc2ccc(F)cc2)n1,0,0.0,
+Nc1nc(CN2CCOCC2)cs1,1,100.0,0.0
+Nc1nc(CN2CCc3ccccc3C2)nc(Nc2ccccc2)n1,0,0.0,
+Nc1nc(COc2ccc3ccccc3c2)cs1,0,0.0,
+Nc1nc(CSCc2ccccc2)nc(N2CCOCC2)n1,0,0.0,
+Nc1nc(CSc2ccccn2)nc(Nc2ccccc2)n1,0,0.0,
+Nc1nc(CSc2n[nH]c(-c3ccccc3)n2)nc(Nc2ccccc2)n1,0,0.0,
+Nc1nc(CSc2nc3ccccc3[nH]2)cs1,0,0.0,
+Nc1nc(CSc2nc3ccccc3[nH]2)nc(N2CCOCC2)n1,0,0.0,
+Nc1nc(CSc2nc3ccccc3s2)nc(N2CCCCC2)n1,0,0.0,
+Nc1nc(CSc2ncn(-c3ccccc3)n2)cs1,0,0.0,
+Nc1nc(CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)nc(N2CCOCC2)n1,0,0.0,
+Nc1nc(CSc2nnnn2-c2ccc(F)c(Cl)c2)nc(N2CCOCC2)n1,0,0.0,
+Nc1nc(CSc2nnnn2-c2ccccc2)nc(N2CCCc3ccccc32)n1,0,0.0,
+Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0,0.0,
+Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,0,0.0,
+Nc1nc(Cn2nnc(-c3ccccc3F)n2)nc(N2CCOCC2)n1,0,0.0,
+Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,0,0.0,
+Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,0,0.0,
+Nc1nc(N)c2sc3nc4c(cc3c2n1)CCC4,0,0.0,
+Nc1nc(N)nc(-c2ccccc2)n1,0,0.0,
+Nc1nc(N)nc(-c2ccccn2)n1,0,0.0,
+Nc1nc(N2C(=O)C3CC=CCC3C2=O)nn1-c1ccccc1,0,0.0,
+Nc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1,0,0.0,
+Nc1nc(N2CCCCC2)nc2ccccc12,1,100.0,1.0
+Nc1nc(N2CCN(C/C=C/c3ccccc3)CC2)nc2ccccc12,0,0.0,
+Nc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1,0,0.0,
+Nc1nc(N2CCOCC2)nc2ccccc12,0,0.0,
+Nc1nc(NC(=O)CCCC(=O)O)nn1-c1ccccc1,0,0.0,
+Nc1nc(NC(=O)CCc2ccccc2)nn1-c1ccccc1,0,0.0,
+Nc1nc(NC(=O)Cc2ccccc2)nn1-c1ccccc1,0,0.0,
+Nc1nc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)nc(-c2ccccc2)n1,0,0.0,
+Nc1nc(NC(=O)c2cccnc2)nn1-c1ccccc1,0,0.0,
+Nc1nc(NC(=O)c2ccco2)nn1-c1ccccc1,0,0.0,
+Nc1nc(NC(=O)c2cccs2)nn1-c1ccccc1,0,0.0,
+Nc1nc(NCc2c(F)cccc2Cl)nn1-c1ccccc1,0,0.0,
+Nc1nc(NCc2ccccc2)nc(-c2ccccc2)n1,0,0.0,
+Nc1nc(NCc2ccco2)nn1-c1ccccc1,0,0.0,
+Nc1nc(NCc2cccs2)nn1-c1ccccc1,0,0.0,
+Nc1nc(Nc2ccc(Cl)cc2Cl)nc(C(F)(F)F)n1,0,0.0,
+Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)n1,0,0.0,
+Nc1nc(Nc2cccc(F)c2)nc2ccccc12,0,0.0,
+Nc1nc(Nc2cccc3ccccc23)nc(C2CCCC2=O)n1,0,0.0,
+Nc1nc(Nc2ccccc2)nc2ccccc12,0,0.0,
+Nc1nc(Nc2ccccc2Br)nc(C(F)(F)F)n1,0,0.0,
+Nc1nc(OCC(F)(F)F)cc(Oc2ccccc2F)n1,0,0.0,
+Nc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n[nH]1,0,0.0,
+Nc1nc(SCC(=O)N2CCCC2)[nH]c(=O)c1-c1ccccc1,0,0.0,
+Nc1nc(SCC(=O)N2CCCc3ccccc32)[nH]c(=O)c1-c1ccccc1,0,0.0,
+Nc1nc(SCC(=O)N2CCCc3ccccc32)n(-c2ccccc2)n1,0,0.0,
+Nc1nc(SCC(=O)N2CCc3ccccc32)[nH]c(=O)c1-c1ccccc1,0,0.0,
+Nc1nc(SCC(=O)N2CCc3ccccc3C2)[nH]c(=O)c1-c1ccccc1,0,0.0,
+Nc1nc(SCC(=O)NCCCN2CCOCC2)nc2sc3c(c12)CCC3,0,0.0,
+Nc1nc(SCC(=O)NCCCO)nc2sc3c(c12)CCC3,0,0.0,
+Nc1nc(SCC(=O)NCc2ccccc2)n[nH]1,0,0.0,
+Nc1nc(SCC(=O)NCc2ccco2)[nH]c(=O)c1-c1ccccc1,0,0.0,
+Nc1nc(SCC(=O)Nc2ccc(Br)cc2F)n[nH]1,0,0.0,
+Nc1nc(SCC(=O)OCc2ccccc2)[nH]c(=O)c1NC(=O)c1ccco1,0,0.0,
+Nc1nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1,0,0.0,
+Nc1nc(SCCOc2ccccc2)n[nH]1,0,0.0,
+Nc1nc(SCc2ccc(Cl)cc2)ns1,0,0.0,
+Nc1nc(SCc2ccc(Cl)cc2Cl)n[nH]1,0,0.0,
+Nc1nc(SCc2ccc3c(c2)OCCO3)n[nH]1,0,0.0,
+Nc1nc(SCc2ccc3c(c2)OCO3)n[nH]1,0,0.0,
+Nc1nc(SCc2ccccc2)[nH]c(=O)c1-c1ccccc1,0,0.0,
+Nc1nc(SCc2ccccc2)ns1,0,0.0,
+Nc1nc(SCc2nc3scc(-c4cccs4)c3c(=O)[nH]2)n[nH]1,0,0.0,
+Nc1nc2c(c3c1c(=O)oc1ccccc13)CCCCC2,0,0.0,
+Nc1nc2c(ncn2COCCO)c(=O)[nH]1,0,0.0,
+Nc1nc2c(s1)C(=O)CCC2,0,0.0,
+Nc1nc2c(s1)CC(c1ccccc1)CC2,0,0.0,
+Nc1nc2c(s1)CCc1c-2cnn1-c1ccccc1,0,0.0,
+Nc1nc2c3ccccc3nc(Cc3ccccc3)n2n1,0,0.0,
+Nc1nc2ccc(C(=O)NC3CCCCC3)cc2s1,0,0.0,
+Nc1nc2ccc(C(=O)Nc3ccccc3)cc2s1,0,0.0,
+Nc1nc2ccc(N3CCOCC3)cc2s1,0,0.0,
+Nc1nc2ccc(OC(F)(F)F)cc2s1,0,0.0,
+Nc1nc2ccc(Oc3ccccc3)cc2s1,0,0.0,
+Nc1nc2ccc(S(=O)(=O)c3ccc4nc(N)sc4c3)cc2s1,0,0.0,
+Nc1nc2ccccc2n1/N=C/c1ccc(-c2ccccc2)o1,0,0.0,
+Nc1nc2ccccc2n1/N=C/c1ccc(Br)cc1,1,100.0,0.0
+Nc1nc2ccccc2n1C(=O)CCc1ccccc1,0,0.0,
+Nc1nc2ccccc2n1CCN1CCCC1,0,0.0,
+Nc1nc2ccccc2n1CCOc1ccccc1Cl,0,0.0,
+Nc1nc2ccccc2nc1N,0,0.0,
+Nc1nc2n(n1)C(c1c(F)cccc1Cl)CC(c1ccc(F)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1ccc(Cl)cc1)CC(c1ccc(F)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1ccc(F)cc1)CC(c1ccc(F)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1cccc(Br)c1)CC(c1ccc(F)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1cccc(Br)c1)CC(c1ccccc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1cccc(Cl)c1)CC(c1ccc(F)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1ccccc1)CC(c1ccc(F)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1ccccc1Cl)CC(c1ccc(F)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1ccco1)CC(c1ccc(Cl)c(Cl)c1)N2,0,0.0,
+Nc1nc2n(n1)C(c1ccco1)CC(c1ccc(Cl)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1ccco1)CC(c1ccc(Cl)cc1Cl)N2,0,0.0,
+Nc1nc2n(n1)C(c1ccco1)CC(c1ccc(F)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1ccco1)CC(c1ccccc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1cccs1)CC(c1ccc(Br)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1cccs1)CC(c1ccc(F)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1cccs1)CC(c1ccccc1)N2,0,0.0,
+Nc1nc2n(n1)C1(CCCCC1)C1=C(CCCC1)N2,0,0.0,
+Nc1nc2nc(SCC(=O)N3CCCc4ccccc43)[nH]c2c(=O)[nH]1,0,0.0,
+Nc1nc2nccc(-c3ccc(Cl)cc3)n2n1,0,0.0,
+Nc1nc2nonc2nc1N1CCCCC1,0,0.0,
+Nc1nc2sc3c(c2c(=O)s1)CCCC3,0,0.0,
+Nc1nc2sc3c(c2cc1C(=O)N1CCOCC1)CCCC3,0,0.0,
+Nc1ncc(-c2cc3ccccc3oc2=O)s1,0,0.0,
+Nc1ncc(-c2ccccc2)n1CC1CCCO1,0,0.0,
+Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1,1,100.0,0.0
+Nc1ncc(P(=S)(N2CCOCC2)N2CCOCC2)s1,0,0.0,
+Nc1ncc2c(n1)CC(c1ccco1)CC2=O,0,0.0,
+Nc1ncn(C(=O)c2ccco2)n1,0,0.0,
+Nc1ncnc(Nc2ccccc2C(F)(F)F)n1,0,0.0,
+Nc1ncnc2c1CCC2,0,0.0,
+Nc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+Nc1ncnc2c1ncn2C1CCC(CO)C(O)C1,0,0.0,
+Nc1ncnc2c1ncn2CCN1CCOCC1,0,0.0,
+Nc1ncnc2c1ncn2CCNCCc1ccccc1,0,0.0,
+Nc1ncnc2c1ncn2CCOc1ccccc1,0,0.0,
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0,0.0,
+Nc1ncnc2nc(N3CCN(C(=O)c4ccccc4)CC3)[nH]c12,0,0.0,
+Nc1ncnc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)[nH]c12,0,0.0,
+Nc1ncnc2nc(SCCN3CCCCC3)[nH]c12,1,100.0,0.0
+Nc1ncnc2nc(SCCc3ccccc3)[nH]c12,0,0.0,
+Nc1ncnc2nc(SCc3ccccc3)[nH]c12,0,0.0,
+Nc1ncnc2nc(Sc3ccc(Cl)cc3)[nH]c12,0,0.0,
+Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12,0,0.0,
+Nc1nn(S(=O)(=O)c2cccc3nsnc23)cc1-c1ccc(Br)cc1,0,0.0,
+Nc1nnc(-c2cc3ccccc3oc2=O)s1,0,0.0,
+Nc1nnc(-c2ccc(F)cc2)s1,0,0.0,
+Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1,0,0.0,
+Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1,0,0.0,
+Nc1nnc(-c2ccccc2Cl)s1,0,0.0,
+Nc1nnc(-c2cccnc2)s1,0,0.0,
+Nc1nnc(-c2ccco2)s1,0,0.0,
+Nc1nnc(-c2cccs2)s1,0,0.0,
+Nc1nnc(-c2ccncc2)s1,0,0.0,
+Nc1nnc(-c2cn(-c3ccccc3)nc2-c2ccccc2)o1,0,0.0,
+Nc1nnc(C(=O)c2ccccc2N)s1,0,0.0,
+Nc1nnc(C2CCCC2)s1,0,0.0,
+Nc1nnc(CC(=O)N2CCCCC2)s1,0,0.0,
+Nc1nnc(CC(=O)NCc2ccccc2)s1,0,0.0,
+Nc1nnc(CC2=CCCCC2)s1,0,0.0,
+Nc1nnc(CCC2CCCCC2)s1,0,0.0,
+Nc1nnc(CCCCc2cccs2)o1,0,0.0,
+Nc1nnc(CCN2C(=O)CSC2=O)s1,0,0.0,
+Nc1nnc(CCN2CCCCC2)s1,0,0.0,
+Nc1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1,0,0.0,
+Nc1nnc(CCc2ccccc2)s1,0,0.0,
+Nc1nnc(COc2ccc(Br)cc2Br)s1,0,0.0,
+Nc1nnc(COc2cccc(C(F)(F)F)c2)s1,0,0.0,
+Nc1nnc(CSCc2ccc(F)cc2)s1,0,0.0,
+Nc1nnc(CSCc2ccccc2)s1,0,0.0,
+Nc1nnc(CSc2ccc(Cl)cc2)s1,0,0.0,
+Nc1nnc(Cc2c[nH]c3ccccc23)s1,0,0.0,
+Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1,0,0.0,
+Nc1nnc(Cc2ccc(Cl)cc2)s1,0,0.0,
+Nc1nnc(N2CCCCC2)s1,0,0.0,
+Nc1nnc(N2CCCCCC2)s1,0,0.0,
+Nc1nnc(N2CCc3ccccc32)s1,0,0.0,
+Nc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1-c1ccccc1,0,0.0,
+Nc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)s1,0,0.0,
+Nc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1,0,0.0,
+Nc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccccc1,0,0.0,
+Nc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1,0,0.0,
+Nc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-c1ccccc1,0,0.0,
+Nc1nnc(SCC(=O)Nc2ccccc2N2CCOCC2)s1,0,0.0,
+Nc1nnc(SCC(=O)c2ccccc2)s1,0,0.0,
+Nc1nnc(SCCN2C(=O)c3ccccc3S2(=O)=O)s1,1,100.0,
+Nc1nnc(SCCOc2ccc(Br)cc2)s1,0,0.0,
+Nc1nnc(SCCOc2ccccc2)s1,0,0.0,
+Nc1nnc(SCc2cc3c(cc2Cl)OCO3)s1,0,0.0,
+Nc1nnc(SCc2ccc(F)cc2)s1,0,0.0,
+Nc1nnc(SCc2ccc(F)cc2Cl)s1,0,0.0,
+Nc1nnc(SCc2ccc3c(c2)OCO3)s1,0,0.0,
+Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1,0,0.0,
+Nc1nnc(SCc2ccccc2Cl)s1,0,0.0,
+Nc1nnc(SCc2ccccc2F)n1-c1ccccc1,0,0.0,
+Nc1nnc(SCc2cccnc2)s1,0,0.0,
+Nc1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)s1,0,0.0,
+Nc1nnc2c(n1)CCCC2,0,0.0,
+Nc1nncn1C(=O)CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+Nc1nncn1C(=O)CCCOc1ccc(Cl)cc1Cl,0,0.0,
+Nc1nncn1C(=O)c1cc(Br)ccc1Cl,0,0.0,
+Nc1nncn1C(=O)c1ccccc1Cl,0,0.0,
+Nc1nncn1C(=O)c1cccs1,0,0.0,
+Nc1nnn(Cc2ccccc2)n1,0,0.0,
+Nc1nnnn1/N=C/C(Br)=C/c1ccccc1,0,0.0,
+Nc1nnnn1/N=C/C=C/c1ccccc1,0,0.0,
+Nc1nnnn1/N=C/c1cccc(Oc2ccccc2)c1,0,0.0,
+Nc1nnnn1/N=C/c1ccccc1C(F)(F)F,0,0.0,
+Nc1nnnn1/N=C/c1ccccc1OCc1ccccc1,0,0.0,
+Nc1nnnn1/N=C/c1ccccn1,0,0.0,
+Nc1nnnn1/N=C/c1ccco1,0,0.0,
+Nc1nnnn1/N=C/c1cccs1,0,0.0,
+Nc1nnnn1CC(=O)OCc1cccc(Br)c1,0,0.0,
+Nc1nnnn1N=C1CCCCC1,0,0.0,
+Nc1nnnn1NCc1cccc(OCc2ccccc2)c1,0,0.0,
+Nc1nonc1-c1nc2ccccc2[nH]1,0,0.0,
+Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCCCC1,0,0.0,
+Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+Nc1nonc1-c1nc2ccccc2n1CC(=O)NC1CCCC1,0,0.0,
+Nc1nonc1-c1nc2ccccc2n1CCC(=O)O,0,0.0,
+Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1,0,0.0,
+Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1,0,0.0,
+Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1Cl,0,0.0,
+Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1,0,0.0,
+Nc1nonc1-c1noc(-c2ccc(Br)o2)n1,0,0.0,
+Nc1nonc1-c1noc(-c2ccccc2)n1,0,0.0,
+Nc1nonc1-c1noc(-c2ccccc2Br)n1,0,0.0,
+Nc1nonc1-c1noc(CCCCCN2C(=O)c3ccccc3C2=O)n1,0,0.0,
+Nc1nonc1-c1noc(CCCN2C(=O)c3ccccc3C2=O)n1,0,0.0,
+Nc1nonc1-c1noc(COc2ccccc2Cl)n1,0,0.0,
+Nc1nonc1-c1noc(N2CCCCC2)n1,0,0.0,
+Nc1nonc1-c1noc(N2CCOCC2)n1,0,0.0,
+Nc1nonc1-n1nnc(C(=O)O)c1-c1cccs1,0,0.0,
+Nc1nonc1-n1nnc(C(=O)c2ccccc2)c1-c1ccccc1,0,0.0,
+Nc1nonc1-n1nncc1-c1ccccc1,0,0.0,
+Nc1nonc1/C(=N/O)N1CCCC1,0,0.0,
+Nc1nonc1/C(=N/O)N1CCN(CCO)CC1,0,0.0,
+Nc1nonc1C(=Nc1ccccc1)NO,0,0.0,
+Nc1nonc1C(=O)NC(c1ccccc1)c1ccccc1,0,0.0,
+Nc1nonc1C(=O)NCC1CCCO1,0,0.0,
+Nc1nonc1C(=O)NCCN=Cc1cc(Cc2ccccc2)cc(Br)c1O,0,0.0,
+Nc1nonc1C(=O)NCCNC(=O)c1ccccc1F,0,0.0,
+Nc1nonc1C(=O)NCCNC(=O)c1cccs1,0,0.0,
+Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccc(F)cc1,0,0.0,
+Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccccc1F,0,0.0,
+Nc1nonc1C(=O)NCCNCc1ccccc1OCc1ccccc1F,0,0.0,
+Nc1nonc1C(=O)NCCc1ccccc1,0,0.0,
+Nc1nonc1C(=O)OCC(=O)N1CCCCC1,0,0.0,
+Nc1nonc1C(=O)OCC(=O)N1CCOCC1,0,0.0,
+Nc1nonc1N1CCCCC1,0,0.0,
+Nc1nonc1NC(=O)CSc1nc2ccccc2s1,0,0.0,
+Nc1nonc1NC(=O)CSc1ncccc1C(=O)O,0,0.0,
+Nc1nonc1OCCc1ccccc1,0,0.0,
+Nc1nsc2ccccc12,0,0.0,
+Nc1nsnc1C(=O)NCCO,0,0.0,
+Nc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCC2,0,0.0,
+Nc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCCC2,0,0.0,
+Nc1scc(-c2ccncc2)c1Cl,0,0.0,
+Nc1sccc1C(=O)c1ccc(Cl)cc1,0,0.0,
+Nc1sccc1C(=O)c1ccccc1,0,0.0,
+Nn1c(-c2cccc(Br)c2)n[nH]c1=S,0,0.0,
+Nn1c(-c2ccccn2)nnc1-c1ccccn1,1,100.0,0.0
+Nn1c(-c2ccco2)n[nH]c1=S,0,0.0,
+Nn1c(-c2cccs2)nc2sc3c(c2c1=O)CCCC3,1,100.0,0.0
+Nn1c(=O)c2ccccc2n2c(SCc3ccccc3)nnc12,0,0.0,
+Nn1c(CN2CCCCC2)nc2ccccc2c1=O,0,0.0,
+Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)N1CCc2ccccc2C1,0,0.0,
+Nn1c(COc2ccccc2)nc2ccccc2c1=O,0,0.0,
+Nn1c(COc2ccccc2)nnc1SC(F)F,0,0.0,
+Nn1c(COc2ccccc2)nnc1SCC(=O)O,0,0.0,
+Nn1c(COc2ccccc2)nnc1SCc1cc(=O)[nH]c2ccccc12,0,0.0,
+Nn1c(CSc2ccccn2)nc2ccccc2c1=O,0,0.0,
+Nn1c(CSc2nc3ccccc3o2)nnc1CSc1nc2ccccc2o1,0,0.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SC1CCOC1=O,0,0.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NC1CCS(=O)(=O)C1,0,0.0,
+Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+Nn1c(Cc2ccccc2F)nnc1SCn1nnc2ccccc2c1=O,0,0.0,
+Nn1c(Nc2ccccc2)nc2ccccc21,0,0.0,
+Nn1c(Nc2ccccc2)nc2ccccc2c1=O,0,0.0,
+Nn1c(Nc2ccccc2)nc2sc3c(c2c1=O)CCC3,0,0.0,
+Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccccn1,0,0.0,
+Nn1c(SC/C=C/c2ccccc2)nnc1-c1cccnc1,0,0.0,
+Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccco1,0,0.0,
+Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccncc1,0,0.0,
+Nn1c(SCC(=O)N2CCCCC2)nnc1-c1ccncc1,0,0.0,
+Nn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1,0,0.0,
+Nn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1,0,0.0,
+Nn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1Cl,0,0.0,
+Nn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccccc1F,0,0.0,
+Nn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1C1CC1,0,0.0,
+Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(Cl)cc1,0,0.0,
+Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1,0,0.0,
+Nn1c(SCC(=O)NC2CCCCC2)nnc1C1CC1,0,0.0,
+Nn1c(SCC(=O)NC2CCCc3ccccc32)nnc1-c1cccs1,0,0.0,
+Nn1c(SCC(=O)NCCC2=CCCCC2)nnc1C1CCCCC1,0,0.0,
+Nn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1C1CCCCC1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccn1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CCCCC1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1C1CCCCC1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CC1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1C(F)(F)F,0,0.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1C(F)(F)F,0,0.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccncc1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C1CC1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C1CCCCC1,0,0.0,
+Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1C1CCCCC1,0,0.0,
+Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1,0,0.0,
+Nn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O,0,0.0,
+Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1,0,0.0,
+Nn1c(SCc2ccc3c(c2)OCO3)nc2c(cnn2-c2ccccc2)c1=O,0,0.0,
+Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1,0,0.0,
+Nn1c(SCc2cccc3ccccc23)nnc1-c1ccco1,0,0.0,
+Nn1c(SCc2ccccc2)nnc1-c1ccco1,0,0.0,
+Nn1c(SCc2cn3ccsc3n2)nnc1-c1ccncc1,0,0.0,
+Nn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1cccs1,0,0.0,
+Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1,0,0.0,
+Nn1c(SCc2nc3ccccc3[nH]2)nnc1C1CCCCC1,0,0.0,
+Nn1c(SCc2nc3ccccn3c2Br)nnc1-c1cccnc1,0,0.0,
+Nn1cc(-c2ccccc2)nc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+Nn1cc(-c2ccccc2)nc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+Nn1cc(-c2ccccc2)nc1SCC(=O)NC1CCS(=O)(=O)C1,0,0.0,
+Nn1cc(-c2ccccc2)nc1SCC(=O)NCCN1C(=O)CSC1=O,0,0.0,
+Nn1cnn(Cc2ccccc2)c1=S,0,0.0,
+Nn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccccc1,0,0.0,
+Nn1cnnc1SCC(=O)Nc1ccc(C2CCCCC2)cc1,0,0.0,
+Nn1cnnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O/C(=C\Sc1nnc(Cc2ccccc2)o1)c1ccc(Br)cc1,0,0.0,
+O/N=C(/CN(O)/C=C1/C=CC=N1)c1cccs1,0,0.0,
+O/N=C(/Cc1ccccn1)c1ccccc1,0,0.0,
+O/N=C(\COc1ccccc1O)c1ccccc1,0,0.0,
+O/N=C(\Cc1cscn1)c1ccc(O)cc1O,0,0.0,
+O/N=C(\c1ccc(Cl)cc1)c1cc2ccccc2o1,0,0.0,
+O/N=C(\c1ccc2c(c1)OCCO2)C1CCCCC1,0,0.0,
+O/N=C/CCn1c(=S)sc2ccccc21,0,0.0,
+O/N=C/c1c[nH]c2ccccc12,0,0.0,
+O/N=C/c1ccc(OCC(O)COc2ccc(/C=N/O)cc2)cc1,0,0.0,
+O/N=C/c1cccn1-c1ccc(O)cc1,0,0.0,
+O/N=C1/C2C3CC4C5C3C1C5C1(OCCO1)C42,0,0.0,
+O/N=C1/CC/C(=N\O)c2nn(-c3ccccc3)nc21,0,0.0,
+O/N=C1/CCCCC1c1ccccn1,0,0.0,
+O/N=C1/CCCCc2sccc21,0,0.0,
+O/N=C1/CCCSc2ccccc21,0,0.0,
+O/N=C1/CCSc2ccccc21,0,0.0,
+O/N=C1/CCc2cccc3cccc1c23,0,0.0,
+O/N=C1/CCc2nonc2/C1=N/O,0,0.0,
+O/N=C1C(=C\c2ccccc2)/N2CCC/1CC2,0,0.0,
+O/N=C1\CC(O)Cc2nonc21,0,0.0,
+O/N=C1\CC/C(=N\O)c2nn(-c3ccc(Cl)cc3Cl)nc21,0,0.0,
+O/N=C1\CC/C(=N\O)c2nn(-c3ccccc3Cl)nc21,0,0.0,
+O/N=C1\CC2(Cc3nonc31)OCCO2,0,0.0,
+O/N=C1\CCC2CN(C3CCCCC3)CC2C1,0,0.0,
+O/N=C1\CCCCc2ccccc21,0,0.0,
+O/N=C1\CCC\C1=C/c1ccco1,0,0.0,
+O/N=C1\CCCc2oc3c(c21)CCCC3,0,0.0,
+O/N=C1\CCc2cc(Cl)ccc21,0,0.0,
+O=C(/C(=N\O)n1cncn1)c1ccc(Br)cc1Br,0,0.0,
+O=C(/C=C(/NCCO)C(F)(F)F)c1ccccc1,0,0.0,
+O=C(/C=C/N1CCOCC1)c1cc2ccccc2o1,0,0.0,
+O=C(/C=C/N1CCOCC1)c1ccc(-c2ccccc2)cc1,0,0.0,
+O=C(/C=C/N1CCOCC1)c1coc2ccccc12,0,0.0,
+O=C(/C=C/Nc1ccc(F)c(Cl)c1)c1ccco1,0,0.0,
+O=C(/C=C/Nc1ccc(F)cc1)c1ccco1,0,0.0,
+O=C(/C=C/Nc1cccc(O)c1)c1ccccc1,0,0.0,
+O=C(/C=C/Nc1ccccc1Br)c1ccccn1,0,0.0,
+O=C(/C=C/c1ccccc1)c1ccccc1,0,0.0,
+O=C(/C=C1\NC2(CCCC2)Cc2ccccc21)N1CCOCC1,0,0.0,
+O=C(/C=C\Nc1ccc2c(c1)OCO2)c1ccccn1,0,0.0,
+O=C(/C=C\Nc1cccc(F)c1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(/C=C\Nc1ccccn1)c1ccc(Cl)cc1,0,0.0,
+O=C(/C=C\Nc1ccccn1)c1ccccc1,0,0.0,
+O=C(/C=N/O)CCCCCN1CCCCCC1,1,100.0,1.0
+O=C(/C=N/O)NCC1CCNCC1,0,0.0,
+O=C(/C=N/O)NCCCN1CCCCCC1,0,0.0,
+O=C(/C=N/O)NCCCN1CCOCC1,0,0.0,
+O=C(/C=N/O)NCCCn1ccnc1,0,0.0,
+O=C(/C=N/O)NCCN1CCCCC1,0,0.0,
+O=C(/C=N/O)NCc1cccnc1,0,0.0,
+O=C(/C=N/O)NCc1ccncc1,0,0.0,
+O=C(/C=N/O)Nc1ccc(F)cc1,0,0.0,
+O=C(/C=N/O)Nc1ccccc1,0,0.0,
+O=C(/C=N/O)Nc1ccccc1C(=O)O,0,0.0,
+O=C(/C=N/O)Nc1cccnc1,0,0.0,
+O=C(/C=N\O)NCCCNCc1ccccc1,0,0.0,
+O=C(/N=C1\NC(=O)C(F)(C(F)(F)F)S1)NC1CCCCC1,0,0.0,
+O=C(C(Cc1ccccc1)N1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCC1,0,0.0,
+O=C(C(Cc1ccccc1)N1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCCC1,0,0.0,
+O=C(C(Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(C(Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(C(Cc1ccccc1)n1cccc1)N1CCC(N2CCCCC2)CC1,0,0.0,
+O=C(C(Cc1ccccc1)n1cccc1)N1CCCCC1,0,0.0,
+O=C(C(Cc1ccccc1)n1cccc1)N1CCCCCC1,0,0.0,
+O=C(C(Cc1ccccc1)n1cccc1)N1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(C(Cc1ccccc1)n1cccc1)N1CCN(Cc2ccccc2)CC1,1,100.0,1.0
+O=C(C(Cc1ccccc1)n1cccc1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(C(Cc1ccccc1)n1cccc1)N1CCc2ccccc21,0,0.0,
+O=C(C(F)C(F)(F)F)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1)N1CCN(c2ccccn2)CC1,1,100.0,1.0
+O=C(C(NS(=O)(=O)c1cccs1)c1ccccc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C(c1ccccc1)N1CCOCC1)N1CCOCC1,0,0.0,
+O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC(O)COc2ccccc2)CC1,1,100.0,1.0
+O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccn2)CC1,0,0.0,
+O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccncc2)CC1,0,0.0,
+O=C(C(c1ccccc1)c1ccccc1)N1CCOCC1,0,0.0,
+O=C(C/C(=N/O)c1ccccc1O)C(F)F,0,0.0,
+O=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1cccnc1)c1ccco1,0,0.0,
+O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccn1)c1cc2ccccc2o1,0,0.0,
+O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccn1)c1cccs1,0,0.0,
+O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1)c1cccs1,0,0.0,
+O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccn1)c1cccs1,0,0.0,
+O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccnc1)c1cc2ccccc2o1,0,0.0,
+O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccs1)c1cc2ccccc2o1,0,0.0,
+O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccncc1)c1ccco1,0,0.0,
+O=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccs1)c1cccs1,0,0.0,
+O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccnc1)c1ccco1,0,0.0,
+O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccnc1)c1ccco1,0,0.0,
+O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccncc1)c1ccco1,0,0.0,
+O=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1cccnc1)c1cc2ccccc2o1,0,0.0,
+O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1ccc(Cl)c(Cl)c1)c1ccco1,0,0.0,
+O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1cccc(Cl)c1)c1ccco1,0,0.0,
+O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1cccs1)c1ccco1,0,0.0,
+O=C(C1=COCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(C1=COCCO1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1,0,0.0,
+O=C(C1CC(=O)N(C2CCCC2)C1)N1CCC(Cc2ccccc2)CC1,0,0.0,
+O=C(C1CC(=O)N(C2CCCC2)C1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(C1CC(=O)N(C2CCCCC2)C1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(C1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(C1CC(=O)N(c2ccccc2)C1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,0,0.0,
+O=C(C1CC(c2ccc(Cl)c(Cl)c2)=NO1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCCC1,0,0.0,
+O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCc2ccccc2C1,0,0.0,
+O=C(C1CC(c2ccccc2O)=NO1)N1CCCC1,0,0.0,
+O=C(C1CC1(c1ccccc1)c1ccccc1)N1CCOCC1,0,0.0,
+O=C(C1CC1)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+O=C(C1CC1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1,0,0.0,
+O=C(C1CC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)NCC4CCCO4)cc3)no2)CC1,0,0.0,
+O=C(C1CC1)N1CCCN(C(=O)C2CC2)CC1,0,0.0,
+O=C(C1CC1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+O=C(C1CC1)N1CCN=C1SCc1ccc(Cl)cc1,0,0.0,
+O=C(C1CC1)N1CCN=C1SCc1ccc(F)cc1,0,0.0,
+O=C(C1CC1)N1CCN=C1SCc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(C1CC1)N1CCN=C1SCc1cccc(F)c1,0,0.0,
+O=C(C1CC1)N1CCN=C1SCc1ccccc1,0,0.0,
+O=C(C1CC1)N1CCN=C1SCc1ccccc1Cl,0,0.0,
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCCC3)c21,0,0.0,
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)c21,0,0.0,
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCOCC3)c21,0,0.0,
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC3CCCCC3)c21,0,0.0,
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCC3COc4ccccc4O3)c21,0,0.0,
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCCC3)c21,0,0.0,
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCOCC3)c21,0,0.0,
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c21,0,0.0,
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccccn3)c21,0,0.0,
+O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccco3)c21,0,0.0,
+O=C(C1CC1)N1CCc2cc(S(=O)(=O)N(CCO)Cc3ccccc3)ccc21,0,0.0,
+O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21,0,0.0,
+O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0.0,
+O=C(C1CC1)N1CCc2cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)ccc21,0,0.0,
+O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCC3COc4ccccc4O3)ccc21,0,0.0,
+O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21,0,0.0,
+O=C(C1CC1)n1cc(C(=S)N2CCOCC2)c2ccccc21,0,0.0,
+O=C(C1CC1c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(C1CC2CCC1C2)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(C1CCC(=O)N1C1CCCCC1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(C1CCC(=O)N1C1CCCCC1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(C1CCC(=O)N1Cc1ccc(F)cc1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(C1CCC(=O)N1Cc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(C1CCC(=O)N1Cc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(C1CCC(=O)N1Cc1cccnc1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(C1CCC(C(=O)N2CCCC2)CC1)N1CCCC1,0,0.0,
+O=C(C1CCC(C(=O)N2CCCCC2)CC1)N1CCCCC1,0,0.0,
+O=C(C1CCC(C(=O)N2CCc3ccccc32)CC1)N1CCc2ccccc21,0,0.0,
+O=C(C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1)N1CCCC1,0,0.0,
+O=C(C1CCC(CNS(=O)(=O)c2cccs2)CC1)N1CCCCC1,0,0.0,
+O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCCCC1,0,0.0,
+O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCc2ccccc2C1,0,0.0,
+O=C(C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C1CCC(CNc2nc(=S)[nH]c3ccccc23)CC1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1)N1CCOCC1,0,0.0,
+O=C(C1CCC(N2C(=O)C3CC=CCC3C2=O)CC1)N1CCCCC1,0,0.0,
+O=C(C1CCC1)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+O=C(C1CCC1)N1CCC(c2nc3c(nnn3Cc3c(F)cccc3Cl)c(=O)[nH]2)CC1,0,0.0,
+O=C(C1CCC1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,0,0.0,
+O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21,0,0.0,
+O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21,1,100.0,0.0
+O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCC3COc4ccccc4O3)ccc21,0,0.0,
+O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)ccc21,0,0.0,
+O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3cccnc3)ccc21,0,0.0,
+O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21,0,0.0,
+O=C(C1CCC1)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21,0,0.0,
+O=C(C1CCC1)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21,0,0.0,
+O=C(C1CCCC1)N(c1ccccc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(C1CCCCC1)N(CCN1CCCC1)c1nc2ccccc2s1,1,100.0,0.0
+O=C(C1CCCCC1)N(Cc1ccccc1)c1ccccn1,0,0.0,
+O=C(C1CCCCC1)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Cc1cccs1,0,0.0,
+O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,0,0.0,
+O=C(C1CCCCC1)N1CCC(c2nc3c(nnn3Cc3c(F)cccc3Cl)c(=O)[nH]2)CC1,0,0.0,
+O=C(C1CCCCC1)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)CC1,0,0.0,
+O=C(C1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1,0,0.0,
+O=C(C1CCCCC1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1,0,0.0,
+O=C(C1CCCCC1)N1CCCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)C1,0,0.0,
+O=C(C1CCCCC1)N1CCCn2c1nc1ccccc12,0,0.0,
+O=C(C1CCCCC1)N1CCN(C(=O)C2CCCCC2)CC1,0,0.0,
+O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,0,0.0,
+O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(C1CCCCC1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(C1CCCCC1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(C1CCCCC1)N1CCN=C1SCc1cccnc1,0,0.0,
+O=C(C1CCCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(C1CCCN(Cc2ccc3c(c2)OCO3)C1)N1CCCC1,0,0.0,
+O=C(C1CCCN(Cc2ccccc2Br)C1)N1CCCCC1,1,100.0,1.0
+O=C(C1CCCN(Cc2cccnc2)C1)N1CCCCC1,0,0.0,
+O=C(C1CCCN(Cc2cccs2)C1)N1CCCCCC1,0,0.0,
+O=C(C1CCCN(Cc2ccncc2)C1)N1CCc2ccccc2C1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCCCC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCc2ccccc21,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCCCCC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N(Cc1cccs1)C1CC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N(Cc1cccs1)C1CC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1)N1CCc2ccccc21,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccc3nonc23)C1)N1CCC(Cc2ccccc2)CC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CC=C(c2ccccc2)CC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCc2ccccc21,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCc2ccccc2C1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCCCC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCc2ccccc21,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccnc2)C1)N1CCn2c1nc1ccccc12,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCC(N2CCCCC2)CC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCc2ccccc2C1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)N(CCc1ccccc1)Cc1ccccc1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)N1CC(=O)N(CCc2ccccc2)C(=O)C1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(C1CCCN(c2ncccn2)C1)N1CCc2ccccc21,0,0.0,
+O=C(C1CCCN(c2nnc(-n3cccc3)s2)C1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(C1CCCN(c2nnc(-n3cccc3)s2)C1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C1CCCN1C(=O)c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(C1CCCN1C(=O)c1cccs1)N1CCc2ccccc21,0,0.0,
+O=C(C1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1,0,0.0,
+O=C(C1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1,0,0.0,
+O=C(C1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1,0,0.0,
+O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc21,0,0.0,
+O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc2C1,0,0.0,
+O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCn2c1nc1ccccc12,0,0.0,
+O=C(C1CCCO1)N(Cc1ccccc1)c1ccccc1,0,0.0,
+O=C(C1CCCO1)N(c1cccc(Cl)c1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(C1CCCO1)N1CCC(O)(c2ccccc2)CC1,0,0.0,
+O=C(C1CCCO1)N1CCC(c2nc3ccccc3[nH]2)CC1,0,0.0,
+O=C(C1CCCO1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(C1CCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(C1CCCO1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1,0,0.0,
+O=C(C1CCCO1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+O=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(C1CCCO1)N1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCC3)CC1,1,100.0,0.0
+O=C(C1CCCO1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(C1CCCO1)N1CCc2ccccc21,0,0.0,
+O=C(C1CCN(C2CC(=O)N(Cc3ccccc3)C2=O)CC1)N1CCCCCC1,0,0.0,
+O=C(C1CCN(C2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1)N1CCOCC1,0,0.0,
+O=C(C1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCOCC1,0,0.0,
+O=C(C1CCN(C2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1)N1CCCC1,0,0.0,
+O=C(C1CCN(C2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1)N1CCCCCC1,0,0.0,
+O=C(C1CCN(Cc2cc(Cl)ccc2O)CC1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(C1CCN(Cc2ccc(F)cc2)CC1)N(CCO)Cc1ccccc1,0,0.0,
+O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCCc2ccccc21,0,0.0,
+O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)N1CCC(Cc2ccccc2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)N1CCOCC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)N1CCc2ccccc2C1,0,0.0,
+O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCOCC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCc2ccccc21,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCc2ccccc21,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CC=C(c2ccccc2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCc2ccccc21,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CC=C(c2ccccc2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCCC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(C2CCCC2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCc2ccccc21,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCn2c1nc1ccccc12,1,100.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CC=C(c2ccccc2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCCc2ccccc21,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCc2ccccc21,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCc2ccccc2C1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCn2c1nc1ccccc12,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(CCc1ccccc1)Cc1ccco1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(C2CCCC2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2ccccc2Cl)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCCC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCc2ccccc2C1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)N1CCc2ccccc2C1,0,0.0,
+O=C(C1CCN(c2ccc(N3CCOCC3)nn2)CC1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(C1CCN(c2ccc(N3CCOCC3)nn2)CC1)N1CCc2ccccc2C1,0,0.0,
+O=C(C1CCN(c2nc3ccc(Br)cc3s2)CC1)N1CCC2(CC1)OCCO2,1,100.0,
+O=C(C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1)N1CCOCC1,0,0.0,
+O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCOCC1,0,0.0,
+O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCc2ccccc2C1,0,0.0,
+O=C(C1CCN(c2nnc(N3CCCC3=O)s2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(C1CCN(c2nnnn2-c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCCCCC1,0,0.0,
+O=C(C1COc2ccccc2O1)N1CCCC1,0,0.0,
+O=C(C1COc2ccccc2O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(C1COc2ccccc2O1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(C1COc2ccccc2O1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(C1COc2ccccc2O1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(C1COc2ccccc2O1)N1CCOCC1,0,0.0,
+O=C(C1COc2ccccc2O1)N1CCc2ccccc21,0,0.0,
+O=C(C1COc2ccccc2O1)N1CCn2c(nc3ccccc32)C1,0,0.0,
+O=C(C1CSC2(c3ccc(F)cc3)CCC(=O)N12)N1CCCCCC1,0,0.0,
+O=C(C1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCCCC1,0,0.0,
+O=C(C1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCCCCC1,0,0.0,
+O=C(C1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCCCC1,0,0.0,
+O=C(C1Cc2ccccc2O1)N1CCCCC1,0,0.0,
+O=C(C1c2ccccc2C(=O)N2CCc3ccccc3C12)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CC(=O)N1CCN(c2ccccn2)CC1)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3,0,0.0,
+O=C(CC(=O)NCc1cccnc1)NCc1cccnc1,0,0.0,
+O=C(CC(=O)Nc1ccccn1)Nc1ccccn1,0,0.0,
+O=C(CC(=O)c1cc(Cl)ccc1O)c1ccccc1,0,0.0,
+O=C(CC(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CC(=O)c1ccccc1O)c1cccc(F)c1,0,0.0,
+O=C(CC(C(=O)N1CCc2ccccc21)n1ccnc1)N1CCc2ccccc2C1,0,0.0,
+O=C(CC(C(=O)N1CCc2ccccc21)n1ccnc1)NCC1CCCO1,0,0.0,
+O=C(CC(C(=O)N1CCc2ccccc21)n1ccnc1)NCc1cccnc1,0,0.0,
+O=C(CC(C(=O)O)C1CCCO1)NCCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CC(C(=O)O)C1CCCO1)NCc1ccccc1,0,0.0,
+O=C(CC(C(=O)O)C1CCCO1)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CC(C(=O)O)N1CCOCC1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(CC(CC(=O)c1ccccc1)C(=O)O)c1ccccc1,0,0.0,
+O=C(CC(Cc1ccccc1)C(=O)O)NCCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CC(NCCN1CCOCC1)C(=O)O)Nc1cccc(Cl)c1,0,0.0,
+O=C(CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCc1cccnc1,0,0.0,
+O=C(CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCc1ccco1,0,0.0,
+O=C(CC(Nc1ccc(F)cc1)C(=O)O)c1ccccc1,0,0.0,
+O=C(CC(Nc1ccccc1)C(=O)O)c1ccccc1,0,0.0,
+O=C(CC(O)(c1ccccc1)C(F)(F)C(F)F)c1cccs1,0,0.0,
+O=C(CC(SCCO)c1ccc(F)cc1)c1ccco1,0,0.0,
+O=C(CC(SCCO)c1ccc2c(c1)OCO2)c1ccco1,0,0.0,
+O=C(CC(SCCO)c1ccc2c(c1)OCO2)c1cccs1,0,0.0,
+O=C(CC(SCc1ccco1)c1ccc(O)cc1)c1cccs1,0,0.0,
+O=C(CC(Sc1ccccc1)c1cccs1)c1ccco1,0,0.0,
+O=C(CC(c1ccc(F)cc1)c1ccco1)N1CCCC1,0,0.0,
+O=C(CC(c1ccc(F)cc1)c1ccco1)N1CCOCC1,0,0.0,
+O=C(CC(c1ccccc1)c1cc(Br)ccc1O)NCCN1CCOCC1,0,0.0,
+O=C(CC(c1ccccc1)c1cc(Br)ccc1O)NCc1ccco1,0,0.0,
+O=C(CC(c1ccccc1)c1cc(Cl)ccc1O)N1CCOCC1,1,100.0,0.0
+O=C(CC(c1ccccc1)c1ccccc1)NCCO,0,0.0,
+O=C(CC(c1ccccc1)c1ccccc1)Nc1ncn[nH]1,0,0.0,
+O=C(CC(c1ccccc1)c1ccccc1O)NCCN1CCOCC1,0,0.0,
+O=C(CC(c1ccccc1)c1ccco1)N1CCOCC1,0,0.0,
+O=C(CC(c1ccccc1O)N1CCCCC1)N1CCCCC1,1,100.0,1.0
+O=C(CC(c1ccco1)C1CCCCC1=O)c1ccco1,0,0.0,
+O=C(CC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1,0,0.0,
+O=C(CC1(C(F)(F)F)OCCO1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CC1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccccn1,1,100.0,
+O=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccc1O,0,0.0,
+O=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccco1,0,0.0,
+O=C(CC1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1,0,0.0,
+O=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccncc1,0,0.0,
+O=C(CC1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccco1,0,0.0,
+O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc2c(c1)OCO2,0,0.0,
+O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(-n2cccc2)cc1,0,0.0,
+O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc2c(c1)OCO2,0,0.0,
+O=C(CC1(O)C(=O)Nc2ccccc21)c1ccccc1,0,0.0,
+O=C(CC1(O)C(=O)Nc2ccccc21)c1cccnc1,0,0.0,
+O=C(CC12CC3CC(C1)CC(CC(=O)N1CCCC1)(C3)C2)N1CCCC1,0,0.0,
+O=C(CC12CC3CC(C1)CC(CC(=O)NC1=NCCS1)(C3)C2)NC1=NCCS1,0,0.0,
+O=C(CC12CC3CC(CC(C3)C1)C2)N1CCCOC1,0,0.0,
+O=C(CC12CC3CC(CC(C3)C1)C2)N1CCOCC1,0,0.0,
+O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCCC1,0,0.0,
+O=C(CC12CC3CC(CC(C3)C1)C2)NCCN1CCOCC1,0,0.0,
+O=C(CC12CC3CC(CC(C3)C1)C2)NCO,0,0.0,
+O=C(CC12CC3CC(CC(C3)C1)C2)Nn1cnnc1,0,0.0,
+O=C(CC1=NC2(CCCC2)Cc2ccccc21)N1CCOCC1,0,0.0,
+O=C(CC1=NCCNC(c2ccccc2)C1)c1ccccc1O,0,0.0,
+O=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CC1C(=O)NCCN1C(=O)c1ccc(F)cc1)OCc1ccccc1,0,0.0,
+O=C(CC1C(=O)OCN1C(=O)OCc1ccccc1)OCC(=O)c1ccccc1,0,0.0,
+O=C(CC1CC2CCC1C2)NCc1cccs1,0,0.0,
+O=C(CC1CCCC1)NCCc1cn2ccccc2n1,0,0.0,
+O=C(CC1CCCC1)Nc1nc2ccccc2[nH]1,0,0.0,
+O=C(CC1CCCC1)Nc1nnc(C2CC2)s1,0,0.0,
+O=C(CC1CCCC1)OCn1nnc2ccccc2c1=O,0,0.0,
+O=C(CC1CCCCC1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CC1CCCCC1)NC1CCCC1,0,0.0,
+O=C(CC1CCCCC1)NCC1CCCO1,0,0.0,
+O=C(CC1CCCCC1)NCCCN1CCOCC1,0,0.0,
+O=C(CC1CCCCC1)NCc1ccccn1,0,0.0,
+O=C(CC1CCCCC1)NCc1cn2ccsc2n1,0,0.0,
+O=C(CC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2,0,0.0,
+O=C(CC1CCCCC1)OCn1nnc2ccccc2c1=O,0,0.0,
+O=C(CC1CCCCC1)c1c(O)c2ccccc2oc1=O,0,0.0,
+O=C(CC1CCS(=O)(=O)C1)NC1CCCCC1,0,0.0,
+O=C(CC1CCS(=O)(=O)C1)Nc1ccc[nH]c1=O,0,0.0,
+O=C(CC1COc2ccccc2O1)NC1CCCCC1,0,0.0,
+O=C(CC1COc2ccccc2O1)NCc1ccccc1,0,0.0,
+O=C(CC1COc2ccccc2O1)Nc1ccccn1,0,0.0,
+O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1ccco1,0,0.0,
+O=C(CC1NC(=O)NC1=O)NC1(C(=O)NC2CCCCC2)CCCCC1,0,0.0,
+O=C(CC1NC(=O)NC1=O)Nc1cccc2ccccc12,0,0.0,
+O=C(CC1NC2CCCCC2NC1=O)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CC1NC2CCCCC2NC1=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CC1NCCNC1=O)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+O=C(CC1NCCNC1=O)OCCCc1ccccc1,0,0.0,
+O=C(CC1NCCNC1=O)OCc1ccccc1,0,0.0,
+O=C(CC1Nc2ccccc2NC1=O)NC1CCCCC1,0,0.0,
+O=C(CC1Nc2ccccc2NC1=O)NCC1COc2ccccc2O1,0,0.0,
+O=C(CC1Nc2ccccc2NC1=O)NCCCN1CCCCCC1,0,0.0,
+O=C(CC1Nc2ccccc2NC1=O)NCc1cccnc1,1,100.0,
+O=C(CC1Nc2ccccc2NC1=O)Nc1ccccc1,0,0.0,
+O=C(CC1Nc2ccccc2NC1=O)c1ccccc1,0,0.0,
+O=C(CC1OC(=O)c2ccccc21)NC1CCCCC1,0,0.0,
+O=C(CC1OC(=O)c2ccccc21)Nc1ccccc1N1CCOCC1,0,0.0,
+O=C(CC1OC(=O)c2ccccc21)c1ccco1,0,0.0,
+O=C(CC1Oc2ccc(Cl)cc2NC1=O)NC1CCCCCC1,0,0.0,
+O=C(CC1Oc2ccccc2NC1=O)NC1CC1,1,100.0,0.0
+O=C(CC1Oc2ccccc2NC1=O)NC1CCCC1,0,0.0,
+O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCCC1=O,0,0.0,
+O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCCCCC1,0,0.0,
+O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCOCC1,0,0.0,
+O=C(CC1Oc2ccccc2NC1=O)NCCc1ccccc1,0,0.0,
+O=C(CC1Oc2ccccc2NC1=O)NCc1ccc(Cl)cc1,0,0.0,
+O=C(CC1Oc2ccccc2NC1=O)NCc1ccccc1,0,0.0,
+O=C(CC1SC(=NC2CCCCC2)NC1=O)Nc1ccccc1,0,0.0,
+O=C(CC1SC(=Nc2ccccc2)N(CCCCO)C1=O)NCc1ccccc1,0,0.0,
+O=C(CC1SC(=Nc2ccccc2)N(CCCO)C1=O)Nc1ccc(Cl)cc1,0,0.0,
+O=C(CC1SC(=O)N(c2ccccc2)C1=O)Nc1ccccc1,0,0.0,
+O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)O)c1,0,0.0,
+O=C(CC1SC2=NCCN2C1=O)Nc1ccc(Br)cc1,0,0.0,
+O=C(CC1SC2=NCCN2C1=O)Nc1ccc(Cl)cc1,0,0.0,
+O=C(CC1SC2=NCCN2C1=O)Nc1ccccc1,0,0.0,
+O=C(CC1SCCNC1=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CC1SCCNC1=O)Nc1cccc(Cl)c1,0,0.0,
+O=C(CC1Sc2ccccc2NC1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,0,0.0,
+O=C(CC1Sc2ccccc2NC1=O)Nc1cccc(C(=O)O)c1,0,0.0,
+O=C(CC1Sc2ccccc2NC1=O)OCC(=O)N1CCc2ccccc21,0,0.0,
+O=C(CC1Sc2ncnn2C1=O)Nc1ccc(Br)cc1,0,0.0,
+O=C(CC1c2ccccc2Oc2ccccc21)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CC1c2ccccc2Oc2ccccc21)NCc1ccco1,0,0.0,
+O=C(CCC(=O)CCN1CCCCC1)CCN1CCCCC1,0,0.0,
+O=C(CCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1,0,0.0,
+O=C(CCC(=O)N(CC(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2)Nc1ccccn1,0,0.0,
+O=C(CCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccco1)Nc1nccs1,0,0.0,
+O=C(CCC(=O)N(CC(=O)NC1CCCCC1)c1ccc2c(c1)OCO2)Nc1ccccn1,0,0.0,
+O=C(CCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1ccncc1)Nc1cccnc1,0,0.0,
+O=C(CCC(=O)N(c1cccc(F)c1)C(C(=O)NC1CCCC1)c1ccncc1)Nc1cccnc1,0,0.0,
+O=C(CCC(=O)N1CCC2(CC1)OCCO2)Nc1nnc(C(F)(F)F)s1,0,0.0,
+O=C(CCC(=O)N1CCCC1)Nc1nnc(C(F)(F)F)s1,0,0.0,
+O=C(CCC(=O)N1CCCC1)Nc1nnc(C2CCCCC2)s1,0,0.0,
+O=C(CCC(=O)N1CCCc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(CCC(=O)N1CCN(C2CCCC2)CC1)Nc1nnc(C(F)(F)F)s1,0,0.0,
+O=C(CCC(=O)N1CCN(C2CCCCC2)CC1)Nc1nnc(C(F)(F)F)s1,0,0.0,
+O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NC1CCCc2ccccc21,0,0.0,
+O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1,0,0.0,
+O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1nnc(C2CCCCC2)s1,0,0.0,
+O=C(CCC(=O)N1CCc2ccccc21)N1CCc2ccccc21,0,0.0,
+O=C(CCC(=O)N1CCc2ccccc21)Nc1ccccc1,0,0.0,
+O=C(CCC(=O)N1CCc2ccccc2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(CCC(=O)NC1CC1)Nc1nnc(C2CCCCC2)s1,0,0.0,
+O=C(CCC(=O)NC1CCN(Cc2ccccc2)CC1)NCc1ccco1,0,0.0,
+O=C(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NCCO,0,0.0,
+O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCc1cccs1,0,0.0,
+O=C(CCC(=O)OCC(=O)c1ccccc1)NC1CCCCC1,0,0.0,
+O=C(CCC(=O)OCC(F)(F)C(F)F)NCc1ccccc1,0,0.0,
+O=C(CCC(=O)OCC(F)(F)C(F)F)Nc1ccc(Cl)cc1,0,0.0,
+O=C(CCC(=O)OCCCC(F)(F)C(F)(F)F)NC1CCCCC1,1,100.0,0.0
+O=C(CCC(=O)OCCCC(F)(F)C(F)(F)F)Nc1ccccc1,0,0.0,
+O=C(CCC(=O)c1ccc(F)cc1)OC1CCOC1=O,0,0.0,
+O=C(CCC(=O)c1ccc[nH]1)c1ccc(Cl)cc1,0,0.0,
+O=C(CCC(=O)c1cccs1)NCCCN1CCCC1=O,0,0.0,
+O=C(CCC(=O)c1cccs1)NCc1ccccc1,0,0.0,
+O=C(CCC(=O)c1cccs1)Nc1ccccc1F,0,0.0,
+O=C(CCC(=O)c1cccs1)Nc1nnc(C2CC2)s1,0,0.0,
+O=C(CCC(=O)c1cccs1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(CCC(=O)c1cccs1)OCC(=O)c1ccc(Cl)s1,0,0.0,
+O=C(CCC(=O)c1cccs1)OCc1nc2ccccc2s1,0,0.0,
+O=C(CCC(=O)c1cccs1)OCc1nnc(-c2ccccc2)o1,0,0.0,
+O=C(CCC1(C(=O)O)CCC(=O)NC1)NCc1ccccc1,0,0.0,
+O=C(CCC1=NS(=O)(=O)c2ccccc2N1)NC1CCCCCCC1,0,0.0,
+O=C(CCC1CC(=O)Nc2ccccc21)NCc1cccnc1,0,0.0,
+O=C(CCC1CCCC1)N1CCC(N2CCN(c3ccccc3)CC2)CC1,0,0.0,
+O=C(CCC1CCCC1)N1CCN(C(=O)C2CC2)CC1,0,0.0,
+O=C(CCC1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1,0,0.0,
+O=C(CCC1CCCC1)N1CCN(C(=O)c2cccnc2)CC1,0,0.0,
+O=C(CCC1CCCC1)N1CCN(C(=O)c2ccco2)CC1,1,100.0,0.0
+O=C(CCC1CCCC1)N1CCN(C2CCCC2)CC1,0,0.0,
+O=C(CCC1CCCC1)NCc1ccccn1,0,0.0,
+O=C(CCC1CCCC1)Nc1ccc(Br)cn1,0,0.0,
+O=C(CCC1CCCC1)Nc1ccon1,0,0.0,
+O=C(CCC1CCCC1)c1c(O)c2ccccc2oc1=O,1,100.0,
+O=C(CCC1CCCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(CCC1CCCCC1)NCc1ccncc1,0,0.0,
+O=C(CCC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2,0,0.0,
+O=C(CCC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)C[S+]([O-])C2,0,0.0,
+O=C(CCC1CCCCC1)Nc1c[nH]c(=O)[nH]c1=O,0,0.0,
+O=C(CCC1CCCCC1)Nc1ccccc1O,0,0.0,
+O=C(CCC1CCCCC1)Nc1ncn[nH]1,0,0.0,
+O=C(CCC1CCCCC1=O)c1ccccc1,0,0.0,
+O=C(CCC1COc2ccccc2O1)N1CCCC1,0,0.0,
+O=C(CCC1COc2ccccc2O1)NCC1COc2ccccc2O1,0,0.0,
+O=C(CCC1COc2ccccc2O1)Nc1ccc(Cl)cn1,0,0.0,
+O=C(CCC1COc2ccccc2O1)Nc1ccccn1,0,0.0,
+O=C(CCC1COc2ccccc2O1)Nc1cccnc1,0,0.0,
+O=C(CCC1COc2ccccc2O1)Nc1ncccc1O,0,0.0,
+O=C(CCC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1ccco1,0,0.0,
+O=C(CCC1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCc1ccco1,0,0.0,
+O=C(CCC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCc1ccco1,0,0.0,
+O=C(CCCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1,0,0.0,
+O=C(CCCC(=O)N(CC(=O)NC1CCCC1)Cc1ccc(F)cc1)Nc1ccccn1,0,0.0,
+O=C(CCCC(=O)N(CC(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2)Nc1ccccn1,0,0.0,
+O=C(CCCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1)Nc1ccccn1,0,0.0,
+O=C(CCCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl)Nc1ccccn1,0,0.0,
+O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)CC1CCCO1)Nc1ccccn1,0,0.0,
+O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccc2c(c1)OCO2)Nc1ccccn1,0,0.0,
+O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccco1)Nc1ccccn1,0,0.0,
+O=C(CCCC(=O)N1CCCc2ccccc21)N1CCCc2ccccc21,0,0.0,
+O=C(CCCC(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CCCC(=O)N1CCc2ccccc21)N1CCc2ccccc21,0,0.0,
+O=C(CCCC(=O)NCC1CCCO1)NCC1CCCO1,0,0.0,
+O=C(CCCC(=O)Nc1cccnc1)Nc1cccnc1,0,0.0,
+O=C(CCCC(=O)OCC(=O)NC1CCCC1)Nc1ccccn1,0,0.0,
+O=C(CCCC(=O)OCC(F)(F)C(F)F)Nc1nccs1,0,0.0,
+O=C(CCCC(=O)OCC1CCCO1)OCC1CCCO1,0,0.0,
+O=C(CCCC(=O)n1cnc2ccccc21)n1cnc2ccccc21,0,0.0,
+O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CCCCC(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CCCCC(=O)NCc1cccs1)NCc1cccs1,0,0.0,
+O=C(CCCCCC(=O)N(CCO)CCO)N(CCO)CCO,0,0.0,
+O=C(CCCCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1nccs1,0,0.0,
+O=C(CCCCCN1C(=O)CCC1=O)NCc1ccccc1,1,100.0,
+O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc(Br)cc1F,0,0.0,
+O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCCCCN1C(=O)CCC1=O)Nc1ncn[nH]1,0,0.0,
+O=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCCC1,0,0.0,
+O=C(CCCCCN1C(=O)c2ccccc2C1=O)NCCc1nc2ccccc2[nH]1,0,0.0,
+O=C(CCCCCN1C(=O)c2ccccc2C1=O)NCc1ccccn1,0,0.0,
+O=C(CCCCCN1C(=O)c2ccccc2C1=O)NCc1ccco1,0,0.0,
+O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,0,0.0,
+O=C(CCCCCNS(=O)(=O)c1ccc(Br)cc1)NCCN1CCOCC1,0,0.0,
+O=C(CCCCCNc1nc(=S)[nH]c2ccccc12)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCCCN1CCN(c2ccccc2F)CC1,1,100.0,0.0
+O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCCCC1,0,0.0,
+O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1,0,0.0,
+O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(C2CCCCC2)CC1,1,100.0,
+O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CCCCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O)NCc1ccco1,0,0.0,
+O=C(CCCCCn1c(SCc2ccncc2)nc2ccccc2c1=O)NCc1ccco1,0,0.0,
+O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCCC1=CCCCC1,0,0.0,
+O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1c[nH]c2ccccc12,0,0.0,
+O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)NCC1CCCO1,0,0.0,
+O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccnc1,0,0.0,
+O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NC1CCCC1,0,0.0,
+O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NCc1ccco1,0,0.0,
+O=C(CCCCn1c(=S)[nH]c2ccsc2c1=O)NCc1ccco1,0,0.0,
+O=C(CCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CCCN1C(=O)CCC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1,0,0.0,
+O=C(CCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCCN1C(=O)CCC1=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CCCN1C(=O)CSc2ncccc21)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CCCN1C(=O)CSc2ncccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1,1,100.0,1.0
+O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(c2ccccc2)C1,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)NC1=NCCS1,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)NCCC1=CCCCC1,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)NCCCN1CCOCC1,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cccnc1,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1c2c(nc3c1CCC3)CCC2,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cn1,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCOCC1,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccn1,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nncs1,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2,0,0.0,
+O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1ccc(F)cc1,0,0.0,
+O=C(CCCN1C(=O)c2cccnc2C1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1,0,0.0,
+O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,0,0.0,
+O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,0,0.0,
+O=C(CCCN1CCC(c2ccccc2)C1)c1ccc2c(c1)OCCO2,1,100.0,1.0
+O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1,1,100.0,
+O=C(CCCN1CCOCC1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCCN1Cc2ccccc2C1)c1ccc(F)cc1,0,0.0,
+O=C(CCCN=C1NS(=O)(=O)c2ccccc21)OCC(=O)N1CCc2ccccc21,0,0.0,
+O=C(CCCNS(=O)(=O)c1ccc(Br)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1,0,0.0,
+O=C(CCCNS(=O)(=O)c1cccc2nsnc12)N1CCCCC1,0,0.0,
+O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NC1CCCCC1,0,0.0,
+O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NCCc1ccccc1,0,0.0,
+O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NCc1ccc(Cl)cc1,0,0.0,
+O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NCc1ccc(F)cc1,0,0.0,
+O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NCc1ccccc1,0,0.0,
+O=C(CCCNS(=O)(=O)c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CCCNS(=O)(=O)c1cccs1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CCCNS(=O)(=O)c1cccs1)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(CCCNS(=O)(=O)c1cccs1)N1CCc2ccccc2C1,0,0.0,
+O=C(CCCOc1ccc(Cl)cc1)N1CCCCCC1,0,0.0,
+O=C(CCCOc1ccc(Cl)cc1)N1CCOCC1,0,0.0,
+O=C(CCCOc1ccc(Cl)cc1)Nc1nncs1,0,0.0,
+O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCCOc1ccc(Cl)cc1Cl)NCCCO,0,0.0,
+O=C(CCCOc1ccccc1)N1CCCc2ccccc21,0,0.0,
+O=C(CCCOc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CCCOc1ccccc1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCCOc1ccccc1)N1CCc2ccccc2C1,0,0.0,
+O=C(CCCOc1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(CCCOc1ccccc1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCCOc1ccccc1)Nc1cccc(C(=O)O)c1,0,0.0,
+O=C(CCCOc1ccccc1)Nc1ccncc1,0,0.0,
+O=C(CCCOc1ccccc1)Nc1nccs1,0,0.0,
+O=C(CCCOc1ccccc1)Nc1nnc(C2CCCO2)s1,0,0.0,
+O=C(CCCOc1ccccc1)Nc1nncs1,0,0.0,
+O=C(CCCOc1ccccc1)n1nnc2ccccc21,0,0.0,
+O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1cccs1,0,0.0,
+O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCCSc1nc2ccccc2[nH]1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CCCSc1nc2ccccc2[nH]1)NC1=NCCS1,1,100.0,
+O=C(CCCSc1nc2ccccc2[nH]1)NCc1ccco1,0,0.0,
+O=C(CCCSc1nc2ccccc2[nH]1)Nc1nnc(-c2ccccc2)o1,0,0.0,
+O=C(CCCSc1nc2ccccc2s1)NC1=NCCS1,0,0.0,
+O=C(CCCSc1nc2ccccc2s1)NCc1ccco1,0,0.0,
+O=C(CCCSc1nc2ccccc2s1)Nc1nccs1,1,100.0,0.0
+O=C(CCCSc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCCCO,0,0.0,
+O=C(CCCSc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCCO,0,0.0,
+O=C(CCCSc1nnc(-c2cccs2)n1CC1CCCO1)c1ccccc1,0,0.0,
+O=C(CCCc1c[nH]c2ccccc12)N1CCCCCC1,0,0.0,
+O=C(CCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(CCCc1c[nH]c2ccccc12)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0.0,
+O=C(CCCc1c[nH]c2ccccc12)N1CCOCC1,0,0.0,
+O=C(CCCc1ccccc1)N1CCc2ccccc21,0,0.0,
+O=C(CCCc1ccccc1)NC1CCSC1=O,0,0.0,
+O=C(CCCc1ccccc1)NCCCN1CCOCC1,0,0.0,
+O=C(CCCc1ccccc1)NCCN1CCOCC1,0,0.0,
+O=C(CCCc1ccccc1)NCc1cccnc1,0,0.0,
+O=C(CCCc1ccccc1)NCc1cn2ccsc2n1,0,0.0,
+O=C(CCCc1cccs1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1,0,0.0,
+O=C(CCCc1cccs1)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCOCC1,0,0.0,
+O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccnc1,1,100.0,1.0
+O=C(CCCc1nc(-c2ccccc2)no1)N1CCOCC1,0,0.0,
+O=C(CCCc1nc(-c2ccccc2)no1)Nc1cccnc1,0,0.0,
+O=C(CCCc1nc(-c2ccccc2Cl)no1)NC1CCCCC1,0,0.0,
+O=C(CCCc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(CCCc1nc2ccccc2s1)Nc1nccs1,0,0.0,
+O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCC1CCCO1,0,0.0,
+O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCCCN1CCCC1,0,0.0,
+O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCCCN1CCCC1=O,0,0.0,
+O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCCN1CCN(c2ccccc2)CC1,1,100.0,
+O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC1CCCCCC1,0,0.0,
+O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCCCC1,0,0.0,
+O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1,0,0.0,
+O=C(CCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCCn1c(=O)c2sccc2n(CC(=O)NCc2ccco2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCCn1c(=O)c2sccc2n(CC(=O)OCc2ccccc2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCCn1c(=O)c2sccc2n(Cc2ccc(F)cc2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCCn1c(=O)oc2ccccc21)N1CCc2ccccc2C1,0,0.0,
+O=C(CCCn1c(=O)oc2ccccc21)Nc1cccnc1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCc2ccccc2C1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NC1CC1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2ccc(Br)cc2c1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCCCC1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCOCC1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)NC1CCCC1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccco1,0,0.0,
+O=C(CCCn1c(=S)[nH]c2ccsc2c1=O)NCc1ccco1,0,0.0,
+O=C(CCCn1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O)NCC1CCCO1,0,0.0,
+O=C(CCCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O)NCC1CCCO1,0,0.0,
+O=C(CCCn1c(SCC(=O)NCC2CCCO2)nc2ccccc2c1=O)NCC1CCCO1,0,0.0,
+O=C(CCCn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O)NCc1ccco1,0,0.0,
+O=C(CCCn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O)NCc1ccco1,0,0.0,
+O=C(CCCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc2c1=O)NCC1CCCO1,0,0.0,
+O=C(CCCn1ncn2c(cc3occc32)c1=O)N1CCc2ccccc2C1,0,0.0,
+O=C(CCCn1nnc(-c2cccnc2)n1)c1ccc(F)cc1,0,0.0,
+O=C(CCN(CCO)Cc1ccccc1)Nc1ccc(Br)cc1,0,0.0,
+O=C(CCN1C(=O)C2(OCCO2)c2ccccc21)c1ccccc1,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCN(c2ccccc2Cl)CC1,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NC1CCCc2ccccc21,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NCC1CCCO1,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NCCN1CCCc2ccccc21,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1ccccc1,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1ccccc1Cl,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NCc1cccnc1,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1c(F)cc(F)cc1Br,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1c(F)cccc1F,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc(F)cc1,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc2c(c1)OCO2,1,100.0,0.0
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1F,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccn1,0,0.0,
+O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1nccs1,0,0.0,
+O=C(CCN1C(=O)C2CC=C(Cl)CC2C1=O)N1CCCCC1,0,0.0,
+O=C(CCN1C(=O)C2CC=C(Cl)CC2C1=O)NC1CCCCC1,0,0.0,
+O=C(CCN1C(=O)C2CC=C(Cl)CC2C1=O)NCc1ccco1,0,0.0,
+O=C(CCN1C(=O)C2CC=C(Cl)CC2C1=O)Nc1ccccc1O,0,0.0,
+O=C(CCN1C(=O)C2CC=CCC2C1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCN1C(=O)COc2ccccc21)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CCN1C(=O)COc2ccccc21)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCN1C(=O)COc2ccccc21)NCCC1=CCCCC1,0,0.0,
+O=C(CCN1C(=O)COc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1,1,100.0,0.0
+O=C(CCN1C(=O)COc2ccccc21)NCCCN1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CCN1C(=O)COc2ccccc21)NCCN1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(CCN1C(=O)COc2ccccc21)NCCN1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CCN1C(=O)COc2ccccc21)NCCN1CCOCC1,0,0.0,
+O=C(CCN1C(=O)COc2ccccc21)NCCN1CCc2ccccc2C1,0,0.0,
+O=C(CCN1C(=O)COc2ccccc21)NCc1cccnc1,0,0.0,
+O=C(CCN1C(=O)COc2ccccc21)NCc1ccco1,0,0.0,
+O=C(CCN1C(=O)COc2ccccc21)NCc1cccs1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC(c2ccccc2)C1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCCCC1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)c2ccccc2)CC1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)NC1=NCCS1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)NCCC1=CCCCC1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)NCCN1CCOCC1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccncc1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2nc3ccccc3o2)cc1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1F,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccn1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccncc1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)Nn1cnnc1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)OCN1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)OCn1nnc2ccccc2c1=O,0,0.0,
+O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(F)cc1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccco1,0,0.0,
+O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(CCN1C(=O)c2cccnc2C1=O)NC1CCCCCC1,0,0.0,
+O=C(CCN1C(=O)c2ccncc2C1=O)NCc1ccc(Cl)cc1,0,0.0,
+O=C(CCN1CCC(c2ccccc2)C1)c1cccs1,1,100.0,0.0
+O=C(CCN1CCCC1)Nc1cccc(Br)c1,0,0.0,
+O=C(CCN1CCCC1Cc1ccccc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCN1CCCCC1)NCC1OCCc2ccccc21,0,0.0,
+O=C(CCN1CCCCC1)NCNC(=O)CCN1CCCCC1,0,0.0,
+O=C(CCN1CCCCC1)Nc1ccc(Br)cc1,0,0.0,
+O=C(CCN1CCCCC1)Nc1cccc(Cl)c1,0,0.0,
+O=C(CCN1CCCCC1)Nn1c(=S)[nH]c2ccccc2c1=O,0,0.0,
+O=C(CCN1CCCCC1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCN1CCCCC1c1cccnc1)NCc1ccccc1,0,0.0,
+O=C(CCN1CCCCCC1)Nc1ccc(F)c(F)c1,0,0.0,
+O=C(CCN1CCCCCC1)Nc1ccc(F)cc1,0,0.0,
+O=C(CCN1CCCCCC1)Nc1cccc(Cl)c1,0,0.0,
+O=C(CCN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(F)cc1,0,0.0,
+O=C(CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccccc1F,0,0.0,
+O=C(CCN1CCN(CC(=O)Nc2ccccc2F)CC1)Nc1ccccc1F,0,0.0,
+O=C(CCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccccc1,0,0.0,
+O=C(CCN1CCN(CCO)CC1)Nc1ccc(OCc2ccccc2)cc1,0,0.0,
+O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1nccs1,0,0.0,
+O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1F,1,100.0,
+O=C(CCN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1,0,0.0,
+O=C(CCN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1F,0,0.0,
+O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccccc1F,0,0.0,
+O=C(CCN1CCN(c2ccccc2)CC1)Nc1nccs1,0,0.0,
+O=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccccc1F,0,0.0,
+O=C(CCN1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1,0,0.0,
+O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1,0,0.0,
+O=C(CCN1CCOCC1)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1,0,0.0,
+O=C(CCN1CCOCC1)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O,0,0.0,
+O=C(CCN1CCOCC1)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(CCN1CCOCC1)Nc1ccc2c(c1)N(C(=O)CN1CCOCC1)c1ccccc1CC2,0,0.0,
+O=C(CCN1CCOCC1)Nc1cccc(Br)c1,0,0.0,
+O=C(CCN1CCc2ccccc21)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCN1CCc2ccccc2C1)Nc1ccc(F)cc1,0,0.0,
+O=C(CCN1CCc2ccccc2C1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCN1CCc2ccccc2C1)Nc1cccc(F)c1,1,100.0,0.0
+O=C(CCN1CCc2ccccc2C1)Nc1ccccc1F,0,0.0,
+O=C(CCN1CCc2ccccc2C1)c1ccc2c(c1)OCCO2,1,100.0,1.0
+O=C(CCN1CCc2ccccc2CC1)c1ccc2c(c1)OCCO2,1,100.0,1.0
+O=C(CCN1Cc2ccccc2C1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CCN1c2ccccc2Sc2ccccc21)OCc1nnc(-c2ccccc2)o1,0,0.0,
+O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCCCN1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCCCN1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCCN1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCCN1CCc2ccccc2C1,0,0.0,
+O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCNC(=O)Cn1cnc2ccccc2c1=O)NCC1COc2ccccc2O1,0,0.0,
+O=C(CCNC(=O)Cn1cnc2ccccc2c1=O)NCCC1=CCCCC1,0,0.0,
+O=C(CCNC(=O)c1ccc(Br)o1)NC1CCCC1,0,0.0,
+O=C(CCNC(=O)c1ccc(Br)o1)NCc1ccc(Cl)cc1,0,0.0,
+O=C(CCNC(=O)c1ccc(Br)o1)NCc1ccccc1Cl,0,0.0,
+O=C(CCNC(=O)c1ccc(Br)o1)NCc1ccccn1,1,100.0,0.0
+O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,0,0.0,
+O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCNS(=O)(=O)c1ccc(Br)s1)N1CCCCC1,0,0.0,
+O=C(CCNS(=O)(=O)c1ccc(Br)s1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CCNS(=O)(=O)c1ccc(Br)s1)NC1CCCC1,0,0.0,
+O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCC2(O)CCCCC2C1,0,0.0,
+O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1,0,0.0,
+O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1,0,0.0,
+O=C(CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)NCc1cccnc1,0,0.0,
+O=C(CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCNS(=O)(=O)c1cccc2nonc12)N1CCN(c2cccc(Cl)c2)CC1,1,100.0,1.0
+O=C(CCNS(=O)(=O)c1cccc2nonc12)NC1CCCc2ccccc21,0,0.0,
+O=C(CCNS(=O)(=O)c1cccc2nonc12)NCCc1ccc(Cl)cc1,0,0.0,
+O=C(CCNS(=O)(=O)c1cccc2nonc12)NCc1cccs1,0,0.0,
+O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CC(=O)N(CCc2ccccc2)C(=O)C1,0,0.0,
+O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(c2ccccn2)CC1,1,100.0,1.0
+O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCc2ccccc21,0,0.0,
+O=C(CCNS(=O)(=O)c1cccc2nsnc12)NC1CCCc2ccccc21,0,0.0,
+O=C(CCNS(=O)(=O)c1cccc2nsnc12)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CCNS(=O)(=O)c1cccc2nsnc12)NCCC1=CCCCC1,0,0.0,
+O=C(CCNS(=O)(=O)c1cccc2nsnc12)NCCc1ccccc1,0,0.0,
+O=C(CCNS(=O)(=O)c1cccc2nsnc12)NCc1cccs1,0,0.0,
+O=C(CCNS(=O)(=O)c1cccc2nsnc12)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCNS(=O)(=O)c1ccccc1F)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCNS(=O)(=O)c1cccs1)N1CCCCCC1,0,0.0,
+O=C(CCNS(=O)(=O)c1cccs1)N1CCc2ccccc2C1,0,0.0,
+O=C(CCNS(=O)(=O)c1cccs1)NCc1ccco1,0,0.0,
+O=C(CCNS(=O)(=O)c1cccs1)Nc1ccccc1F,0,0.0,
+O=C(CCNS(=O)(=O)c1cccs1)Nc1nccs1,0,0.0,
+O=C(CCNc1cc(Cl)cc(Cl)c1)c1ccco1,0,0.0,
+O=C(CCNc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1,0,0.0,
+O=C(CCNc1ccc(F)c(Cl)c1)c1ccco1,0,0.0,
+O=C(CCNc1ccc(F)cc1)c1ccco1,0,0.0,
+O=C(CCNc1cccc(C(F)(F)F)c1)c1ccco1,0,0.0,
+O=C(CCNc1cccc(Cl)c1)c1ccco1,0,0.0,
+O=C(CCNc1ccccc1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(CCNc1n[nH]c(=O)[nH]c1=O)N1CCCCC1,0,0.0,
+O=C(CCNc1n[nH]c(=O)[nH]c1=O)N1CCOCC1,0,0.0,
+O=C(CCOc1ccccc1)NCC(c1ccco1)N1CCCCC1,0,0.0,
+O=C(CCOc1ccccc1)NCc1ccccc1,0,0.0,
+O=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(CCOc1ccccc1)OCC(=O)c1cc2ccccc2o1,0,0.0,
+O=C(CCS(=O)(=O)Cc1ccccc1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CCS(=O)(=O)Cc1ccccc1)NC1CCCCC1,0,0.0,
+O=C(CCS(=O)(=O)Cc1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CCS(=O)(=O)Cc1ccccc1)NCc1ccco1,0,0.0,
+O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(CCS(=O)(=O)Cc1ccccc1F)N1CCc2ccccc2C1,0,0.0,
+O=C(CCS(=O)(=O)Cc1ccccc1F)NCCCN1CCCCC1,0,0.0,
+O=C(CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)NCC1CCCO1,0,0.0,
+O=C(CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)NCc1ccco1,0,0.0,
+O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CCS(=O)(=O)c1ccc(Br)cc1)NCc1cccs1,0,0.0,
+O=C(CCS(=O)(=O)c1ccc(Br)s1)N1CCc2ccccc21,0,0.0,
+O=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1cccs1,0,0.0,
+O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCCC1,0,0.0,
+O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Oc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCS(=O)(=O)c1cccc2nonc12)N1CCCc2ccccc21,0,0.0,
+O=C(CCS(=O)(=O)c1cccc2nonc12)N1CCN(c2ccc(F)cc2)CC1,1,100.0,0.0
+O=C(CCS(=O)(=O)c1cccc2nonc12)N1CCOCC1,0,0.0,
+O=C(CCS(=O)(=O)c1cccc2nonc12)NCCc1ccccc1,0,0.0,
+O=C(CCS(=O)(=O)c1cccc2nonc12)Nc1cccc2c1CCCC2,0,0.0,
+O=C(CCS(=O)(=O)c1cccc2nsnc12)N1CC(=O)N(CCc2ccccc2)C(=O)C1,0,0.0,
+O=C(CCS(=O)(=O)c1cccc2nsnc12)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CCS(=O)(=O)c1cccc2nsnc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,1,100.0,0.0
+O=C(CCS(=O)(=O)c1cccc2nsnc12)NCc1ccccc1,0,0.0,
+O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccccn2)cs1,0,0.0,
+O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)COc1ccccc1-2,0,0.0,
+O=C(CCS(=O)(=O)c1ccccc1)Nc1nccs1,0,0.0,
+O=C(CCS(=O)(=O)c1cccs1)N1CCCC1,0,0.0,
+O=C(CCS(=O)(=O)c1cccs1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CCS(=O)(=O)c1cccs1)NC1CCCCCC1,0,0.0,
+O=C(CCS(=O)(=O)c1cccs1)Nc1ccc(C(=O)NCc2cccs2)cc1,0,0.0,
+O=C(CC[S+]([O-])CCC(=O)NCc1ccccc1)NCc1ccccc1,0,0.0,
+O=C(CC[S+]([O-])NCc1ccccc1)NCc1ccccc1,0,0.0,
+O=C(CCSCCC(=O)N1CCCC1)N1CCCC1,0,0.0,
+O=C(CCSCCC(=O)NCC1CCCO1)NCC1CCCO1,0,0.0,
+O=C(CCSCCC(=O)NCCN1CCOCC1)NCCN1CCOCC1,0,0.0,
+O=C(CCSCCC(=O)NCc1ccco1)NCc1ccco1,0,0.0,
+O=C(CCSCCC(=O)NCc1cccs1)NCc1cccs1,0,0.0,
+O=C(CCSCCc1ccccn1)Nc1ccccn1,0,0.0,
+O=C(CCSCCc1ccccn1)Nc1nccs1,0,0.0,
+O=C(CCSCCc1ccncc1)NCCCN1CCOCC1,0,0.0,
+O=C(CCSCc1ccccc1F)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCSc1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(CCSc1ccc(F)cc1)Nc1ccc(-n2cnnn2)cc1,0,0.0,
+O=C(CCSc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CCSc1ccccc1)N1CCOCC1,0,0.0,
+O=C(CCSc1ccccc1)NC1CCCC1,0,0.0,
+O=C(CCSc1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CCSc1ccccc1)NCCN1CCOCC1,0,0.0,
+O=C(CCSc1ccccc1)NCCSc1ccccn1,0,0.0,
+O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(CCSc1ccccc1)Nc1ncccn1,0,0.0,
+O=C(CCSc1ccccc1)Nc1nnc(-c2ccccc2)o1,0,0.0,
+O=C(CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)NCc1ccco1,0,0.0,
+O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCN(c2ccccc2)CC1,1,100.0,0.0
+O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCC1CCCO1,0,0.0,
+O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCc1ccccc1,0,0.0,
+O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1ccccn1,0,0.0,
+O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCSc1nc2cc(Cl)ccc2o1)N1CCOCC1,0,0.0,
+O=C(CCSc1nc2ccccc2o1)N1CCOCC1,0,0.0,
+O=C(CCSc1nccn1Cc1ccccc1)N1CCOCC1,0,0.0,
+O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccccc1,0,0.0,
+O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccc(F)cc1,0,0.0,
+O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccccc1,0,0.0,
+O=C(CCSc1nnc2ccccn12)Nc1ccc(F)cc1,0,0.0,
+O=C(CCSc1nnc2scc(-c3ccccc3)n12)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCSc1nnc2scc(-c3ccccc3)n12)Nc1nc(-c2ccccc2)ns1,0,0.0,
+O=C(CCSc1nnnn1-c1ccccc1)N1CCOCC1,0,0.0,
+O=C(CCc1c[nH]c2ccccc12)NCC1CCCO1,0,0.0,
+O=C(CCc1ccc(CCC(=O)c2cccs2)s1)c1cccs1,0,0.0,
+O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccccc2)o1,0,0.0,
+O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCN1CCCC1=O,0,0.0,
+O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1ccccn1,0,0.0,
+O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(Cl)ccc1N1CCOCC1,0,0.0,
+O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1nc2ccccc2s1,0,0.0,
+O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Oc1ccccc1,0,0.0,
+O=C(CCc1ccccc1)N1CCN(CCO)CC1,0,0.0,
+O=C(CCc1ccccc1)NC1CCSC1=O,0,0.0,
+O=C(CCc1ccccc1)NCCCN1CCOCC1,0,0.0,
+O=C(CCc1ccccc1)NCc1ccccn1,0,0.0,
+O=C(CCc1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(CCc1ccccc1)Nc1ccc(Cl)cn1,0,0.0,
+O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1,0,0.0,
+O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)nc1,0,0.0,
+O=C(CCc1ccccc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1,0,0.0,
+O=C(CCc1ccccc1)Nc1ccncc1,0,0.0,
+O=C(CCc1ccccc1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1,0,0.0,
+O=C(CCc1ccccc1)Nc1nc2n(n1)C(c1ccc(Cl)cc1)CC(=O)N2,0,0.0,
+O=C(CCc1ccccc1)Nc1nc2n(n1)C(c1ccccc1)CC(=O)N2,0,0.0,
+O=C(CCc1ccccc1)Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1,0,0.0,
+O=C(CCc1ccccc1)Nc1ncc2c(n1)CCCC2=O,0,0.0,
+O=C(CCc1ccccc1)Nc1ncn[nH]1,0,0.0,
+O=C(CCc1ccccc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1,0,0.0,
+O=C(CCc1ccccc1)Nc1nnc(-c2cccs2)o1,0,0.0,
+O=C(CCc1ccccc1)OCCN1CCOCC1,0,0.0,
+O=C(CCc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1,0,0.0,
+O=C(CCc1n[nH]c(=O)[nH]c1=O)N1CCCCC1,0,0.0,
+O=C(CCc1n[nH]c(=O)[nH]c1=O)N1CCOCC1,0,0.0,
+O=C(CCc1nc(-c2ccc(Cl)cc2)no1)OCc1ccc(Br)cc1,0,0.0,
+O=C(CCc1nc(-c2ccccc2)no1)N1CCCC1,0,0.0,
+O=C(CCc1nc(-c2ccccc2)no1)NCC1CCCO1,0,0.0,
+O=C(CCc1nc(-c2ccccc2)no1)NCc1ccco1,0,0.0,
+O=C(CCc1nc(-c2ccccc2)no1)Nc1cc(C(F)(F)F)ccc1Cl,0,0.0,
+O=C(CCc1nc(-c2ccccc2F)no1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CCc1nc(-c2ccccc2F)no1)NC1CCCCC1,0,0.0,
+O=C(CCc1nc(-c2ccccc2F)no1)NC1CCCCCC1,0,0.0,
+O=C(CCc1nc(-c2ccccc2F)no1)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CCc1nc(-c2ccccc2F)no1)NCCN1CCOCC1,0,0.0,
+O=C(CCc1nc(-c2ccccc2F)no1)NCCN1CCc2ccccc2C1,0,0.0,
+O=C(CCc1nc(-c2ccccc2F)no1)NCCc1ccccc1Cl,0,0.0,
+O=C(CCc1nc(-c2ccccc2F)no1)NCc1ccco1,0,0.0,
+O=C(CCc1nc(-c2ccccc2F)no1)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+O=C(CCc1nc(-c2cccs2)no1)Nc1cnc2ccccc2c1,0,0.0,
+O=C(CCc1nc2ccccc2[nH]1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CCc1nc2ccccc2[nH]1)N1CCc2ccccc2C1,0,0.0,
+O=C(CCc1nc2ccccc2[nH]1)NC1CCCCC1,0,0.0,
+O=C(CCc1nc2ccccc2[nH]1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(F)cc1,0,0.0,
+O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCc1nc2ccccc2[nH]1)Nc1ccccc1,0,0.0,
+O=C(CCc1nc2ccccc2[nH]c1=O)OCC(=O)N1CCc2ccccc21,0,0.0,
+O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(CCc1nc2ccccc2c(=O)[nH]1)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CCc1nc2ccccc2c(=O)[nH]1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1nnc(-c2ccccc2)o1,0,0.0,
+O=C(CCc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(CCc1nc2ccccc2s1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCO,0,0.0,
+O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1,0,0.0,
+O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCCCN1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1,0,0.0,
+O=C(CCn1c(=O)[nH]c2ccsc2c1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1,0,0.0,
+O=C(CCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(CCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(CCn1c(=O)[nH]c2ccsc2c1=O)N1CCc2ccccc2C1,0,0.0,
+O=C(CCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCn1c(=O)c2sccc2n(CC(=O)NCc2ccco2)c1=O)NCc1ccccc1,0,0.0,
+O=C(CCn1c(=O)c2sccc2n(CC(=O)OCc2ccccc2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccco1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)N(Cc1ccccc1)c1ccccn1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)N1CCCCCC1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccccc2Cl)CC1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)N1CCOCC1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)N1CCc2ccccc21,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)NC1=NCCS1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)NCCCN1CCCC1=O,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)NCCN1CCOCC1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)NCCN1CCc2ccccc2C1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)NCc1ccco1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)NCc1cccs1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(Cl)c1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)Nc1ccon1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)Nc1nccs1,0,0.0,
+O=C(CCn1c(=O)oc2ccccc21)n1c(=O)oc2ccccc21,0,0.0,
+O=C(CCn1c(=O)sc2ccccc21)NC1=NCCS1,0,0.0,
+O=C(CCn1c(=O)sc2ccccc21)NCCC1=CCCCC1,0,0.0,
+O=C(CCn1c(=O)sc2ccccc21)NCCCn1ccnc1,0,0.0,
+O=C(CCn1c(=O)sc2ccccc21)NCCN1CCOCC1,0,0.0,
+O=C(CCn1c(=O)sc2ccccc21)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCn1c(=O)sc2ccccc21)NCc1ccccc1,0,0.0,
+O=C(CCn1c(=O)sc2ccccc21)NCc1ccco1,0,0.0,
+O=C(CCn1c(=O)sc2ccccc21)NCc1cccs1,0,0.0,
+O=C(CCn1c(=O)sc2ccccc21)Nc1cccnc1,0,0.0,
+O=C(CCn1c(=O)sc2ccccc21)Nc1ccon1,0,0.0,
+O=C(CCn1c(=O)sc2ccccc21)Nc1nccs1,0,0.0,
+O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCCN1CCCC1,0,0.0,
+O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N1CCOCC1,0,0.0,
+O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NCC1CCCO1,0,0.0,
+O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NCCCN1CCCC1=O,0,0.0,
+O=C(CCn1c(=S)oc2ccccc21)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O)NCCc1ccccc1,0,0.0,
+O=C(CCn1ccc2ccccc21)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(CCn1cccc1)N1CCc2ccccc21,0,0.0,
+O=C(CCn1cccc1)NC1CCCc2ccccc21,0,0.0,
+O=C(CCn1cccc1)NCCc1ccc(Cl)cc1,0,0.0,
+O=C(CCn1cccc1)NCc1ccc(Cl)cc1,0,0.0,
+O=C(CCn1cccc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CCn1cccc1)NCc1ccccc1,0,0.0,
+O=C(CCn1cccc1)Nc1cc(F)ccc1F,0,0.0,
+O=C(CCn1cccc1)Nc1cccc(F)c1,0,0.0,
+O=C(CCn1cccc1)Nc1ccccc1F,0,0.0,
+O=C(CCn1cccc1)Nc1nccs1,0,0.0,
+O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1,0,0.0,
+O=C(CCn1cnc2ccccc2c1=O)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccn2)CC1,1,100.0,0.0
+O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCOCC1,0,0.0,
+O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCCN1CCCCCC1,0,0.0,
+O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccccn1,0,0.0,
+O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NCC1CCCO1,0,0.0,
+O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCCC1,0,0.0,
+O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCOCC1,0,0.0,
+O=C(CCn1nc(-c2ccccc2)ccc1=O)NCCCN1CCCCCC1,0,0.0,
+O=C(CCn1nnc(-c2cccs2)n1)N1CCc2ccccc2C1,0,0.0,
+O=C(CCn1nnc(-c2cccs2)n1)NC1CCCCC1,0,0.0,
+O=C(CCn1nnc(-c2cccs2)n1)NCc1ccccc1Cl,0,0.0,
+O=C(CCn1nnc2ccccc21)N1CCC(O)(c2cccc(F)c2)CC1,0,0.0,
+O=C(CCn1nnc2ccccc21)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CCn1nnc2ccccc21)Nc1nnc(-c2ccccc2F)s1,0,0.0,
+O=C(CCn1nnc2ccccc21)Nc1nnc(COc2ccc(F)cc2)s1,0,0.0,
+O=C(CCn1nnc2ccccc21)Nc1nnc(Cc2ccc(F)cc2)s1,0,0.0,
+O=C(CCn1nnc2ccccc21)Nc1nnc(Cc2ccccc2)s1,0,0.0,
+O=C(CCn1nnc2ccccc2c1=O)NCC1CCC(C(=O)O)CC1,0,0.0,
+O=C(CCn1nnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)C(=O)O,0,0.0,
+O=C(CCn1nnc2ccccc2c1=O)N[C@H](C(=O)O)c1ccccc1,0,0.0,
+O=C(CN(C(=O)C1COc2ccccc2O1)c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CN(C(=O)C1CSC(=O)C1)c1ccccc1F)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc2c(c1)OCCO2)NCCc1ccccc1,0,0.0,
+O=C(CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc2c(c1)OCO2)NCc1ccco1,0,0.0,
+O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)c(Cl)c1)NCc1ccco1,0,0.0,
+O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)cc1)NCC1CCCO1,0,0.0,
+O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)cc1)NCc1ccco1,0,0.0,
+O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2)NCc1ccco1,0,0.0,
+O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2c(c1)OCO2)NCC1CCCO1,0,0.0,
+O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1cccc(F)c1)NCC1CCCO1,0,0.0,
+O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1F)NCC1CCCO1,0,0.0,
+O=C(CN(C(=O)CCNC(=O)c1ccco1)c1ccccc1)NC1CCCC1,0,0.0,
+O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1)NC1CCCCC1,0,0.0,
+O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc(Cl)cc1)NC1CCCCC1,0,0.0,
+O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCO2)NC1CCCCC1,0,0.0,
+O=C(CN(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1)NCC1CCCO1,0,0.0,
+O=C(CN(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2)NC1CCCCC1,0,0.0,
+O=C(CN(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2)NCc1ccco1,0,0.0,
+O=C(CN(C(=O)CSc1nnc(COc2ccccc2)o1)c1ccc(F)cc1)NC1CCCC1,0,0.0,
+O=C(CN(C(=O)CSc1nnc(COc2ccccc2)o1)c1ccc(F)cc1)NC1CCCCC1,0,0.0,
+O=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1)NC1CCCC1,0,0.0,
+O=C(CN(C(=O)Cn1nnc(-c2cccs2)n1)c1ccc2c(c1)OCCO2)NC1CCCCC1,0,0.0,
+O=C(CN(C(=O)Cn1nnc(-c2cccs2)n1)c1cnc2ccccc2c1)NCC1CCCO1,0,0.0,
+O=C(CN(C(=O)c1cc2c(s1)CCC2)C1CCCC1)NCc1cccs1,0,0.0,
+O=C(CN(C(=O)c1ccc2c(c1)OCCO2)c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CN(C(=O)c1ccco1)c1cccc(F)c1)NCc1ccc(F)cc1,0,0.0,
+O=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccccc1,0,0.0,
+O=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1,0,0.0,
+O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCCCO,0,0.0,
+O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1,0,0.0,
+O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccncc1,0,0.0,
+O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NC1CC1,0,0.0,
+O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCCCO,0,0.0,
+O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCc1ccncc1,0,0.0,
+O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CCCC1,0,0.0,
+O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1cccnc1,0,0.0,
+O=C(CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Br)s1)N1CCOCC1,0,0.0,
+O=C(CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1)NCC1CCCO1,0,0.0,
+O=C(CN(CC1CCCO1)C(=O)CCC(=O)Nc1nccs1)NCC1CCCO1,0,0.0,
+O=C(CN(CC1CCCO1)C(=O)CCC(=O)Nc1nccs1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccccc1,0,0.0,
+O=C(CN(CC1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1,0,0.0,
+O=C(CN(CC1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccccc1,0,0.0,
+O=C(CN(CCCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1,0,0.0,
+O=C(CN(CCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1,0,0.0,
+O=C(CN(CCO)c1ccccc1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(CN(CCc1ccccc1)C(=O)CN1C(=O)COc2ccccc21)NCc1ccco1,0,0.0,
+O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCC1CCCO1,1,100.0,0.0
+O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1,0,0.0,
+O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CN(CCc1ccccc1)C(=O)Cn1nnc(-c2cccs2)n1)NCc1ccco1,0,0.0,
+O=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1,0,0.0,
+O=C(CN(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21)NCC1CCCO1,0,0.0,
+O=C(CN(Cc1ccc(F)cc1)C(=O)c1ccco1)NCc1ccc(F)cc1,0,0.0,
+O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCCCC1,0,0.0,
+O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccco1)NC1CCCCC1,0,0.0,
+O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CNS(=O)(=O)c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1,0,0.0,
+O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)c1cnsn1)NC1CCCC1,0,0.0,
+O=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1,0,0.0,
+O=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1nccs1)NCc1ccco1,0,0.0,
+O=C(CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN(Cc1ccccc1)C(=O)c1ccco1)NCc1ccc(F)cc1,0,0.0,
+O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN(Cc1ccccc1C(F)(F)F)C(=O)CNC(=O)c1ccco1)NC1CCCC1,0,0.0,
+O=C(CN(Cc1ccccc1Cl)C(=O)Cn1nnc(-c2cccs2)n1)NCC1CCCO1,0,0.0,
+O=C(CN(Cc1ccccc1Cl)C(=O)c1ccc(CN2CCOCC2)o1)NCc1ccccc1,0,0.0,
+O=C(CN(Cc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1)NCC1CCCO1,0,0.0,
+O=C(CN(Cc1ccccc1F)C(=O)c1ccco1)NCc1ccc(F)cc1,0,0.0,
+O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCCCO,0,0.0,
+O=C(CN(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1,0,0.0,
+O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1,0,0.0,
+O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1,0,0.0,
+O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1,0,0.0,
+O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(F)cc1,0,0.0,
+O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCCC1,0,0.0,
+O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1,0,0.0,
+O=C(CN(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCC1,0,0.0,
+O=C(CN(Cc1ccco1)C(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1Br,0,0.0,
+O=C(CN(Cc1ccco1)C(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1C(F)(F)F,0,0.0,
+O=C(CN(Cc1ccco1)S(=O)(=O)c1cccs1)Nc1ccccc1C(F)(F)F,0,0.0,
+O=C(CN(Cc1cccs1)C(=O)CN1C(=O)COc2ccccc21)NCc1ccco1,0,0.0,
+O=C(CN(Cc1cccs1)C(=O)CNC(=O)c1ccco1)NC1CCCCC1,0,0.0,
+O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1,0,0.0,
+O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CN(Cc1cccs1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCC1,0,0.0,
+O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CCOCC1,0,0.0,
+O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1,0,0.0,
+O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCC1CCCO1,0,0.0,
+O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccccn1,0,0.0,
+O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccnc1,0,0.0,
+O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCCCCC1,0,0.0,
+O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,1,100.0,1.0
+O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N1CCCCCC1,0,0.0,
+O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)NCCc1ccccc1,0,0.0,
+O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)NCc1ccccc1,0,0.0,
+O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(Br)cc1,0,0.0,
+O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(Cl)cc1,0,0.0,
+O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(F)cc1,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CC=C(c2ccccc2)CC1,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCc2ccccc2C1,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NC1CCCc2ccccc21,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCC1COc2ccccc2O1,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCC1=CCCCC1,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCN1CCCc2ccccc21,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1ccccc1,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1ccccc1Cl,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc2nccnc2c1,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccc2c1CCCC2,0,0.0,
+O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1,0,0.0,
+O=C(CN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)N1CCOCC1,0,0.0,
+O=C(CN1C(=O)C2CC=C(Cl)CC2C1=O)N1CCOCC1,0,0.0,
+O=C(CN1C(=O)C2CC=C(Cl)CC2C1=O)NCc1ccccc1,0,0.0,
+O=C(CN1C(=O)C2CC=C(Cl)CC2C1=O)Nc1ccc(C(=O)O)cc1,0,0.0,
+O=C(CN1C(=O)C2CC=CCC2C1=O)NC1=NCCS1,0,0.0,
+O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1,0,0.0,
+O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1,0,0.0,
+O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1nc2ccccc2[nH]1,0,0.0,
+O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1nccs1,0,0.0,
+O=C(CN1C(=O)C2CC=CCC2C1=O)OCCN1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(CN1C(=O)C2CCCCN2C(=O)c2ccccc21)N1CCCc2ccccc21,0,0.0,
+O=C(CN1C(=O)C2CCc3[nH]c4ccccc4c3C2C1=O)N1CCCC1,0,0.0,
+O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NCc1ccco1,0,0.0,
+O=C(CN1C(=O)CC(c2ccco2)Sc2ccccc21)NCC1CCCO1,0,0.0,
+O=C(CN1C(=O)CC(c2ccco2)Sc2ccccc21)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1C(=O)CC(c2ccco2)Sc2ccccc21)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1C(=O)CC(c2ccco2)Sc2ccccc21)Nc1ccccc1F,0,0.0,
+O=C(CN1C(=O)CCC1=O)Nc1ccc(Br)cc1,0,0.0,
+O=C(CN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(CN1C(=O)CCC1=O)Nc1ccc2c3c(cccc13)CC2,0,0.0,
+O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccc(Cl)s2)cs1,0,0.0,
+O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccccn2)cs1,0,0.0,
+O=C(CN1C(=O)CCC1=O)Nc1nc(-c2cccs2)cs1,0,0.0,
+O=C(CN1C(=O)CCC1=O)Nc1nc(-c2nc3ccccc3s2)cs1,0,0.0,
+O=C(CN1C(=O)CCC1=O)Nc1nc2c(F)cc(F)cc2s1,0,0.0,
+O=C(CN1C(=O)CCC1=O)Nc1nc2ccc(Br)cc2s1,0,0.0,
+O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)NCc1ccc(F)cc1,0,0.0,
+O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)NCc1ccccc1,0,0.0,
+O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)Nc1cccc(Cl)c1,0,0.0,
+O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)Nc1cccc(F)c1,0,0.0,
+O=C(CN1C(=O)CCSc2ccccc21)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CN1C(=O)CCSc2ccccc21)Nc1ccc(F)cc1,0,0.0,
+O=C(CN1C(=O)CCSc2ccccc21)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1C(=O)CCSc2ccccc21)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1C(=O)CCSc2ccccc21)Nc1cccc(F)c1,0,0.0,
+O=C(CN1C(=O)CCSc2ccccc21)Nc1ccccc1,0,0.0,
+O=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)NCc1ccco1,0,0.0,
+O=C(CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21)NCc1ccco1,0,0.0,
+O=C(CN1C(=O)CNC1=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CN1C(=O)COCC1=O)N1CCOCC1,0,0.0,
+O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCc2ccccc21,0,0.0,
+O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)N(CCCN1CCOCC1)CC1CC=CCC1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)N(Cc1ccc2c(c1)OCO2)CC1CCCO1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)N(Cc1ccccc1)Cc1ccccn1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)N(Cc1cccnc1)Cc1cccc(F)c1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)N(Cc1cccnc1)Cc1ccccc1F,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)N1CCCc2ccccc21,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)N1CCc2ccccc21,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)NCCC1=CCCCC1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)NCCCN1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)NCCCN1CCc2ccccc2C1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)NCCN1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)NCCN1CCc2ccccc2C1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)NCc1ccc(C(=O)O)cc1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)Nc1ccc(F)cc1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)c1ccc(Cl)cc1,0,0.0,
+O=C(CN1C(=O)COc2ccccc21)c1cccc(Cl)c1,0,0.0,
+O=C(CN1C(=O)CSC1=O)N1CCc2ccccc2C1,0,0.0,
+O=C(CN1C(=O)CSC1=O)NCc1ccccc1,0,0.0,
+O=C(CN1C(=O)CSC1=O)Nc1ccc(C(=O)O)cc1,0,0.0,
+O=C(CN1C(=O)CSC1=O)Nc1ccc(F)c(F)c1F,0,0.0,
+O=C(CN1C(=O)CSC1=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(CN1C(=O)CSC1=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1C(=O)CSC1=O)Nc1ccccc1F,0,0.0,
+O=C(CN1C(=O)CSC1=O)Nc1ccccc1N1CCOCC1,0,0.0,
+O=C(CN1C(=O)CSC1=O)c1ccccc1,0,0.0,
+O=C(CN1C(=O)CSc2ccccc21)N1CCc2ccccc21,0,0.0,
+O=C(CN1C(=O)CSc2ccccc21)NC1CCCC1,0,0.0,
+O=C(CN1C(=O)CSc2ccccc21)NCCC1=CCCCC1,0,0.0,
+O=C(CN1C(=O)CSc2ccccc21)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1C(=O)N1CCOCC1,0,0.0,
+O=C(CN1C(=O)CSc2ncccc21)N1CCOCC1,0,0.0,
+O=C(CN1C(=O)CSc2ncccc21)NCCN1CCOCC1,0,0.0,
+O=C(CN1C(=O)NC(Cc2ccccc2)C1=O)NC(=O)NC1CCCCC1,0,0.0,
+O=C(CN1C(=O)NC(Cc2ccccc2)C1=O)Nc1ccc(F)cc1,0,0.0,
+O=C(CN1C(=O)NC(Cc2ccccc2)C1=O)Nc1ccccc1,0,0.0,
+O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,0,0.0,
+O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc(F)cc2)cs1,0,0.0,
+O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCC1=CCCCC1,0,0.0,
+O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1Cl,0,0.0,
+O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCC(Cc2ccccc2)CC1,0,0.0,
+O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCOCC1,0,0.0,
+O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NC(=O)NCc1ccco1,0,0.0,
+O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)N1CCc2ccccc2C1,0,0.0,
+O=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1C(=O)NC2(CCSC2)C1=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1C(=O)NC2NC(=O)NC21)NC1CCCCC1,0,0.0,
+O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CN1C(=O)c2cccc3cccc1c23)N1CCc2ccccc2C1,0,0.0,
+O=C(CN1C(=O)c2cccc3cccc1c23)NCC1CCCO1,0,0.0,
+O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1C(=O)c2cccc3cccc1c23)NCc1cccnc1,0,0.0,
+O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1C(=O)NCc1ccco1,0,0.0,
+O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccnc1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)N1CCCCC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)N1CCOCC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)NCC1CCCO1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)NCC1COc2ccccc2O1,1,100.0,
+O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccccn1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccncc1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2nc3ccccc3o2)cc1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc2cccnc12,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1F,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccnc1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(C2CCCO2)s1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCc2ccccc2C1,0,0.0,
+O=C(CN1C(=O)c2ccccc2C1=O)OCN1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCOCC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc21,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc2C1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CC2CCC1C2,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CCCC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CCCCCC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCC1=CCCCC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSC1CCCCC1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1ccco1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSc1ccccc1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1Cl,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccn1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1cccnc1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)NCc1ccco1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccnc1,0,0.0,
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1,0,0.0,
+O=C(CN1C2=NCCCN2c2ccccc21)c1ccc(Br)s1,0,0.0,
+O=C(CN1C2=NCCCN2c2ccccc21)c1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1C2=NCCCN2c2ccccc21)c1cccs1,0,0.0,
+O=C(CN1C2=NCCN2c2ccccc21)C12CC3CC(CC(C3)C1)C2,1,100.0,1.0
+O=C(CN1C2=NCCN2c2ccccc21)N1CCOCC1,0,0.0,
+O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Br)cc1,0,0.0,
+O=C(CN1C2=NCCN2c2ccccc21)c1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1C2=NCCN2c2ccccc21)c1ccco1,0,0.0,
+O=C(CN1C2CCC1CC(NC(=O)C1CC1)C2)NCc1ccccc1,0,0.0,
+O=C(CN1C2CCC1CC(NC(=O)NC1CCCCC1)C2)NC1CC1,0,0.0,
+O=C(CN1C2CCC1CC(NC(=O)Nc1ccccc1)C2)NCc1ccco1,0,0.0,
+O=C(CN1C2CCC1CC(O)(c1cccnc1)C2)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1C2CCCC1CC(NC(=O)c1ccco1)C2)Nc1ccccc1C(F)(F)F,0,0.0,
+O=C(CN1CC(=O)Oc2ccccc21)NCc1ccco1,0,0.0,
+O=C(CN1CC(=O)Oc2ccccc21)OCC(=O)c1cccc(Br)c1,0,0.0,
+O=C(CN1CC(=O)Oc2ccccc21)OCC(=O)c1ccccc1,0,0.0,
+O=C(CN1CC(c2ccccc2)CC1=O)NCc1ccc(F)cc1,0,0.0,
+O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(F)cc1,0,0.0,
+O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CC(c2ccccc2)CC1=O)Nc1cccc(F)c1,0,0.0,
+O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccccc1,0,0.0,
+O=C(CN1CC(c2ccccc2)CC1=O)OCc1ccccc1F,0,0.0,
+O=C(CN1CC=C(c2ccccc2)CC1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1,0,0.0,
+O=C(CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)NC1CCCC1,0,0.0,
+O=C(CN1CCC(Cc2ccccc2)CC1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1)NCc1ccco1,1,100.0,1.0
+O=C(CN1CCC(NC(=O)c2ccc(F)cc2)CC1)NCc1ccccc1F,0,0.0,
+O=C(CN1CCC(NC(=O)c2cccc(F)c2)CC1)NCc1ccccc1F,0,0.0,
+O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCc1ccccc1F,0,0.0,
+O=C(CN1CCC(NC(=O)c2ccco2)CC1)Nc1cc(Cl)ccc1Cl,0,0.0,
+O=C(CN1CCC(O)(c2ccc(F)cc2)CC1)NCc1ccc(F)cc1,0,0.0,
+O=C(CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)N1CCOCC1,0,0.0,
+O=C(CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)OC1CCCCC1,0,0.0,
+O=C(CN1CCC(O)(c2ccccc2F)CC1)NCCc1c[nH]c2ccccc12,0,0.0,
+O=C(CN1CCC(O)CC1)N1c2ccccc2C=Cc2ccccc21,1,100.0,1.0
+O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCC(c2nc3ccccc3s2)CC1)NCc1cccs1,0,0.0,
+O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)N1CCc2ccccc21,0,0.0,
+O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)N1CCCc2ccccc21,0,0.0,
+O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)N1CCc2ccccc2C1,0,0.0,
+O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NC1CC1,0,0.0,
+O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NC1CCCCC1,1,100.0,0.0
+O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NCCc1nc2ccccc2[nH]1,0,0.0,
+O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NCc1ccco1,0,0.0,
+O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccccc1N1CCOCC1,0,0.0,
+O=C(CN1CCC(n2nnc3ccccc32)CC1)NCc1cccs1,0,0.0,
+O=C(CN1CCC(n2nnc3ccccc32)CC1)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(CN1CCC2(CC1)OCCO2)c1c[nH]c2ccccc12,0,0.0,
+O=C(CN1CCC2(CC1)OCCO2)c1ccc2cc[nH]c2c1,0,0.0,
+O=C(CN1CCCC(O)C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21,1,100.0,1.0
+O=C(CN1CCCC1)N1CCCc2c1c(=O)oc1ccc(OCc3ccccc3)cc21,1,100.0,1.0
+O=C(CN1CCCC1)N1c2ccccc2Sc2ccccc21,1,100.0,0.0
+O=C(CN1CCCC1)NCC1(c2ccccc2)CCOCC1,0,0.0,
+O=C(CN1CCCC1)NCC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(CN1CCCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCCC4)ccc3o2)cc1,0,0.0,
+O=C(CN1CCCC1)Nc1ccc(NC(=O)Nc2ccccc2)cc1,0,0.0,
+O=C(CN1CCCC1)Nc1ccc(NC(=O)Nc2ccccc2Cl)cc1,1,100.0,0.0
+O=C(CN1CCCC1)Nc1ccc(Oc2ccc(NC(=O)CN3CCCC3)cc2)cc1,0,0.0,
+O=C(CN1CCCC1=O)N1CCOCC1,0,0.0,
+O=C(CN1CCCC1=O)NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O,0,0.0,
+O=C(CN1CCCCC1)NCCNC(=O)CN1CCCCC1,0,0.0,
+O=C(CN1CCCCC1)Nc1cc(Cl)ccc1Cl,0,0.0,
+O=C(CN1CCCCC1)Nc1ccc(F)c(Cl)c1,0,0.0,
+O=C(CN1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+O=C(CN1CCCCC1)Nc1cccc(-n2cnnn2)c1,0,0.0,
+O=C(CN1CCCCC1)Nc1cccc(Br)c1,0,0.0,
+O=C(CN1CCCCC1)Nc1cccc(Cl)c1Cl,0,0.0,
+O=C(CN1CCCCC1)Nc1ccccc1NC(=O)CN1CCCCC1,0,0.0,
+O=C(CN1CCCCC1)Nc1nnc(-c2ccccc2)s1,0,0.0,
+O=C(CN1CCCCCC1)NCCc1ccc(F)cc1,0,0.0,
+O=C(CN1CCCCCC1)Nc1ccc(F)c(F)c1F,0,0.0,
+O=C(CN1CCCCCC1)Nc1cccc2c1OCO2,0,0.0,
+O=C(CN1CCCCCC1)OCCN=C1NS(=O)(=O)c2ccccc21,0,0.0,
+O=C(CN1CCCCCC1=O)OCc1ncc(-c2ccccc2)o1,0,0.0,
+O=C(CN1CCCN(Cc2ccc(F)cc2Cl)C1=O)NCc1ccccc1,0,0.0,
+O=C(CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc2cn[nH]c2c1,0,0.0,
+O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1Br,0,0.0,
+O=C(CN1CCCc2ccccc21)NC(=O)NCc1ccco1,0,0.0,
+O=C(CN1CCCc2ccccc21)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(C(=O)N2CCCCC2)CC1)Nc1ccc(F)cc1,0,0.0,
+O=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1ccc(Br)cc1,0,0.0,
+O=C(CN1CCN(C(=O)c2c(F)cccc2F)CC1)Nc1ccccc1F,0,0.0,
+O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)NC1CCCCC1,0,0.0,
+O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)Nc1ccccc1F,0,0.0,
+O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Br)cn1,0,0.0,
+O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ncc(Br)cc1Br,0,0.0,
+O=C(CN1CCN(C(=O)c2ccccc2F)CC1)Nc1ccc(Br)cc1,0,0.0,
+O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c2c(nc3c1CCC3)CCCC2,0,0.0,
+O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl,0,0.0,
+O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1,0,0.0,
+O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccccc1-c1ccccc1,0,0.0,
+O=C(CN1CCN(C(=O)c2cccs2)CC1)NC1CCCCC1,0,0.0,
+O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(Br)cc1,0,0.0,
+O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCOCC1,1,100.0,1.0
+O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CN1CCN(C2CCCCC2)CC1)NCCC1=CCCCC1,0,0.0,
+O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccccc1-c1ccccc1,0,0.0,
+O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccccc1N1CCCCC1,0,0.0,
+O=C(CN1CCN(C2CCCCC2)CC1)c1ccc2cc[nH]c2c1,0,0.0,
+O=C(CN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc(F)cc1,0,0.0,
+O=C(CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)Nc1ccccc1F,0,0.0,
+O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1CCN(CC(=O)Nc2ccccn2)CC1)Nc1ccccn1,0,0.0,
+O=C(CN1CCN(CC(=O)c2ccc(F)cc2)CC1)Nc1ccccc1Cl,0,0.0,
+O=C(CN1CCN(CCC(=O)Nc2ccccc2F)CC1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(CN1CCN(CCC(=O)Nc2ccccc2F)CC1)Nc1ccc(F)cc1,0,0.0,
+O=C(CN1CCN(CCO)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1,0,0.0,
+O=C(CN1CCN(CCOCCO)CC1)N1c2ccccc2Sc2ccc(Cl)cc21,1,100.0,1.0
+O=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)NCCN1CCCC1,0,0.0,
+O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCc1cccs1,0,0.0,
+O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCCCN1CCOCC1,0,0.0,
+O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1,1,100.0,0.0
+O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCc2[nH]c3ccccc3c2C1,0,0.0,
+O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CN1CCN(Cc2ccccc2)C1=O)NCc1ccc(Cl)cc1,0,0.0,
+O=C(CN1CCN(Cc2ccccc2)CC1)N1CCCc2c1c(=O)oc1ccc(O)cc21,1,100.0,1.0
+O=C(CN1CCN(Cc2ccccc2)CC1)NC(=O)NC1CCCCC1,0,0.0,
+O=C(CN1CCN(Cc2ccccc2)CC1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CN1CCN(Cc2ccccc2)CC1)NCC1COc2ccccc2O1,0,0.0,
+O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cn1,0,0.0,
+O=C(CN1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccccc12,0,0.0,
+O=C(CN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1,0,0.0,
+O=C(CN1CCN(Cc2ccccc2Cl)C1=O)N1CCCCCC1,0,0.0,
+O=C(CN1CCN(Cc2ccccc2Cl)C1=O)NC1CCCCCC1,0,0.0,
+O=C(CN1CCN(Cc2ccccc2Cl)C1=O)NC1CCCCCCC1,0,0.0,
+O=C(CN1CCN(Cc2ccccc2Cl)C1=O)NCC1CCCO1,0,0.0,
+O=C(CN1CCN(Cc2ccccc2F)C1=O)NCCN1CCOCC1,0,0.0,
+O=C(CN1CCN(Cc2ccccc2F)C1=O)NCc1cccnc1,0,0.0,
+O=C(CN1CCN(Cc2ccccc2F)C1=O)NCc1cccs1,0,0.0,
+O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(F)cc1,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(F)cc1F,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1F,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1F,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1F,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(F)c(F)c1,0,0.0,
+O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1,0,0.0,
+O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(F)c1,0,0.0,
+O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCC(Cc2ccccc2)CC1,0,0.0,
+O=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCOCC1,0,0.0,
+O=C(CN1CCN(c2ccc(F)cc2)CC1)NCC1CCCO1,0,0.0,
+O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl,0,0.0,
+O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(-n2cnnn2)cc1,0,0.0,
+O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1,0,0.0,
+O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nnc(-c2ccccc2)s1,0,0.0,
+O=C(CN1CCN(c2ccc(F)cc2)CC1)OCc1ccccc1,0,0.0,
+O=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCCC1,0,0.0,
+O=C(CN1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CN1CCN(c2ccccc2)CC1)Nc1c(C(=O)C2CC2)oc2ccccc12,0,0.0,
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(-n2cnnn2)cc1,0,0.0,
+O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F,0,0.0,
+O=C(CN1CCN(c2ccccc2)CC1)Nc1nccs1,0,0.0,
+O=C(CN1CCN(c2ccccc2)CC1)Nc1nnc(-c2ccccc2)s1,0,0.0,
+O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccccc1F,0,0.0,
+O=C(CN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(c2ccccc2F)CC1)c1ccc2cc[nH]c2c1,0,0.0,
+O=C(CN1CCN(c2ccccn2)CC1)N(c1ccccc1)c1ccc2ccccc2c1,0,0.0,
+O=C(CN1CCN(c2ccccn2)CC1)N1c2ccccc2CCc2ccccc21,0,0.0,
+O=C(CN1CCN(c2ccccn2)CC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21,1,100.0,1.0
+O=C(CN1CCN(c2ccccn2)CC1)NC(=O)NC1CCCCC1,0,0.0,
+O=C(CN1CCN(c2ccccn2)CC1)NC1CCCC1,0,0.0,
+O=C(CN1CCN(c2ccccn2)CC1)NCCc1ccccc1,0,0.0,
+O=C(CN1CCN(c2ccccn2)CC1)NCc1cccs1,0,0.0,
+O=C(CN1CCN(c2ccccn2)CC1)Nc1cc(C(F)(F)F)ccc1Cl,0,0.0,
+O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1,0,0.0,
+O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(OCc2ccccc2)cc1,0,0.0,
+O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc2ccccc2c1,0,0.0,
+O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1)NCc1ccco1,0,0.0,
+O=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC(=O)NCc1ccccc1,0,0.0,
+O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCN(c2ncccn2)CC1)N(Cc1ccccc1)c1ccc(F)cc1,0,0.0,
+O=C(CN1CCN(c2ncccn2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(CN1CCN(c2ncccn2)CC1)NCCC1=CCCCC1,0,0.0,
+O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1-n1cccc1,0,0.0,
+O=C(CN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,0,0.0,
+O=C(CN1CCNCC1)Nc1ccccc1Cl,0,0.0,
+O=C(CN1CCOCC1)N(c1ccccc1)c1ccc2ccccc2c1,0,0.0,
+O=C(CN1CCOCC1)N1CCCc2c1c(=O)oc1ccc(OCc3ccccc3)cc21,0,0.0,
+O=C(CN1CCOCC1)N1CCN(C(=O)CN2CCOCC2)CC1,0,0.0,
+O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1,0,0.0,
+O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1c1ccccc1,0,0.0,
+O=C(CN1CCOCC1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1,0,0.0,
+O=C(CN1CCOCC1)N1CCc2ccccc2C(c2ccccc2)C1,0,0.0,
+O=C(CN1CCOCC1)NC1C2CC3CC(C2)CC1C3,0,0.0,
+O=C(CN1CCOCC1)NC1CC2CCC1C2,0,0.0,
+O=C(CN1CCOCC1)NCC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(CN1CCOCC1)NCCNC(=O)CN1CCOCC1,0,0.0,
+O=C(CN1CCOCC1)NCc1ccccc1,0,0.0,
+O=C(CN1CCOCC1)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O,0,0.0,
+O=C(CN1CCOCC1)Nc1c2c(nc3c1CCC3)CCC2,0,0.0,
+O=C(CN1CCOCC1)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2,0,0.0,
+O=C(CN1CCOCC1)Nc1cc(Cl)ccc1Cl,0,0.0,
+O=C(CN1CCOCC1)Nc1ccc(Br)cn1,0,0.0,
+O=C(CN1CCOCC1)Nc1ccc(C2CCCCC2)cc1,0,0.0,
+O=C(CN1CCOCC1)Nc1ccc(NC(=O)CN2CCOCC2)c(Cl)c1,0,0.0,
+O=C(CN1CCOCC1)Nc1ccc(OCc2ccccc2)cc1,0,0.0,
+O=C(CN1CCOCC1)Nc1ccc(Oc2ccc(NC(=O)CN3CCOCC3)cc2)cc1,0,0.0,
+O=C(CN1CCOCC1)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+O=C(CN1CCOCC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+O=C(CN1CCOCC1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1,0,0.0,
+O=C(CN1CCOCC1)Nc1cccc(Br)c1,0,0.0,
+O=C(CN1CCOCC1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1,0,0.0,
+O=C(CN1CCOCC1)Nc1cccc(Cl)c1Cl,0,0.0,
+O=C(CN1CCOCC1)Nc1ccccc1-c1ccccc1,0,0.0,
+O=C(CN1CCOCC1)Nc1ccccc1NC(=O)C1CCN(c2ncccn2)CC1,0,0.0,
+O=C(CN1CCOCC1)Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1,0,0.0,
+O=C(CN1CCOCC1)Nc1ncc(Br)cc1Br,0,0.0,
+O=C(CN1CCOCC1)Nc1scc(-c2ccccc2)c1C(=O)N1CCOCC1,0,0.0,
+O=C(CN1CCOCC1)OCCCC1CCCCC1,1,100.0,0.0
+O=C(CN1CCOCC1)OCCCc1ccccc1,0,0.0,
+O=C(CN1CCOCC1)c1ccc2cc[nH]c2c1,0,0.0,
+O=C(CN1CCOCC1)n1c2ccccc2c2ccccc21,0,0.0,
+O=C(CN1CCOCCOCCN(CC(=O)Nc2ccccc2)CCOCC1)Nc1ccccc1,0,0.0,
+O=C(CN1CCOc2ccccc21)N1CCC(Cc2ccccc2)CC1,0,0.0,
+O=C(CN1CCOc2ccccc21)N1CCCC1,0,0.0,
+O=C(CN1CCOc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(CN1CCOc2ccccc21)NC1CC1,0,0.0,
+O=C(CN1CCOc2ccccc21)NC1CCCCCCC1,0,0.0,
+O=C(CN1CCOc2ccccc21)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CN1CCOc2ccccc21)NCc1ccc(Cl)cc1,0,0.0,
+O=C(CN1CCOc2ccccc21)NCc1ccc(F)cc1,0,0.0,
+O=C(CN1CCOc2ccccc21)NCc1ccccc1,0,0.0,
+O=C(CN1CCOc2ccccc21)NCc1ccco1,0,0.0,
+O=C(CN1CCOc2ccccc21)NCc1cccs1,0,0.0,
+O=C(CN1CCSCC1)N1CCc2[nH]c3ccc(Br)cc3c2C1,1,100.0,1.0
+O=C(CN1CCc2[nH]c3ccccc3c2C1)N1CCCCC1,0,0.0,
+O=C(CN1CCc2ccccc21)NC(=O)NCc1ccco1,0,0.0,
+O=C(CN1CCc2ccccc21)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CN1CCc2ccccc2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(CN1CCc2ccccc2C1)Nc1ccccc1N1CCCCCC1,0,0.0,
+O=C(CN1CCc2ccccc2C1)c1cccs1,0,0.0,
+O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCOCC1,0,0.0,
+O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccc2c(c1)OCO2,1,100.0,
+O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NC1=NCCS1,0,0.0,
+O=C(CNC(=O)C1CCCCC1)NC1=NCCS1,0,0.0,
+O=C(CNC(=O)C1CCCCC1)NCCCO,0,0.0,
+O=C(CNC(=O)Cn1ccc2ccccc2c1=O)NCCCN1CCCCCC1,0,0.0,
+O=C(CNC(=O)Cn1ccc2ccccc2c1=O)NCCCN1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(CNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccccn1,0,0.0,
+O=C(CNC(=O)c1cc2ccccc2o1)NCc1cccs1,0,0.0,
+O=C(CNC(=O)c1ccc(Br)o1)Nc1cccc(-c2cnc3ccccc3n2)c1,0,0.0,
+O=C(CNC(=O)c1ccc(Cl)cc1)NCCCn1ccnc1,0,0.0,
+O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+O=C(CNC(=O)c1ccccc1)NC1(C(=O)NC2CCCC2)CCCCC1,0,0.0,
+O=C(CNC(=O)c1ccccc1)NCCc1nc2ccccc2[nH]1,0,0.0,
+O=C(CNC(=O)c1ccccc1C(=O)O)c1ccccc1,0,0.0,
+O=C(CNC(=O)c1ccco1)NCC(=O)OCc1cccc(C(=O)Oc2ccccc2)c1,0,0.0,
+O=C(CNC(=O)c1ccco1)NCC(=O)OCc1ccccc1Br,0,0.0,
+O=C(CNC(=O)c1ccco1)NCCCc1ccccc1,0,0.0,
+O=C(CNC(=O)c1ccco1)Nc1cc(Cl)ccc1N1CCOCC1,0,0.0,
+O=C(CNC(=O)c1ccco1)OC(C(=O)c1ccccc1)c1ccccc1,0,0.0,
+O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc2c(c1)CCCC2,0,0.0,
+O=C(CNC(=O)c1ccco1)OCC(=O)c1ccccc1,0,0.0,
+O=C(CNC(=O)c1ccco1)OCN1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(CNC(=O)c1ccco1)OCc1c(F)cccc1Cl,0,0.0,
+O=C(CNC(=O)c1ccco1)OCc1ccc(C(=O)Oc2ccccc2)cc1,0,0.0,
+O=C(CNC(=O)c1ccco1)OCc1ccc(Cl)cc1,0,0.0,
+O=C(CNC(=O)c1ccco1)OCc1cccc(Cl)c1,0,0.0,
+O=C(CNC(=O)c1cccs1)NC1=NCCS1,0,0.0,
+O=C(CNC(=O)c1cccs1)NCCN1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CNC(=O)c1cccs1)NCCN1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CNC(=O)c1cccs1)OCC(=O)c1cccs1,0,0.0,
+O=C(CNC(=O)c1cnccn1)Nc1ccc(F)c(F)c1F,0,0.0,
+O=C(CNC1=NCCC1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CNC1C(=O)Nc2ccccc21)Sc1ccccc1,0,0.0,
+O=C(CNC1CCCCCC1)Nc1ccc(S(=O)(=O)NC2CC2)cc1,1,100.0,1.0
+O=C(CNCC1CCCO1)N1CCCc2ccccc21,0,0.0,
+O=C(CNCC1CCCO1)Nc1ccc(N2CCCCCC2)cc1,0,0.0,
+O=C(CNCC1CCCO1)Nc1ccccc1-n1cccc1,0,0.0,
+O=C(CNCC1CCCO1)Nc1ccccc1N1CCOCC1,0,0.0,
+O=C(CNCCC1=CCCCC1)Nc1ccccc1N1CCCCC1,0,0.0,
+O=C(CNCCO)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(CNCc1ccco1)Nc1ccccc1-n1cccc1,0,0.0,
+O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCC(N2CCCCC2)CC1,0,0.0,
+O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCCC1,0,0.0,
+O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(CNS(=O)(=O)c1ccc(Br)s1)NCC1COc2ccccc2O1,0,0.0,
+O=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CNS(=O)(=O)c1ccc(Br)s1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CNS(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1)N1CCCCC1,0,0.0,
+O=C(CNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)N1CCOCC1,0,0.0,
+O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccccc1F,0,0.0,
+O=C(CNS(=O)(=O)c1cccc2nonc12)NCc1ccc(F)cc1,0,0.0,
+O=C(CNS(=O)(=O)c1cccc2nsnc12)NC1CCCCC1,0,0.0,
+O=C(CNS(=O)(=O)c1cccc2nsnc12)NCc1ccc(Cl)cc1,0,0.0,
+O=C(CNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CNS(=O)(=O)c1ccccc1)NCc1ccccn1,0,0.0,
+O=C(CNS(=O)(=O)c1cccs1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CNS(=O)(=O)c1cccs1)N1CCCC1,0,0.0,
+O=C(CNS(=O)(=O)c1cccs1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CNS(=O)(=O)c1cccs1)N1CCc2ccccc2C1,0,0.0,
+O=C(CNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CNc1ccc(Oc2ccccc2)cc1)N1CCOCC1,0,0.0,
+O=C(CNc1ccccc1)Nc1ccc(F)cc1,0,0.0,
+O=C(COC(=O)C(O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(COC(=O)C(O)c1ccccc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCOCC1,0,0.0,
+O=C(COC(=O)C1(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(COC(=O)C1(c2ccccc2F)CCCC1)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1,0,0.0,
+O=C(COC(=O)C12CC3CC(CC(O)(C3)C1)C2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(COC(=O)C12CC3CC(CC(O)(C3)C1)C2)NC(=O)NCc1ccco1,1,100.0,1.0
+O=C(COC(=O)C12CC3CC(CC(O)(C3)C1)C2)Nc1ccccc1OC(F)F,0,0.0,
+O=C(COC(=O)C1=COCCO1)NCCCc1ccccc1,0,0.0,
+O=C(COC(=O)C1=COCCO1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)C1=COCCO1)Nc1ccccc1Oc1ccccc1,0,0.0,
+O=C(COC(=O)C1=COCCO1)Nc1ncc(C(F)(F)F)cc1Cl,0,0.0,
+O=C(COC(=O)C1CC(=O)N(C2CCCCC2)C1)c1ccc(F)cc1,0,0.0,
+O=C(COC(=O)C1CC(=O)N(Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)C1CC(=O)N(Cc2ccco2)C1)c1ccc(OC(=O)c2ccco2)cc1,0,0.0,
+O=C(COC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NC1CCCc2ccccc21,0,0.0,
+O=C(COC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(COC(=O)C1CC(=O)N(c2ccccc2)C1)c1ccccc1,0,0.0,
+O=C(COC(=O)C1CC1)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+O=C(COC(=O)C1CC1)c1c[nH]c2ccccc12,0,0.0,
+O=C(COC(=O)C1CC2C=CC1C2)NCc1ccco1,0,0.0,
+O=C(COC(=O)C1CC2C=CC1C2)Nc1ccc2c(c1)OC(F)(F)O2,0,0.0,
+O=C(COC(=O)C1CCC1)NCc1ccccc1Cl,0,0.0,
+O=C(COC(=O)C1CCC1)Nc1ccc(OC(F)F)cc1,0,0.0,
+O=C(COC(=O)C1CCCC1)c1ccc(OC(F)F)cc1,0,0.0,
+O=C(COC(=O)C1CCCCC1)Nc1ccc(N2CCCCC2)cc1,0,0.0,
+O=C(COC(=O)C1CCCCC1C(=O)N1CCc2ccccc21)NCc1ccco1,0,0.0,
+O=C(COC(=O)C1CCCN1C(=O)c1cccs1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)C1CCCN1C(=O)c1cccs1)c1ccccc1,0,0.0,
+O=C(COC(=O)C1CCCO1)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccco1,0,0.0,
+O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1cc2ccccc2o1,0,0.0,
+O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(COC(=O)C1COc2ccccc2O1)NC(=O)NC1CCCC1,0,0.0,
+O=C(COC(=O)C1COc2ccccc2O1)NC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(COC(=O)C1COc2ccccc2O1)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(COC(=O)C1COc2ccccc2O1)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(COC(=O)C1c2ccccc2Oc2ccccc21)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)CCC(=O)Nc1nccs1)NCc1ccco1,0,0.0,
+O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCC1CCCO1,0,0.0,
+O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)CCC(=O)c1cccs1)NCc1ccco1,0,0.0,
+O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cn1,0,0.0,
+O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ncc(Cl)cc1Cl,0,0.0,
+O=C(COC(=O)CCCNC(=O)c1ccc(Cl)cc1)NC1CC1,0,0.0,
+O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1,1,100.0,0.0
+O=C(COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCCc2ccccc21,0,0.0,
+O=C(COC(=O)CCOc1ccccc1)NCc1ccco1,0,0.0,
+O=C(COC(=O)CCOc1ccccc1)Nc1ccc(Cl)cn1,0,0.0,
+O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ncc(Cl)cc1Cl,0,0.0,
+O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1cccc(Cl)c1,0,0.0,
+O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccccc1,0,0.0,
+O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccccc1Cl,0,0.0,
+O=C(COC(=O)CCc1c[nH]c2ccccc12)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)cn1,0,0.0,
+O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(COC(=O)CN1C(=O)C2CC=CCC2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ncc(Cl)cc1Cl,0,0.0,
+O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(Cl)cn1,0,0.0,
+O=C(COC(=O)CNC(=O)c1ccc(Br)o1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(COC(=O)CNC(=O)c1ccco1)NCCN1C(=O)CSC1=O,0,0.0,
+O=C(COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(COC(=O)COc1ccc(Nc2ccccc2)cc1)NCc1ccco1,0,0.0,
+O=C(COC(=O)COc1ccccc1)Nc1ccccc1OC(F)F,0,0.0,
+O=C(COC(=O)CSCC(=O)N1CCCCC1)NCc1ccc(F)cc1,0,0.0,
+O=C(COC(=O)CSCC(=O)N1CCCCC1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCc1ccccc1,0,0.0,
+O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NCC1CCCO1,0,0.0,
+O=C(COC(=O)Cc1cccs1)Nc1ccccc1,0,0.0,
+O=C(COC(=O)Cc1ccsc1)NC1CCCCCC1,0,0.0,
+O=C(COC(=O)Cc1cn2ccsc2n1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(COC(=O)Cc1cn2ccsc2n1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)Cc1cn2ccsc2n1)Nc1nc2ccccc2s1,0,0.0,
+O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)Cn1cnc2ccccc21)NCCC1=CCCCC1,0,0.0,
+O=C(COC(=O)Cn1cnc2ccccc21)NCCc1ccccc1,0,0.0,
+O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1ccc2c(c1)OCO2,1,100.0,
+O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NCc1ccco1,0,0.0,
+O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC(=O)NC1CCCCC1,0,0.0,
+O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)NC1CCCCC1,0,0.0,
+O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)NCC1CCCO1,0,0.0,
+O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1)c1ccccc1,0,0.0,
+O=C(COC(=O)c1cc2ccccc2o1)c1ccccc1,0,0.0,
+O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)NCC1CCCO1,0,0.0,
+O=C(COC(=O)c1ccc(Br)o1)NCCCc1ccccc1,0,0.0,
+O=C(COC(=O)c1ccc(Br)o1)NCc1ccco1,0,0.0,
+O=C(COC(=O)c1ccc(Br)o1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)NC1CCCC1,0,0.0,
+O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccco1,0,0.0,
+O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NCC1CCCO1,0,0.0,
+O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1nnc(-c2ccccc2)o1,0,0.0,
+O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccccc1,0,0.0,
+O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCC1,0,0.0,
+O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCCCC1,0,0.0,
+O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(-c2ccccc2)cs1,0,0.0,
+O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCCC1=CCCCC1,0,0.0,
+O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccccc1OC(F)F,0,0.0,
+O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCN1C(=O)CSC1=O,0,0.0,
+O=C(COC(=O)c1ccc2c(c1)OCCO2)NCCC1=CCCCC1,0,0.0,
+O=C(COC(=O)c1ccc2c(c1)OCCO2)NCc1ccccc1,0,0.0,
+O=C(COC(=O)c1ccc2c(c1)OCO2)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccc(Cl)cc1,0,0.0,
+O=C(COC(=O)c1ccc[nH]c1=O)NC1CCCC1,0,0.0,
+O=C(COC(=O)c1ccc[nH]c1=O)NCC1CCCO1,0,0.0,
+O=C(COC(=O)c1ccc[nH]c1=O)c1ccc(Cl)s1,0,0.0,
+O=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CCCCC2)n1)NC1CCCCC1,0,0.0,
+O=C(COC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc(Br)cc1,0,0.0,
+O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)NCc1ccco1,0,0.0,
+O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)NCc1ccco1,0,0.0,
+O=C(COC(=O)c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(COC(=O)c1ccccc1)NCc1ccco1,0,0.0,
+O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccco1,0,0.0,
+O=C(COC(=O)c1ccccc1F)c1ccc(-n2nncc2-c2ccco2)cc1,0,0.0,
+O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NCCC1=CCCCC1,0,0.0,
+O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)c1ccccc1Nc1ccccc1)NCc1ccco1,0,0.0,
+O=C(COC(=O)c1ccccc1O)Nc1ccc(OC(F)F)cc1,0,0.0,
+O=C(COC(=O)c1ccccc1Oc1ccccc1)NC1CCS(=O)(=O)C1,1,100.0,0.0
+O=C(COC(=O)c1ccccc1Oc1ccccc1)NCc1ccco1,0,0.0,
+O=C(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)NCC(F)(F)F,0,0.0,
+O=C(COC(=O)c1ccccn1)NCCCc1ccccc1,0,0.0,
+O=C(COC(=O)c1ccccn1)Nc1c(Cl)cccc1Cl,0,0.0,
+O=C(COC(=O)c1ccccn1)Nc1cc(Cl)ccc1Cl,0,0.0,
+O=C(COC(=O)c1ccccn1)Nc1cccc(Cl)c1,0,0.0,
+O=C(COC(=O)c1ccccn1)Nc1cccc(Cl)c1Cl,0,0.0,
+O=C(COC(=O)c1ccccn1)Nc1ccccc1Cl,0,0.0,
+O=C(COC(=O)c1ccccn1)Nc1ncc(C(F)(F)F)cc1Cl,0,0.0,
+O=C(COC(=O)c1ccccn1)Nc1nccs1,0,0.0,
+O=C(COC(=O)c1ccccn1)c1ccc(Br)cc1,0,0.0,
+O=C(COC(=O)c1cccnc1)Nc1ccc(F)cc1,0,0.0,
+O=C(COC(=O)c1cccnc1)Nc1cccc(Cl)c1,0,0.0,
+O=C(COC(=O)c1cccnc1)c1ccc(Cl)cc1,0,0.0,
+O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NCCN1C(=O)CSC1=O,0,0.0,
+O=C(COC(=O)c1cccnc1Nc1ccccc1F)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)c1ccco1)NC1CCCCC1,0,0.0,
+O=C(COC(=O)c1ccco1)NCC1CCCO1,0,0.0,
+O=C(COC(=O)c1ccco1)NCc1ccco1,0,0.0,
+O=C(COC(=O)c1ccco1)NCc1cccs1,0,0.0,
+O=C(COC(=O)c1ccco1)Nc1ccc(Br)cc1,0,0.0,
+O=C(COC(=O)c1ccco1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(COC(=O)c1ccco1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)c1ccco1)Nc1cccc(Br)c1,0,0.0,
+O=C(COC(=O)c1ccco1)Nc1ccccc1,0,0.0,
+O=C(COC(=O)c1ccco1)Nc1nc2ccccc2s1,0,0.0,
+O=C(COC(=O)c1cccs1)NC1CCCCC1,0,0.0,
+O=C(COC(=O)c1cccs1)NCC1CCCO1,0,0.0,
+O=C(COC(=O)c1cccs1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)c1cccs1)NCc1ccccc1,0,0.0,
+O=C(COC(=O)c1cccs1)NCc1ccco1,0,0.0,
+O=C(COC(=O)c1cccs1)Nc1ccccc1,0,0.0,
+O=C(COC(=O)c1cccs1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(COC(=O)c1cccs1)c1ccccc1,0,0.0,
+O=C(COC(=O)c1ccncc1)NCc1ccccc1,0,0.0,
+O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)NC1CC1,0,0.0,
+O=C(COC(=O)c1cncc(Br)c1)NCC1CCCO1,0,0.0,
+O=C(COC(=O)c1cncc(Br)c1)NCCC1=CCCCC1,0,0.0,
+O=C(COC(=O)c1cncc(Br)c1)NCc1ccco1,0,0.0,
+O=C(COC(=O)c1cnccn1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COC(=O)c1cnccn1)c1ccc(Br)cc1,0,0.0,
+O=C(COC(=O)c1cnccn1)c1ccc(OC(=O)c2ccccc2)cc1,0,0.0,
+O=C(COC(=O)c1cnccn1)c1ccc2c(c1)CCCC2,0,0.0,
+O=C(COC(=O)c1cnccn1)c1ccccc1,0,0.0,
+O=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NC1CCCCC1,0,0.0,
+O=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NCc1ccco1,0,0.0,
+O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(COCCOCC(=O)N(c1ccccn1)C1CCCCC1)N(c1ccccn1)C1CCCCC1,0,0.0,
+O=C(COCc1nc2ccccc2c(=O)[nH]1)NC1CCCC1,0,0.0,
+O=C(COc1c(F)c(F)c(C(F)(F)F)c(F)c1F)Nc1ccc(N2CCOCC2)c(Cl)c1,0,0.0,
+O=C(COc1c(F)c(F)cc(F)c1F)NC(=O)NC1CCCC1,1,100.0,1.0
+O=C(COc1cc(=O)n2c(n1)SCCC2)c1ccccc1,0,0.0,
+O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCN1CCOCC1,0,0.0,
+O=C(COc1cc(Cl)c(Cl)cc1Cl)Nn1cnnc1,0,0.0,
+O=C(COc1cc(Cl)ccc1Cl)Nc1nnc(CC(=O)N2CCOCC2)s1,0,0.0,
+O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cccnc2)CC1,0,0.0,
+O=C(COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1)N1CCCCC1,0,0.0,
+O=C(COc1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,0,0.0,
+O=C(COc1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(COc1ccc(-c2nnco2)cc1)NC1CCCc2ccccc21,0,0.0,
+O=C(COc1ccc(-n2cnnn2)cc1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(COc1ccc(-n2cnnn2)cc1)NC(=O)NCc1ccccc1,0,0.0,
+O=C(COc1ccc(-n2cnnn2)cc1)NC1CCCCC1,0,0.0,
+O=C(COc1ccc(-n2cnnn2)cc1)NCCc1ccc(F)cc1,0,0.0,
+O=C(COc1ccc(=O)n(-c2ccccc2)n1)Nc1ccccc1,0,0.0,
+O=C(COc1ccc(Br)cc1)N1CCCCCC1,0,0.0,
+O=C(COc1ccc(Br)cc1)N1CCN(C2CCCC2)CC1,0,0.0,
+O=C(COc1ccc(Br)cc1)N1CCN(Cc2ccncc2)CC1,0,0.0,
+O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+O=C(COc1ccc(Br)cc1)OCc1nnc(-c2ccccc2)o1,0,0.0,
+O=C(COc1ccc(Br)cc1CO)Nc1ccc(F)cc1,0,0.0,
+O=C(COc1ccc(Br)cc1CO)Nc1ccccc1F,0,0.0,
+O=C(COc1ccc(Br)cc1Cl)N1CCCC1,0,0.0,
+O=C(COc1ccc(CO)cc1)Nc1ccc(F)cc1,0,0.0,
+O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(F)c2)CC1,0,0.0,
+O=C(COc1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(COc1ccc(Cl)cc1)NC1CCSC1=O,0,0.0,
+O=C(COc1ccc(Cl)cc1)NC1CN2CCC1CC2,1,100.0,1.0
+O=C(COc1ccc(Cl)cc1)NCCCn1ccnc1,0,0.0,
+O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)N2CCCCC2)o1,0,0.0,
+O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)N2CCCc3ccccc32)o1,0,0.0,
+O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NC2CCCC2)o1,0,0.0,
+O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NC2CCCCC2)o1,0,0.0,
+O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NCCc2ccccc2)o1,0,0.0,
+O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)o1,0,0.0,
+O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)o1,0,0.0,
+O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)Nc2ccccc2)o1,0,0.0,
+O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)c2ccccc2)o1,0,0.0,
+O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cn1,0,0.0,
+O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1,0,0.0,
+O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1,0,0.0,
+O=C(COc1ccc(Cl)cc1)Nc1ccccc1CO,0,0.0,
+O=C(COc1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1,0,0.0,
+O=C(COc1ccc(Cl)cc1)Nc1nc(-c2cccs2)cs1,0,0.0,
+O=C(COc1ccc(Cl)cc1)Nc1ncccn1,0,0.0,
+O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1,0,0.0,
+O=C(COc1ccc(Cl)cc1)OCC(=O)N1CCCC1,0,0.0,
+O=C(COc1ccc(Cl)cc1)OCC(=O)N1CCCCCC1,0,0.0,
+O=C(COc1ccc(Cl)cc1Br)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)NC(=O)N1CCCCC1,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)NC(=O)N1CCOCC1,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)NC1CCSC1=O,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)NCCCN1CCOCC1,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)NCCCn1ccnc1,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)NCc1ccco1,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)NCc1ccncc1,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cn1,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nc3n(c(=O)c2c1)CCCC3,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)Nc1ccccn1,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)Nc1nc2n(n1)C(c1ccccc1)CC(=O)N2,0,0.0,
+O=C(COc1ccc(Cl)cc1Cl)Nc1noc2ccccc12,0,0.0,
+O=C(COc1ccc(F)c(Cl)c1)c1ccc[nH]1,0,0.0,
+O=C(COc1ccc(F)cc1)N(CC1=CCS(=O)(=O)C1)c1ccccc1,0,0.0,
+O=C(COc1ccc(F)cc1)NC1CC1,0,0.0,
+O=C(COc1ccc(F)cc1)NCC1CCCO1,0,0.0,
+O=C(COc1ccc(F)cc1)Nc1ccc(-n2cnnn2)cc1,0,0.0,
+O=C(COc1ccc(F)cc1)Nc1nccs1,0,0.0,
+O=C(COc1ccc(F)cc1)OCCN1CCOCC1,0,0.0,
+O=C(COc1ccc(F)cc1Br)N1CCc2ccccc21,0,0.0,
+O=C(COc1ccc(F)cc1Br)NCc1ccccn1,0,0.0,
+O=C(COc1ccc(N2CC(C(=O)O)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(COc1ccc(OCc2ccccc2)cc1)NC1CCOC1=O,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCC1=CCCCC1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccco1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NC1CC1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCc1ccco1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCCC1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCCCC1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccncc1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCC1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCc1ccccn1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCCCCC1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCC1CCCO1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccn1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCC1CCCO1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1cccnc1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCCC1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCC1CCCO1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)N1CCOCC1,0,0.0,
+O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCOCC1,0,0.0,
+O=C(COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2)NCc1ccccn1,0,0.0,
+O=C(COc1ccc2c(c1)CCC2)N1CCc2ccccc21,0,0.0,
+O=C(COc1ccc2c(c1)OCO2)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(COc1ccc2c(c1)OCO2)Nc1ccc2c(c1)oc1ccccc12,0,0.0,
+O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC1CCCCC1,0,0.0,
+O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc2c(c1)OCO2,0,0.0,
+O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(COc1ccc2ccccc2c1)N1CCCC1,0,0.0,
+O=C(COc1ccc2ccccc2c1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1,1,100.0,0.0
+O=C(COc1ccc2ccccc2c1)N1CCN(c2ccccc2O)CC1,0,0.0,
+O=C(COc1ccc2ccccc2c1Br)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(COc1ccc2ccccc2c1Br)N1CCOCC1,0,0.0,
+O=C(COc1ccc2ccccc2c1Br)Nc1ncn[nH]1,0,0.0,
+O=C(COc1ccc2ccccc2c1Br)Nn1cnnc1,0,0.0,
+O=C(COc1ccc2ccccc2c1CN1CCOCC1)N1CCc2ccccc21,1,100.0,1.0
+O=C(COc1ccc2oc(-c3ccccc3)cc(=O)c2c1)NCc1ccco1,0,0.0,
+O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccn1,0,0.0,
+O=C(COc1cccc(-n2cnnn2)c1)N1CCOCC1,0,0.0,
+O=C(COc1cccc(-n2cnnn2)c1)NCCC1=CCCCC1,0,0.0,
+O=C(COc1cccc(C(F)(F)F)c1)NCCCN1CCCC1=O,0,0.0,
+O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(COc1cccc(NC(=O)c2ccco2)c1)c1ccc(F)cc1,0,0.0,
+O=C(COc1cccc(NC(=O)c2ccco2)c1)c1ccccc1,0,0.0,
+O=C(COc1cccc(OC(F)F)c1)Nc1ccc(SC(F)F)cc1,0,0.0,
+O=C(COc1cccc(Oc2ccccc2)c1)Nc1ncccn1,0,0.0,
+O=C(COc1cccc2ccccc12)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(COc1cccc2ccccc12)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(COc1cccc2cccnc12)N1CCc2ccccc2C1,0,0.0,
+O=C(COc1cccc2cccnc12)NCC(F)(F)F,0,0.0,
+O=C(COc1cccc2cccnc12)Nc1nccs1,0,0.0,
+O=C(COc1ccccc1)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(COc1ccccc1)N(Cc1ccco1)c1ccc(O)cc1,0,0.0,
+O=C(COc1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(COc1ccccc1)N1CCN(C(=O)c2cccc(F)c2)CC1,0,0.0,
+O=C(COc1ccccc1)N1CCN(C(=O)c2cccs2)CC1,0,0.0,
+O=C(COc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(COc1ccccc1)N1CCN(C2CCCC2)CC1,0,0.0,
+O=C(COc1ccccc1)N1CCN(CC(O)COc2ccccc2)CC1,0,0.0,
+O=C(COc1ccccc1)N1CCN(CC2CC3C=CC2C3)CC1,0,0.0,
+O=C(COc1ccccc1)N1CCN(Cc2c[nH]c3ccccc23)CC1,0,0.0,
+O=C(COc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(COc1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,0,0.0,
+O=C(COc1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1,0,0.0,
+O=C(COc1ccccc1)N1CCN=C1SCc1cccnc1,0,0.0,
+O=C(COc1ccccc1)N1CCN=C1c1ccccc1,0,0.0,
+O=C(COc1ccccc1)N1CCNC1=O,0,0.0,
+O=C(COc1ccccc1)N1CCc2ccccc2C1,0,0.0,
+O=C(COc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)O,0,0.0,
+O=C(COc1ccccc1)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(COc1ccccc1)NCC(=O)NC1=NCCS1,0,0.0,
+O=C(COc1ccccc1)NCC(c1cccs1)N1CCOCC1,0,0.0,
+O=C(COc1ccccc1)NCCSCc1ccco1,0,0.0,
+O=C(COc1ccccc1)NCCSc1ccccc1,0,0.0,
+O=C(COc1ccccc1)NCCc1cn2ccsc2n1,0,0.0,
+O=C(COc1ccccc1)NCCc1nc2ccccc2[nH]1,0,0.0,
+O=C(COc1ccccc1)NCCn1ccc2ccccc21,0,0.0,
+O=C(COc1ccccc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(COc1ccccc1)NCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1,0,0.0,
+O=C(COc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+O=C(COc1ccccc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1,0,0.0,
+O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0.0,
+O=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CCOC1,0,0.0,
+O=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CCSC1,0,0.0,
+O=C(COc1ccccc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1,0,0.0,
+O=C(COc1ccccc1)Nc1cccc2nsnc12,0,0.0,
+O=C(COc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1,0,0.0,
+O=C(COc1ccccc1)Nc1ccccc1N1CCCCC1,0,0.0,
+O=C(COc1ccccc1)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(COc1ccccc1)Nc1ccccc1N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(COc1ccccc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1,0,0.0,
+O=C(COc1ccccc1)Nc1nc(-c2cccs2)cs1,0,0.0,
+O=C(COc1ccccc1)Nc1nc2ccccc2[nH]1,0,0.0,
+O=C(COc1ccccc1)Nc1ncc2c(n1)CCCC2=O,0,0.0,
+O=C(COc1ccccc1)Nc1nn[nH]n1,0,0.0,
+O=C(COc1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1,0,0.0,
+O=C(COc1ccccc1)Nc1nnc(-c2ccccc2)o1,0,0.0,
+O=C(COc1ccccc1)Nn1cnc2ccccc21,0,0.0,
+O=C(COc1ccccc1)OC1CN2CCC1CC2,1,100.0,1.0
+O=C(COc1ccccc1)OCc1cc2ccccc2[nH]c1=O,0,0.0,
+O=C(COc1ccccc1)c1cn(CC(=O)N2CCOCC2)c2ccccc12,0,0.0,
+O=C(COc1ccccc1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1,0,0.0,
+O=C(COc1ccccc1Br)c1ccc(O)cc1O,1,100.0,0.0
+O=C(COc1ccccc1Cl)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(COc1ccccc1Cl)N1CCCC1,0,0.0,
+O=C(COc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(COc1ccccc1Cl)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(COc1ccccc1Cl)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(COc1ccccc1Cl)NC(=O)NC1CCCC1,1,100.0,1.0
+O=C(COc1ccccc1Cl)NCCCN1CCOCC1,0,0.0,
+O=C(COc1ccccc1Cl)NCc1ccco1,0,0.0,
+O=C(COc1ccccc1Cl)NCc1ccncc1,0,0.0,
+O=C(COc1ccccc1Cl)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(COc1ccccc1Cl)Nn1cnnc1,0,0.0,
+O=C(COc1ccccc1Cl)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(COc1ccccc1F)NC1CC1,0,0.0,
+O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0.0,
+O=C(COc1ccccc1O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(COc1ccccc1O)Nc1ccc(Cl)cc1,0,0.0,
+O=C(COc1ccccc1O)Nc1ccccc1Cl,0,0.0,
+O=C(COc1ccccc1O)c1cccs1,0,0.0,
+O=C(COc1cnc2ccccc2n1)NCCC1=CCCCC1,0,0.0,
+O=C(COc1nc2ccccc2nc1N1CCOCC1)N1CCc2ccccc21,0,0.0,
+O=C(COc1ncnc2c(Cl)cc(Cl)cc12)N1CCCCC1,0,0.0,
+O=C(COc1ncnc2ccc(Br)cc12)N1CCOCC1,0,0.0,
+O=C(COc1ncnc2ccc(Br)cc12)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(COc1ncnc2ccccc12)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(COc1ncnc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(COc1ncnc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(COc1ncnc2ccccc12)N1CCOCC1,0,0.0,
+O=C(COc1ncnc2ccccc12)NC(=O)NCc1ccccc1,0,0.0,
+O=C(COc1ncnc2ccccc12)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(COc1ncnc2ccccc12)NCCC1=CCCCC1,0,0.0,
+O=C(COc1ncnc2ccccc12)NCCCN1CCCC1=O,0,0.0,
+O=C(COc1ncnc2ccccc12)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(COc1ncnc2ccccc12)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(COc1ncnc2sccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(COc1ncnc2sccc12)N1CCc2ccccc2C1,0,0.0,
+O=C(COc1ncnc2sccc12)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(COc1nnc2ccccn12)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(COc1nncc2ccccc12)NCCC1=CCCCC1,0,0.0,
+O=C(COc1nnnc2ccccc12)N1CCCc2ccccc21,0,0.0,
+O=C(COc1nsnc1N1CCOCC1)N1CCOCC1,0,0.0,
+O=C(COn1nnc2ccc(C(F)(F)F)cc21)Nc1nnc(-c2ccccc2)o1,0,0.0,
+O=C(COn1nnc2ccc(Cl)cc21)NCc1ccccc1,0,0.0,
+O=C(COn1nnc2ccccc21)NCC1CCCCC1,1,100.0,0.0
+O=C(CP(=O)(CO)CO)c1ccc(Cl)cc1,0,0.0,
+O=C(CP(=O)(c1ccccc1)c1ccccc1)N1CCCCC1,0,0.0,
+O=C(CP(=O)(c1ccccc1)c1ccccc1)Nn1cnnc1,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)N1CCc2ccccc21,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)N1CCc2ccccc2C1,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccn1,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)Nc1cccnc1,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2ccccc2s1,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)Nc1ncccn1,0,0.0,
+O=C(CS(=O)(=O)Cc1ccccc1)Nc1nnc(C2CCCCC2)s1,0,0.0,
+O=C(CS(=O)(=O)c1c[nH]c2ccccc12)N1CCCCC1,0,0.0,
+O=C(CS(=O)(=O)c1c[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CS(=O)(=O)c1ccccc1)N1CCCCCC1,0,0.0,
+O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccccc2)cs1,0,0.0,
+O=C(CS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCCC1,0,0.0,
+O=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCOCC1,0,0.0,
+O=C(CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)N1CCCCC1,0,0.0,
+O=C(CS(=O)(=O)c1cn(Cc2cccc(F)c2)c2ccccc12)N1CCCCC1,0,0.0,
+O=C(CS(=O)(=O)c1cn(Cc2cccc(F)c2)c2ccccc12)N1CCOCC1,0,0.0,
+O=C(CS(=O)(=O)c1cn(Cc2ccccc2Cl)c2ccccc12)N1CCOCC1,0,0.0,
+O=C(C[S+]([O-])CC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccc(F)cc1,0,0.0,
+O=C(C[S+]([O-])CC(=O)N(CC(=O)NC1CCCC1)C1CCCCC1)Nc1ccc(F)cc1,0,0.0,
+O=C(C[S+]([O-])CC(=O)Nc1ccc(Cl)cc1)NCC1OCCc2ccccc21,0,0.0,
+O=C(C[S+]([O-])CC(=O)Nc1cccc2c1CCCC2)Nc1ccc(F)cc1,0,0.0,
+O=C(CSC1=NC(=O)C(Cc2ccccc2)C(=O)N1)NC1CCCCC1,0,0.0,
+O=C(CSC1=NC(=O)C(Cc2ccccc2)C(=O)N1)Nc1ncccn1,0,0.0,
+O=C(CSC1=NCCN1)C1COc2ccccc2O1,0,0.0,
+O=C(CSC1=NCCN1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(CSC1=NCCS1)N1CCCC1,0,0.0,
+O=C(CSC1=NCCS1)N1CCCCCC1,0,0.0,
+O=C(CSC1=NCCS1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSC1=NCCS1)N1CCOCC1,1,100.0,
+O=C(CSC1=NCCS1)N1CCc2ccccc21,0,0.0,
+O=C(CSC1=NCCS1)NC1CCCCC1,0,0.0,
+O=C(CSC1=NCCS1)NCc1ccco1,0,0.0,
+O=C(CSC1=NCCS1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+O=C(CSC1=NCCS1)Nc1ccccc1F,0,0.0,
+O=C(CSC1=NCCS1)Nc1ccnc2ccccc12,0,0.0,
+O=C(CSC1=NCCS1)Nc1nc(-c2ccccc2)cs1,0,0.0,
+O=C(CSC1=NCCS1)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(CSC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1,0,0.0,
+O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N12)NCc1ccco1,0,0.0,
+O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccco3)C(=O)N12)NCC1CCCO1,0,0.0,
+O=C(CSC1=Nc2ccccc2C2=NC(c3ccccc3)C(=O)N12)NCC1CCCO1,0,0.0,
+O=C(CSC1CCCCC1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSC1CCCCC1)Nc1nccs1,0,0.0,
+O=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2ccc(Cl)s2)cs1,0,0.0,
+O=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2cccs2)cs1,0,0.0,
+O=C(CSCC(=O)N1CCCCC1)OCC(=O)c1c[nH]c2ccccc12,0,0.0,
+O=C(CSCC(=O)N1CCOCC1)Nc1ccccc1,0,0.0,
+O=C(CSCC(=O)N1CCOCC1)Nc1nc(-c2ccc3c(c2)OCO3)cs1,0,0.0,
+O=C(CSCC(=O)NCc1ccco1)NCc1ccco1,0,0.0,
+O=C(CSCC(=O)Nc1nccs1)Nc1ccccc1,0,0.0,
+O=C(CSCC(=O)OCn1nnc2ccccc2c1=O)Nc1ccc(Cl)cc1,0,0.0,
+O=C(CSCCNS(=O)(=O)c1ccccc1)Nc1ccccc1,0,0.0,
+O=C(CSCCO)N1CCc2ccccc21,0,0.0,
+O=C(CSCCO)Nc1cc(C(F)(F)F)ccc1Cl,0,0.0,
+O=C(CSCCO)Nc1ccc(C2CCCCC2)cc1,0,0.0,
+O=C(CSCCO)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CSCCO)Nc1cccc2ccccc12,0,0.0,
+O=C(CSCCO)Nc1nccs1,0,0.0,
+O=C(CSCCSCC(=O)c1ccco1)c1ccco1,0,0.0,
+O=C(CSCCc1ccccn1)Nc1ccccn1,0,0.0,
+O=C(CSCCc1ccccn1)Nc1cccnc1,0,0.0,
+O=C(CSCSCC(=O)NCC1CCCO1)NCC1CCCO1,0,0.0,
+O=C(CSCSCC(=O)Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSCc1c(F)cccc1Cl)NCc1ccco1,0,0.0,
+O=C(CSCc1ccc(Br)cc1)N1CCOCC1,0,0.0,
+O=C(CSCc1ccc(Cl)cc1)NCC1CCCO1,0,0.0,
+O=C(CSCc1ccc(Cl)cc1)c1ccco1,0,0.0,
+O=C(CSCc1ccc(F)cc1)NC1CCCC1,0,0.0,
+O=C(CSCc1cccc(Br)c1)N1CCOCC1,0,0.0,
+O=C(CSCc1cccc(F)c1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSCc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(CSCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CSCc1ccccc1)NC1CCSC1=O,0,0.0,
+O=C(CSCc1ccccc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSCc1ccccc1)Nc1nccs1,0,0.0,
+O=C(CSCc1ccccc1Cl)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CSCc1ccccn1)Nc1ccccc1,0,0.0,
+O=C(CSCc1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+O=C(CSCc1ccco1)c1ccc(Cl)s1,0,0.0,
+O=C(CSCc1ccco1)c1cccs1,0,0.0,
+O=C(CSCc1cccs1)N1CCCC1,0,0.0,
+O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCC1CCCO1,0,0.0,
+O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCCN1CCOCC1,1,100.0,1.0
+O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCc1cccs1,0,0.0,
+O=C(CSCc1n[nH]c(=O)[nH]1)NCCOc1cccc(Oc2ccccc2)c1,0,0.0,
+O=C(CSCc1nc2ccccc2[nH]1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CSCc1nc2ccccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1c[nH]c2ccccc12)N1CCOCC1,0,0.0,
+O=C(CSc1cc(Cl)ccc1Cl)NCC1CCCO1,0,0.0,
+O=C(CSc1ccc(-c2ccc(F)cc2)nn1)N1CCCCC1,0,0.0,
+O=C(CSc1ccc(-c2ccccc2)nn1)N1CCOCC1,0,0.0,
+O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1ccc(Cl)cc1)N1CCOCC1,0,0.0,
+O=C(CSc1ccc(Cl)cc1)NC1CCCC1,0,0.0,
+O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+O=C(CSc1ccc(Cl)cc1)Nn1cnnc1,0,0.0,
+O=C(CSc1ccc(Cl)cc1)OCc1nnc(-c2ccccc2)o1,0,0.0,
+O=C(CSc1ccc(Cl)cc1)c1ccco1,0,0.0,
+O=C(CSc1ccc2c(c1)OCCO2)NC(=O)NC1CCCC1,0,0.0,
+O=C(CSc1ccc2c(c1)OCCO2)NCC1CCCO1,0,0.0,
+O=C(CSc1ccc2c(c1)OCCO2)NCCN1C(=O)CSC1=O,0,0.0,
+O=C(CSc1ccc2c(c1)OCCO2)NCc1ccco1,0,0.0,
+O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cn1,1,100.0,0.0
+O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)N1CCCC1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)N1CCCCC1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)N1CCOCC1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)NCC1CCCO1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)NCc1ccco1,0,0.0,
+O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)NCC1CCCO1,0,0.0,
+O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)NCc1ccco1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)N1CCCCC1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)NCC1CCCO1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)NCc1ccco1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N1CCOCC1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCC1CCCO1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccco1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCOCC1,0,0.0,
+O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCC1CCCO1,0,0.0,
+O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCc1ccco1,0,0.0,
+O=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCOCC1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)NCC1CCCO1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)NCc1ccco1,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccccc1F,0,0.0,
+O=C(CSc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(CSc1cccc(C(F)(F)F)c1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CSc1cccc2cccnc12)N1CCCC1,0,0.0,
+O=C(CSc1cccc2cccnc12)NCc1ccco1,0,0.0,
+O=C(CSc1cccc[n+]1[O-])c1cc2ccccc2o1,0,0.0,
+O=C(CSc1ccccc1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(CSc1ccccc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1ccccc1)NCCCN1CCOCC1,0,0.0,
+O=C(CSc1ccccc1)NCc1cccnc1,0,0.0,
+O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+O=C(CSc1ccccc1)Nc1ccccc1N1CCOCC1,0,0.0,
+O=C(CSc1ccccc1)Nc1cccnc1,0,0.0,
+O=C(CSc1ccccc1)Nc1ccncc1,0,0.0,
+O=C(CSc1ccccc1C(=O)NCCCN1CCCC1=O)NCc1ccco1,0,0.0,
+O=C(CSc1ccccc1C(=O)O)NCc1ccco1,0,0.0,
+O=C(CSc1ccccc1C(=O)O)Nc1cccc(C(=O)O)c1,0,0.0,
+O=C(CSc1ccccc1Cl)c1ccco1,0,0.0,
+O=C(CSc1ccccn1)N1CCN(C(=O)CSc2ccccn2)CC1,0,0.0,
+O=C(CSc1ccccn1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1ccccn1)Nc1ccc(Br)cn1,0,0.0,
+O=C(CSc1ccccn1)c1ccc(F)cc1,0,0.0,
+O=C(CSc1ccccn1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12)NCc1ccco1,0,0.0,
+O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NCC1CCCO1,0,0.0,
+O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1nccs1,0,0.0,
+O=C(CSc1n[nH]c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1)Nc1nccs1,0,0.0,
+O=C(CSc1n[nH]c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)n1)N1CCCC1,0,0.0,
+O=C(CSc1n[nH]c(-c2ccccc2)n1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccc(O)c(O)c1,0,0.0,
+O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccccc1,0,0.0,
+O=C(CSc1n[nH]c(-c2ccccc2Br)n1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CSc1n[nH]c(-c2ccccc2O)n1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ccnc2ccccc12,0,0.0,
+O=C(CSc1n[nH]c(-c2ccco2)n1)N1c2ccccc2Sc2ccccc21,0,0.0,
+O=C(CSc1n[nH]c(-c2ccco2)n1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2,0,0.0,
+O=C(CSc1n[nH]c(-c2cccs2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(CSc1n[nH]c(-c2cccs2)n1)NCc1cccs1,0,0.0,
+O=C(CSc1n[nH]c(-c2ccncc2)n1)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(CSc1n[nH]c(-c2ccncc2)n1)NCCc1ccccc1,0,0.0,
+O=C(CSc1n[nH]c(-c2ccncc2)n1)Nc1ccccn1,0,0.0,
+O=C(CSc1n[nH]c(-c2ccncc2)n1)c1ccccc1,0,0.0,
+O=C(CSc1n[nH]c(=O)[nH]c1=O)c1ccccc1,0,0.0,
+O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1cc(Cl)ccc1Oc1ccccc1,1,100.0,
+O=C(CSc1n[nH]c(C2CCCC2)n1)NC1CCCC1,0,0.0,
+O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NCCN1CCOCC1,0,0.0,
+O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCOCC1,0,0.0,
+O=C(CSc1nc(-c2ccc(F)cc2)cs1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCOCC1,0,0.0,
+O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)N1CCOCC1,0,0.0,
+O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccn1,0,0.0,
+O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)NCCN1CCOCC1,0,0.0,
+O=C(CSc1nc(-c2ccccc2)cs1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nc(-c2ccccc2)cs1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CSc1nc(-c2ccccc2)cs1)NCc1ccco1,0,0.0,
+O=C(CSc1nc(-c2ccccc2)cs1)Nc1nccs1,0,0.0,
+O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)N1CCOCC1,0,0.0,
+O=C(CSc1nc(-c2ccccc2Cl)ns1)NCc1ccco1,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCSCC1,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCc2ccccc2C1,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCC1,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCC1CCCO1,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCCn1ccnc1,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCc1ccccc1,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1cccs1,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(C(=O)N2CCCCC2)cc1,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cccnc1,0,0.0,
+O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCCCn1ccnc1,0,0.0,
+O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCc1ccco1,0,0.0,
+O=C(CSc1nc(-c2ccncc2)nn1CC(=O)N1CCCCC1)NC1CCCC1,0,0.0,
+O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)NCc1ccco1,0,0.0,
+O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)NCCN1C(=O)CSC1=O,0,0.0,
+O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)NC1CCCCC1,0,0.0,
+O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)Nc1nccs1,0,0.0,
+O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1,0,0.0,
+O=C(CSc1nc(NS(=O)(=O)c2ccccc2)cc(=O)[nH]1)Nc1ccc(F)cc1,0,0.0,
+O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)N1CCCC1,0,0.0,
+O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccccc1Cl,0,0.0,
+O=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)NCC1CCCO1,0,0.0,
+O=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccccc1,0,0.0,
+O=C(CSc1nc(O)c(Cc2ccccc2F)c(=O)[nH]1)N1CCCCCC1,0,0.0,
+O=C(CSc1nc(O)cc(=O)[nH]1)C1CC1,0,0.0,
+O=C(CSc1nc(O)cc(=O)[nH]1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nc(O)cc(=O)[nH]1)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)N1CCCCC1,0,0.0,
+O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)NCc1ccccc1,0,0.0,
+O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1Br)NCc1ccco1,0,0.0,
+O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(Cl)c1)N1CCOCC1,0,0.0,
+O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)N1CCOCC1,0,0.0,
+O=C(CSc1nc2c(c(=O)[nH]1)CCC2)Nc1cccc(Cl)c1,0,0.0,
+O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1ccc(Cl)cc1F,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccco1,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)Nc1nccs1,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)N1CCCC1,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)N1CCOCC1,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NCC1CCCO1,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NCc1ccco1,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1nccs1,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)N1CCCC1,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)NCC1CCCO1,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)NCc1ccco1,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)N1CCOCC1,0,0.0,
+O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)NCc1ccco1,0,0.0,
+O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1)N1CCCCC1,0,0.0,
+O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1)N1CCCCCC1,0,0.0,
+O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1)N1CCOCC1,0,0.0,
+O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCOCC1,0,0.0,
+O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc(Cl)cc1,0,0.0,
+O=C(CSc1nc2c(sc3ccccc32)c(=O)n1Cc1ccco1)NCC1CCCO1,0,0.0,
+O=C(CSc1nc2cc(Cl)ccc2o1)N1CCOCC1,0,0.0,
+O=C(CSc1nc2cc(Cl)ccc2o1)c1cccs1,0,0.0,
+O=C(CSc1nc2cc(Cl)ccc2s1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nc2cc(Cl)ccc2s1)NC(=O)NCc1ccco1,1,100.0,0.0
+O=C(CSc1nc2cc(Cl)ccc2s1)c1ccco1,0,0.0,
+O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)NC1CCCc2ccccc21,0,0.0,
+O=C(CSc1nc2cc3c(cc2c(=O)n1CCC1=CCCCC1)OCO3)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)N1CCOCC1,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)N1CCCCC1,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)NCCCn1ccnc1,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)NCCN1CCCCC1,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1N1CCOCC1,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)c1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2[nH]1)c1cccs1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CCCCC1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CCCCCC1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CCOCC1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)[nH]1)c1ccc(O)c(O)c1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)[nH]1)c1cccs1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCN(CCO)CC1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1C1CC1)NCc1ccccc1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1CC1CCCCC1)N1CCOCC1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1CC1CCCO1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1CC1CCCO1)NCC1CCCO1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCCCC1)NCc1ccccc1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1CCCC(=O)N1CCCC1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1CCCO)NCc1ccccc1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CC2)cc1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCCCCC1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccccc1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc(F)cc1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccccc1,0,0.0,
+O=C(CSc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2n1-c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1nccs1,0,0.0,
+O=C(CSc1nc2ccccc2n1CC(=O)NCc1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2nc1SCC(=O)N1CCCCC1)N1CCCCC1,0,0.0,
+O=C(CSc1nc2ccccc2nc1SCC(=O)N1CCOCC1)N1CCOCC1,0,0.0,
+O=C(CSc1nc2ccccc2o1)N1CCCC1,0,0.0,
+O=C(CSc1nc2ccccc2o1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nc2ccccc2o1)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(CSc1nc2ccccc2o1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nc2ccccc2o1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2o1)NCC(=O)c1ccccc1,0,0.0,
+O=C(CSc1nc2ccccc2o1)NCCOc1ccccc1,0,0.0,
+O=C(CSc1nc2ccccc2o1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nc2ccccc2o1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2o1)NCc1n[nH]c(=O)c2ccccc12,0,0.0,
+O=C(CSc1nc2ccccc2o1)Nc1ccc(N2CCOCC2)c(Cl)c1,0,0.0,
+O=C(CSc1nc2ccccc2o1)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(CSc1nc2ccccc2o1)Nc1ccccc1,0,0.0,
+O=C(CSc1nc2ccccc2o1)Nc1ccccc1N1CCCCCC1,0,0.0,
+O=C(CSc1nc2ccccc2o1)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1,0,0.0,
+O=C(CSc1nc2ccccc2o1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nc2ccccc2s1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nc2ccccc2s1)N1CCOCC1,0,0.0,
+O=C(CSc1nc2ccccc2s1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccccc2s1)NCCCN1CCOCC1,0,0.0,
+O=C(CSc1nc2ccccc2s1)Nc1ncccn1,0,0.0,
+O=C(CSc1nc2ccccc2s1)Nn1cnnc1,0,0.0,
+O=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccncc2[nH]1)Nc1ccccc1C(F)(F)F,0,0.0,
+O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)N1CCCC1,0,0.0,
+O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1)Nc1nccs1,0,0.0,
+O=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]1)NCc1ccco1,0,0.0,
+O=C(CSc1nc2nc[nH]c2c(=O)[nH]1)NC1CCCCC1,0,0.0,
+O=C(CSc1nc2ncc(Br)cc2[nH]1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nc2ncccc2[nH]1)NCc1ccccc1,0,0.0,
+O=C(CSc1nc2ncccc2[nH]1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nc2ncccc2[nH]1)c1ccc(F)cc1,0,0.0,
+O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCCO,0,0.0,
+O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCc1ccco1,0,0.0,
+O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)N1CCOCC1,0,0.0,
+O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)N1CCCCC1,0,0.0,
+O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)NCc1ccco1,0,0.0,
+O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)Nc1cccc(O)c1,0,0.0,
+O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1nccs1,0,0.0,
+O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1ncc(-c2ccccc2)n1CC1CCCO1)N1CCCCC1,0,0.0,
+O=C(CSc1ncc(-c2ccccc2)nn1)NCc1ccco1,0,0.0,
+O=C(CSc1ncc(C(F)(F)F)cc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(CSc1nccc(=O)[nH]1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nccc(=O)[nH]1)N1c2ccccc2CCc2ccccc21,0,0.0,
+O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Br)c(Cl)c1,0,0.0,
+O=C(CSc1nccc(=O)[nH]1)Nc1ccc(F)c(Cl)c1,0,0.0,
+O=C(CSc1nccc2ccccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(CSc1nccc2ccccc12)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCCCC1,0,0.0,
+O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NC1CC1,0,0.0,
+O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1ccco1,0,0.0,
+O=C(CSc1ncccc1C(=O)O)NCCC1=CCCCC1,0,0.0,
+O=C(CSc1ncccc1C(=O)O)NCc1ccc(F)cc1,0,0.0,
+O=C(CSc1ncccc1C(=O)O)c1ccccc1,0,0.0,
+O=C(CSc1ncccn1)NC(=O)NCc1ccccc1,0,0.0,
+O=C(CSc1ncccn1)NCc1ccc(F)cc1,0,0.0,
+O=C(CSc1ncccn1)NCc1ccccc1,0,0.0,
+O=C(CSc1ncccn1)NCc1ccccc1Cl,0,0.0,
+O=C(CSc1ncccn1)Nc1ccccc1,1,100.0,
+O=C(CSc1ncccn1)Nn1cnnc1,0,0.0,
+O=C(CSc1ncccn1)c1ccccc1Br,0,0.0,
+O=C(CSc1nccn1-c1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nccn1-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nccn1-c1cccc(Cl)c1)NC1CCCC1,0,0.0,
+O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nccn1-c1ccccc1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nccn1-c1ccccc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nccn1-c1ccccc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nccn1Cc1ccccc1)Nc1nccs1,0,0.0,
+O=C(CSc1ncn(-c2ccccc2)n1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1ncn(-c2ccccc2)n1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1ncn(-c2ccccc2)n1)NCc1ccccc1,0,0.0,
+O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(Br)cn1,0,0.0,
+O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccn1,0,0.0,
+O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc2ccccc2s1,0,0.0,
+O=C(CSc1ncn(-c2ccccc2)n1)c1cccs1,0,0.0,
+O=C(CSc1ncn[nH]1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1,1,100.0,1.0
+O=C(CSc1ncn[nH]1)NC1CC2CCC1C2,0,0.0,
+O=C(CSc1ncn[nH]1)NCCOc1ccccc1,0,0.0,
+O=C(CSc1ncn[nH]1)Nc1ccc(Br)cc1F,0,0.0,
+O=C(CSc1ncn[nH]1)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+O=C(CSc1ncn[nH]1)Nc1cccc2ccccc12,0,0.0,
+O=C(CSc1ncn[nH]1)Nc1ccccc1C(=O)O,0,0.0,
+O=C(CSc1ncn[nH]1)Nc1nc(-c2ccccc2)ns1,0,0.0,
+O=C(CSc1ncn[nH]1)Nc1nnc(-c2ccccc2)s1,0,0.0,
+O=C(CSc1ncn[nH]1)OCN1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(CSc1ncn[nH]1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1ncn[nH]1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1ncn[nH]1)c1ccccc1,0,0.0,
+O=C(CSc1ncn[nH]1)c1ccco1,0,0.0,
+O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1,0,0.0,
+O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)NCC1CCCO1,0,0.0,
+O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)NCc1ccco1,0,0.0,
+O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)N1CCc2ccccc2C1,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)NC1CCCCC1,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)NCC1CCCO1,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)NCc1ccc(F)cc1,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)NCc1ccco1,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(Cl)c1,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(F)c1,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccccc1C(F)(F)F,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccccc1F,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)OCc1ccccc1,0,0.0,
+O=C(CSc1ncnc2c1oc1ccccc12)c1cccs1,0,0.0,
+O=C(CSc1ncnc2ccccc12)N1CCCC1,0,0.0,
+O=C(CSc1ncnc2ccccc12)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1ncnc2ccccc12)NCCCO,0,0.0,
+O=C(CSc1ncnc2ccccc12)NCc1ccco1,0,0.0,
+O=C(CSc1ncnc2ccccc12)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(CSc1ncnc2ccccc12)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1ncnc2nc[nH]c12)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(CSc1ncnc2nc[nH]c12)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1ncnc2nc[nH]c12)N1CCOCC1,0,0.0,
+O=C(CSc1ncnc2nc[nH]c12)NCCc1ccccc1,0,0.0,
+O=C(CSc1ncnc2nc[nH]c12)c1ccc(Cl)cc1,0,0.0,
+O=C(CSc1ncnc2sc3c(c12)CCCC3)N1CCC(c2noc3ccc(F)cc23)CC1,0,0.0,
+O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccco1,0,0.0,
+O=C(CSc1ncnc2sc3c(c12)CCCCC3)NCc1ccco1,0,0.0,
+O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nn1cnnc1,0,0.0,
+O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N(Cc1ccccc1)c1ccc(F)cc1,0,0.0,
+O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCCCC1,0,0.0,
+O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1c2ccccc2CCc2ccccc21,0,0.0,
+O=C(CSc1nnc(-c2cc3ccccc3cc2O)n1Cc1ccco1)c1ccc(F)cc1,0,0.0,
+O=C(CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1)N1CCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccc(Br)cc2)o1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1)c1ccccc1F,0,0.0,
+O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1cccs1,0,0.0,
+O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)o1)NCC1CCCO1,0,0.0,
+O=C(CSc1nnc(-c2ccc(O)cc2)n1Cc1ccco1)N1CCc2ccccc2C1,0,0.0,
+O=C(CSc1nnc(-c2ccc(O)cc2)n1Cc1ccco1)c1cccs1,0,0.0,
+O=C(CSc1nnc(-c2ccc(O)cc2)o1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CC1CCCO1)NC1CC1,0,0.0,
+O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccccc1F,0,0.0,
+O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)NCCC1=CCCCC1,0,0.0,
+O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccc[nH]1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)n1C1CCCCC1)N1CCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)N1CCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)NC1CC1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)o1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)o1)N1CCc2ccccc2C1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)o1)NC1CCCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1F,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)o1)Nn1cnnc1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)o1)OCc1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)o1)c1nnc(-c2ccccc2)o1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2)o1)n1c2c(c3ccccc31)CCCC2,0,0.0,
+O=C(CSc1nnc(-c2ccccc2Br)o1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2Br)o1)N1CCc2ccccc2C1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cccc2ccccc12,0,0.0,
+O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc(-c2ccccc2Cl)o1)N1CCCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)N1CCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2F)o1)OCc1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2O)o1)N1CCc2ccccc2C1,0,0.0,
+O=C(CSc1nnc(-c2ccccc2O)o1)Oc1ccc(OCc2ccccc2)cc1,0,0.0,
+O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)N1CCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)NC1CCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccc(Cl)cc1,0,0.0,
+O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccn1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1CCc1ccccc1)N1CCCCC1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)N1c2ccccc2Sc2ccccc21,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1nc(-c2ccc(F)cc2)cs1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Br)cc1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)cc1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc2ccccc2c1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)o1)OC1CCCCC1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)o1)Oc1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2cccnc2)o1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCCc1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)N1CCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)N1CCCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)NC1CCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)c1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC(=O)NCc1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)OC1CCCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(F)cc1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1,1,100.0,0.0
+O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)NCc1cccs1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)o1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)o1)N1c2ccccc2CCc2ccccc21,0,0.0,
+O=C(CSc1nnc(-c2ccco2)o1)NC(=O)C1COc2ccccc2O1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)o1)NC(=O)Cc1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)o1)NC1CC2CCC1C2,0,0.0,
+O=C(CSc1nnc(-c2ccco2)o1)NC1CCCCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)o1)NCC(=O)c1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)o1)c1ccc(F)c(F)c1,0,0.0,
+O=C(CSc1nnc(-c2ccco2)o1)c1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N1CCCC1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N1CCc2ccccc21,1,100.0,0.0
+O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc(-c2cccs2)n1CC1CCCO1)c1cc2ccccc2o1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc(-c2cccs2)o1)N1CCCCC1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)o1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nnc(-c2cccs2)o1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)o1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nnc(-c2cccs2)o1)NCC1CN(Cc2ccccc2)CCO1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)o1)OC1CCCCC1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)o1)OCc1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2cccs2)o1)c1cccs1,0,0.0,
+O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)NC(=O)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1cccc(O)c1,0,0.0,
+O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2ccncc2)n1CC1CCCO1)NCc1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccccc1Cl,0,0.0,
+O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)OC1CCCCC1,0,0.0,
+O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccc(Cl)cc1,0,0.0,
+O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccc1Cl,0,0.0,
+O=C(CSc1nnc(-c2ccncc2)o1)Oc1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2ccoc2)o1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccc(Br)cc1,0,0.0,
+O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccc(Cl)cc1,0,0.0,
+O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccc2ccccc2c1,0,0.0,
+O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccccc1,0,0.0,
+O=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1ccccc1,0,0.0,
+O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1ccc(N2CCOCC2)c(Cl)c1,0,0.0,
+O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1cc2ccccc2o1,0,0.0,
+O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(C2CCCCC2)n1Cc1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(C2CCCCC2)o1)N1CCCCC1,0,0.0,
+O=C(CSc1nnc(C2COc3ccccc3O2)o1)N1CCCCC1,0,0.0,
+O=C(CSc1nnc(C2COc3ccccc3O2)o1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nnc(C2COc3ccccc3O2)o1)NC1CCCCC1,0,0.0,
+O=C(CSc1nnc(C2COc3ccccc3O2)o1)Nc1nccs1,0,0.0,
+O=C(CSc1nnc(CCCO)n1-c1ccccc1)NCCc1ccccc1,0,0.0,
+O=C(CSc1nnc(CCCO)n1-c1ccccc1)Nc1nccs1,0,0.0,
+O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(CN2CCCCCC2=O)n1-c1ccccn1)NCC(F)(F)F,0,0.0,
+O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1cc(Cl)ccc1O,0,0.0,
+O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)Nc1ccccc1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)c1ccccc1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)NCC1CCCO1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)NCCc1ccccc1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)c1ccc(Cl)cc1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)c1ccccc1,1,100.0,0.0
+O=C(CSc1nnc(CNC(=O)c2ccco2)o1)NC1CCCC1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2ccco2)o1)c1ccc(Cl)cc1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2ccco2)o1)c1ccccc1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NC1CCCC1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NC1CCCCC1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NCCc1ccccc1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NCc1ccc(F)cc1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2cccs2)o1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2cccs2)o1)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2cccs2)o1)c1ccc(Cl)cc1,0,0.0,
+O=C(CSc1nnc(CNC(=O)c2cccs2)o1)c1ccccc1,0,0.0,
+O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(CNc2ccc(Cl)cc2)o1)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(CSc1nnc(CNc2ccc(Cl)cc2)o1)Nc1nc2ccccc2s1,0,0.0,
+O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccccc1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccco1)N1CCCC1,0,0.0,
+O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccco1)NC1CC1,0,0.0,
+O=C(CSc1nnc(CNc2ccc(F)cc2)o1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nnc(CNc2ccc(F)cc2)o1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nnc(CNc2ccccc2)o1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nnc(CNc2ccccc2)o1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nnc(CNc2ccccc2)o1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nnc(CNc2ccccc2)o1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1)c1ccccc1F,0,0.0,
+O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)OC1CCCCC1,0,0.0,
+O=C(CSc1nnc(COc2ccc(F)cc2)o1)N1c2ccccc2CCc2ccccc21,0,0.0,
+O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1ccc(F)cc1,0,0.0,
+O=C(CSc1nnc(COc2cccc3ccccc23)o1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nnc(COc2cccc3cccnc23)o1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nnc(COc2cccc3cccnc23)o1)c1ccc(F)cc1,0,0.0,
+O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)c1cccs1,0,0.0,
+O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc(COc2ccccc2)o1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nnc(COc2ccccc2)o1)NCCc1ccccc1,0,0.0,
+O=C(CSc1nnc(COc2ccccc2)o1)Nc1nccs1,0,0.0,
+O=C(CSc1nnc(COc2ccccc2Cl)o1)NC(=O)NC1CCCC1,0,0.0,
+O=C(CSc1nnc(CSc2nc3ccccc3s2)o1)NC1CCCCC1,0,0.0,
+O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)NC1CCCC1,0,0.0,
+O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)NCC1CCCO1,0,0.0,
+O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCCC1,0,0.0,
+O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)NC1CCCC1,0,0.0,
+O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCC1,0,0.0,
+O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCCC1,0,0.0,
+O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)N1CCOCC1,1,100.0,
+O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccco1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccco1)NC1CCCC1,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)o1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)o1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)o1)NC1CC2CCC1C2,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)o1)NC1CCCCC1,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)o1)NCCN1C(=O)CSC1=O,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)o1)NCCc1ccccc1,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)o1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Br)cn1,0,0.0,
+O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)NC1CCCCC1,0,0.0,
+O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)N1CCCc2ccccc21,1,100.0,
+O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)Nc1cc(Cl)cc(Cl)c1,0,0.0,
+O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)Nc1ccc(Br)cc1,0,0.0,
+O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)Nc1ccc(Cl)cc1Cl,0,0.0,
+O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)Nc1cccc(Cl)c1,0,0.0,
+O=C(CSc1nnc(Cc2csc(Nc3cccc(Cl)c3)n2)o1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)N1CCCC1,0,0.0,
+O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)N1CCCCCC1,0,0.0,
+O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)Nc1nccs1,0,0.0,
+O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1)N1CCCC1,0,0.0,
+O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc(Cn2cnc3ccccc32)o1)c1ccccc1,0,0.0,
+O=C(CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1)Nc1ccc(F)cc1,0,0.0,
+O=C(CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1)Nc1ccccc1,0,0.0,
+O=C(CSc1nnc(Cn2nnc3ccccc32)o1)N(Cc1ccc(F)cc1)c1ccccc1,0,0.0,
+O=C(CSc1nnc(NC(=O)C2CCC2)s1)NC1CC1,0,0.0,
+O=C(CSc1nnc(NC(=O)C2CCC2)s1)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(CSc1nnc(NC(=O)CN2CCOCC2)s1)Nc1ccccc1,0,0.0,
+O=C(CSc1nnc(NC(=O)c2ccco2)s1)NC1CCCC1,0,0.0,
+O=C(CSc1nnc(NC(=O)c2ccco2)s1)NC1CCCCC1,0,0.0,
+O=C(CSc1nnc(NC2CCCCC2)s1)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(CSc1nnc(NCc2ccccc2)s1)c1ccco1,0,0.0,
+O=C(CSc1nnc(Nc2ccccc2)s1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(Nc2ccccc2F)s1)NCc1ccco1,0,0.0,
+O=C(CSc1nnc(SCC(=O)c2ccco2)s1)c1ccco1,0,0.0,
+O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N1CCOCC1,0,0.0,
+O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc2c(Cl)cc(Cl)cn12)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)OCc1ccccc1,0,0.0,
+O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)NCc1ccco1,0,0.0,
+O=C(CSc1nnc2c3cc(F)ccc3nc(-c3ccccc3)n12)N1CCOCC1,0,0.0,
+O=C(CSc1nnc2ccccn12)N1CCOCC1,0,0.0,
+O=C(CSc1nnc2ccccn12)N1CCc2ccccc2C1,0,0.0,
+O=C(CSc1nnc2ccccn12)NC(=O)NC1CCCC1,0,0.0,
+O=C(CSc1nnc2ccccn12)NC(=O)NC1CCCCC1,0,0.0,
+O=C(CSc1nnc2ccccn12)NCCN1C(=O)CSC1=O,0,0.0,
+O=C(CSc1nnc2ccccn12)NCc1cccs1,0,0.0,
+O=C(CSc1nnc2ccccn12)Nc1ccccc1C(=O)NC1CC1,0,0.0,
+O=C(CSc1nnc2ccccn12)c1ccc(OC(F)F)cc1OC(F)F,0,0.0,
+O=C(CSc1nnc2ccccn12)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc2ccccn12)c1ccccc1,0,0.0,
+O=C(CSc1nnc2n(C3CCCC3)c(=O)c3ccccc3n12)N1CCCCCC1,0,0.0,
+O=C(CSc1nnc2n(C3CCCCC3)c(=O)c3ccccc3n12)OC1CCCCC1,0,0.0,
+O=C(CSc1nnc2ncccn12)N1CCCCCC1,0,0.0,
+O=C(CSc1nnc2sc3ccccc3n12)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nnc2sc3ccccc3n12)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc2sc3ccccc3n12)c1ccco1,0,0.0,
+O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)NCc1ccco1,0,0.0,
+O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)NCc1ccco1,0,0.0,
+O=C(CSc1nnc2scc(-c3ccccc3)n12)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nnc2scc(-c3ccccc3)n12)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(CSc1nnc2scc(-c3ccccc3)n12)NCC1CCCO1,0,0.0,
+O=C(CSc1nnc2scc(-c3ccccc3)n12)NCc1ccco1,0,0.0,
+O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(-c2ccc(Cl)cc2)n1,0,0.0,
+O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(-c2ccccc2)n1,0,0.0,
+O=C(CSc1nnc2scc(-c3ccccc3)n12)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nncc2ccccc12)N1CCOCC1,0,0.0,
+O=C(CSc1nncs1)N1c2ccccc2Sc2ccccc21,0,0.0,
+O=C(CSc1nncs1)NC(=O)NCc1ccccc1,0,0.0,
+O=C(CSc1nncs1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnnn1-c1ccc(Cl)cc1)N1CCc2ccccc2C1,0,0.0,
+O=C(CSc1nnnn1-c1ccc(Cl)cc1)NC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnnn1-c1ccc(F)cc1)NC1CCCCC1,0,0.0,
+O=C(CSc1nnnn1-c1ccc2c(c1)CCC2)NCc1cccs1,0,0.0,
+O=C(CSc1nnnn1-c1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)c1cccc2c1OCCO2,0,0.0,
+O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)NCc1ccccc1,0,0.0,
+O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)NCc1cccs1,0,0.0,
+O=C(CSc1nnnn1-c1cccc2c1CCCC2)N1CCOCC1,1,100.0,
+O=C(CSc1nnnn1-c1cccc2ccccc12)N1CCOCC1,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)CC(=O)Nc1ccc(Cl)cc1,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)CSc1nnnn1-c1ccccc1,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)N1CCc2ccccc2C1,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cn1,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)Nc1nc(-c2ccccc2)ns1,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)Nc1ncc2c(n1)CC(c1ccco1)CC2=O,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)Nc1nsc(-c2ccc(Cl)cc2)n1,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)Nc1nsc(-c2ccccc2)n1,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(CSc1nnnn1-c1ccccc1Cl)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnnn1-c1cccnc1)NCc1cccs1,0,0.0,
+O=C(CSc1nnnn1C1CC2CCC1C2)Nc1ccnc2ccccc12,1,100.0,
+O=C(CSc1nnnn1C1CCCC1)N1CCCc2ccccc21,0,0.0,
+O=C(CSc1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(CSc1nnnn1C1CCCC1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnnn1C1CCCC1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnnn1C1CCCC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnnn1C1CCCC1)Nc1cccc(NC(=O)c2ccco2)c1,0,0.0,
+O=C(CSc1nnnn1C1CCCC1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnnn1C1CCCCC1)N1CCCC1,0,0.0,
+O=C(CSc1nnnn1C1CCCCC1)N1CCc2ccccc21,0,0.0,
+O=C(CSc1nnnn1C1CCCCC1)NCCc1ccccc1,0,0.0,
+O=C(CSc1nnnn1C1CCCCC1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnnn1C1CCCCC1)NCc1cccc(C(=O)O)c1,0,0.0,
+O=C(CSc1nnnn1C1CCCCC1)NCc1ccco1,0,0.0,
+O=C(CSc1nnnn1C1CCCCC1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnnn1C1CCCCC1)Nc1cccc(NC(=O)c2ccco2)c1,0,0.0,
+O=C(CSc1nnnn1C1CCCCC1)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(CSc1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(CSc1nnnn1Cc1ccccc1)NCC(=O)c1ccccc1,0,0.0,
+O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(CSc1nnnn1Cc1ccccc1)c1ccccc1,0,0.0,
+O=C(CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1)NCC1CCCO1,0,0.0,
+O=C(CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1)NCC1CCCO1,0,0.0,
+O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1,0,0.0,
+O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)NCC1CCCO1,0,0.0,
+O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)NCC1CCCO1,0,0.0,
+O=C(CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1)NCC1CCCO1,0,0.0,
+O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NCCN1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NCCN1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(Cc1c(C(=O)O)[nH]c2ccccc12)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cc1c(F)c(F)c(F)c(F)c1F)OC12CC3CC(C1)C(=O)C(C3)C2,0,0.0,
+O=C(Cc1c(F)cccc1Cl)N1CCCC1,0,0.0,
+O=C(Cc1c(F)cccc1Cl)NCC1CCCO1,0,0.0,
+O=C(Cc1c(F)cccc1Cl)NCCCN1CCCC1=O,0,0.0,
+O=C(Cc1c(F)cccc1Cl)Nc1cccnc1,0,0.0,
+O=C(Cc1c(F)cccc1Cl)Nc1ccncc1,0,0.0,
+O=C(Cc1c(F)cccc1Cl)Nc1ccon1,0,0.0,
+O=C(Cc1c(F)cccc1Cl)c1ccc(O)cc1O,0,0.0,
+O=C(Cc1c(O)c2ccccc2[nH]c1=O)NC1CCCCCC1,0,0.0,
+O=C(Cc1c(O)c2ccccc2[nH]c1=O)NC1CCCCCCC1,0,0.0,
+O=C(Cc1c(O)c2ccccc2[nH]c1=O)NCc1ccc(F)cc1,0,0.0,
+O=C(Cc1c(O)c2ccccc2[nH]c1=O)NCc1cccc(F)c1,0,0.0,
+O=C(Cc1c(O)c2ccccc2[nH]c1=O)NCc1ccccc1F,0,0.0,
+O=C(Cc1c(O)c2ccccc2[nH]c1=O)OC1CCCCC1,0,0.0,
+O=C(Cc1c[nH]c2ccccc12)N1CCc2ccccc21,0,0.0,
+O=C(Cc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1,0,0.0,
+O=C(Cc1c[nH]c2ccccc12)Nc1nccs1,0,0.0,
+O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCC(Cc2ccccc2)CC1,0,0.0,
+O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC1CCCO1,0,0.0,
+O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCCN1CCOCC1,0,0.0,
+O=C(Cc1cc(=O)oc2cc(O)ccc12)NCC1CCC(C(=O)O)CC1,0,0.0,
+O=C(Cc1ccc(-c2ccccc2)cc1)N1CCOCC1,0,0.0,
+O=C(Cc1ccc(-c2ccccc2)cc1)NCCN1CCOCC1,0,0.0,
+O=C(Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cc1ccc(-n2cccc2)cc1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(Cc1ccc(-n2cccc2)cc1)N1CCc2ccccc21,0,0.0,
+O=C(Cc1ccc(-n2cccc2)cc1)NC1CCCCC1,0,0.0,
+O=C(Cc1ccc(-n2cccc2)cc1)NCc1cccs1,0,0.0,
+O=C(Cc1ccc(-n2cnnn2)cc1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(Cc1ccc(Br)cc1)N1CCCCCC1,0,0.0,
+O=C(Cc1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Cc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cc1ccc(Br)cc1)c1ccc(O)cc1O,0,0.0,
+O=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc[nH]1,0,0.0,
+O=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCCC1,0,0.0,
+O=C(Cc1ccc(Cl)cc1)NCCN1CCCC1,0,0.0,
+O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1,0,0.0,
+O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1,0,0.0,
+O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1,0,0.0,
+O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1,0,0.0,
+O=C(Cc1ccc(Cl)cc1)Nc1ccccc1CO,1,100.0,0.0
+O=C(Cc1ccc(F)cc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(Cc1ccc(F)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(F)cc1)C[S+]([O-])C2,0,0.0,
+O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1cccc(Cl)c1)C[S+]([O-])C2,0,0.0,
+O=C(Cc1ccc(F)cc1)OCC(=O)c1cc2ccccc2o1,0,0.0,
+O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCOCC1,0,0.0,
+O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCC1CCCCC1,0,0.0,
+O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(Cc1ccc2c(c1)OCCO2)c1c(O)cc(O)cc1O,0,0.0,
+O=C(Cc1ccc2cccnc2c1)c1ccc(O)cc1O,0,0.0,
+O=C(Cc1ccccc1)CC1(O)C(=O)Nc2ccccc21,0,0.0,
+O=C(Cc1ccccc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(Cc1ccccc1)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,0,0.0,
+O=C(Cc1ccccc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1,0,0.0,
+O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,0,0.0,
+O=C(Cc1ccccc1)N1CCCC(c2nc(-c3cccs3)no2)C1,0,0.0,
+O=C(Cc1ccccc1)N1CCCC1c1ccccc1,0,0.0,
+O=C(Cc1ccccc1)N1CCN(C(=O)c2cccs2)CC1,0,0.0,
+O=C(Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(Cc1ccccc1)N1CCN(C2CCCC2)CC1,0,0.0,
+O=C(Cc1ccccc1)N1CCN(CC2CC=CCC2)CC1,0,0.0,
+O=C(Cc1ccccc1)N1CCN(Cc2c[nH]c3ccccc23)CC1,0,0.0,
+O=C(Cc1ccccc1)N1CCN(Cc2ccccn2)CC1,0,0.0,
+O=C(Cc1ccccc1)NC(NCCCN1CCOCC1)(C(F)(F)F)C(F)(F)F,0,0.0,
+O=C(Cc1ccccc1)NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1,0,0.0,
+O=C(Cc1ccccc1)NCCCN1CCN(CCCNC(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(Cc1ccccc1)NCCSCc1ccco1,0,0.0,
+O=C(Cc1ccccc1)NCCc1cn2ccsc2n1,0,0.0,
+O=C(Cc1ccccc1)NCCn1ccc2ccccc21,0,0.0,
+O=C(Cc1ccccc1)NCc1nc2ccccc2[nH]1,0,0.0,
+O=C(Cc1ccccc1)N[C@H](c1ccccc1)P(=O)(O)CO,0,0.0,
+O=C(Cc1ccccc1)Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1,0,0.0,
+O=C(Cc1ccccc1)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2,0,0.0,
+O=C(Cc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+O=C(Cc1ccccc1)Nc1ccc(C(=O)O)cc1,0,0.0,
+O=C(Cc1ccccc1)Nc1ccc(CN2CCOCC2)cc1,0,0.0,
+O=C(Cc1ccccc1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1,0,0.0,
+O=C(Cc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1,0,0.0,
+O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccco2)nc1,0,0.0,
+O=C(Cc1ccccc1)Nc1ccc2oc(-c3cccnc3)nc2c1,0,0.0,
+O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1,0,0.0,
+O=C(Cc1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1,0,0.0,
+O=C(Cc1ccccc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1,0,0.0,
+O=C(Cc1ccccc1)Nc1cccc(N2CCCC2)c1,0,0.0,
+O=C(Cc1ccccc1)Nc1ccccc1CO,0,0.0,
+O=C(Cc1ccccc1)Nc1ccccc1N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cc1ccccc1)Nc1nc(-c2cccs2)cs1,0,0.0,
+O=C(Cc1ccccc1)Nc1nc2ccccc2[nH]1,0,0.0,
+O=C(Cc1ccccc1)Nc1nnc(-c2ccco2)s1,0,0.0,
+O=C(Cc1ccccc1)Nc1nnc(-c2cccs2)s1,0,0.0,
+O=C(Cc1ccccc1)Nc1nonc1NC(=O)c1ccccc1,0,0.0,
+O=C(Cc1ccccc1)Nn1cnc2ccccc21,0,0.0,
+O=C(Cc1ccccc1)OC(COCc1ccccc1)CN1CCOCC1,0,0.0,
+O=C(Cc1ccccc1)OCCN1CCCCC1,1,100.0,1.0
+O=C(Cc1ccccc1)OCn1nnc2ccccc2c1=O,0,0.0,
+O=C(Cc1ccccc1)Oc1cccc(N2C(=O)CCC2=O)c1,0,0.0,
+O=C(Cc1ccccc1)Oc1ccccc1N1C(=O)CCC1=O,0,0.0,
+O=C(Cc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1,0,0.0,
+O=C(Cc1ccccc1F)Nc1nc(-c2cccs2)cs1,0,0.0,
+O=C(Cc1ccccn1)Nc1ccccc1,0,0.0,
+O=C(Cc1cccs1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1,0,0.0,
+O=C(Cc1cccs1)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(Cc1cccs1)N(c1ccccc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(Cc1cccs1)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)CC1,0,0.0,
+O=C(Cc1cccs1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)CC1,0,0.0,
+O=C(Cc1cccs1)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)CC1,0,0.0,
+O=C(Cc1cccs1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Cc1cccs1)N1CCCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1,1,100.0,1.0
+O=C(Cc1cccs1)N1CCCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)C1,0,0.0,
+O=C(Cc1cccs1)N1CCCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)C1,0,0.0,
+O=C(Cc1cccs1)N1CCCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)C1,0,0.0,
+O=C(Cc1cccs1)N1CCN(C(=O)C2CCCO2)CC1,0,0.0,
+O=C(Cc1cccs1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(Cc1cccs1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1,0,0.0,
+O=C(Cc1cccs1)NCC1CCCO1,0,0.0,
+O=C(Cc1cccs1)NCCn1ccc2ccccc21,0,0.0,
+O=C(Cc1cccs1)NCc1ccc(F)cc1,0,0.0,
+O=C(Cc1cccs1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cc1cccs1)NCc1ccccc1,0,0.0,
+O=C(Cc1cccs1)NCc1ccccc1F,0,0.0,
+O=C(Cc1cccs1)NCc1cccs1,0,0.0,
+O=C(Cc1cccs1)NCc1ccncc1,0,0.0,
+O=C(Cc1cccs1)NCc1cn2ccccc2n1,0,0.0,
+O=C(Cc1cccs1)Nc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1,0,0.0,
+O=C(Cc1cccs1)Nc1ccc(C(=O)O)cc1,0,0.0,
+O=C(Cc1cccs1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(Cc1cccs1)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(Cc1cccs1)Nc1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0,0.0,
+O=C(Cc1cccs1)Nc1ccc2c(c1)C(=O)OC2,0,0.0,
+O=C(Cc1cccs1)Nc1cccc(C(=O)Nc2ccco2)c1,0,0.0,
+O=C(Cc1cccs1)Nc1ccccc1C(=O)O,0,0.0,
+O=C(Cc1cccs1)Nc1ccccc1NC(=O)Cc1cccs1,0,0.0,
+O=C(Cc1cccs1)Nc1ccccn1,0,0.0,
+O=C(Cc1cccs1)Nc1cccnc1,0,0.0,
+O=C(Cc1cccs1)Nc1nc(-c2ccccc2)cs1,0,0.0,
+O=C(Cc1cccs1)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(Cc1cccs1)Nc1nc2ccccc2s1,0,0.0,
+O=C(Cc1cccs1)Nc1nnc(-c2ccncc2)s1,0,0.0,
+O=C(Cc1cccs1)Nc1nnc(CCc2ccccc2)s1,0,0.0,
+O=C(Cc1cccs1)Nc1nnc(SCC(=O)N2CCCCC2)s1,0,0.0,
+O=C(Cc1cccs1)Nc1nnc(SCC(=O)NC2CCCCC2)s1,0,0.0,
+O=C(Cc1cccs1)Nc1nncs1,0,0.0,
+O=C(Cc1cccs1)Nn1c(Cc2cccs2)nc2ccccc2c1=O,0,0.0,
+O=C(Cc1cccs1)OCC(=O)c1ccco1,0,0.0,
+O=C(Cc1ccsc1)NCC(c1ccco1)N1CCCCC1,0,0.0,
+O=C(Cc1ccsc1-c1ccccc1)NO,0,0.0,
+O=C(Cc1cn2ccsc2n1)NCCc1ccc(F)cc1,0,0.0,
+O=C(Cc1cn2ccsc2n1)NCc1ccccc1,0,0.0,
+O=C(Cc1cn2ccsc2n1)Nc1cccc2cnccc12,0,0.0,
+O=C(Cc1cn2ccsc2n1)Nc1ccccc1Oc1ccccc1,0,0.0,
+O=C(Cc1cn2ccsc2n1)Nc1ccccn1,0,0.0,
+O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2,0,0.0,
+O=C(Cc1cn2ccsc2n1)OCc1ccccc1,0,0.0,
+O=C(Cc1cn2ccsc2n1)OCc1nc2ccccc2s1,0,0.0,
+O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCOCC1,0,0.0,
+O=C(Cc1coc(-c2ccc(F)cc2)n1)NC1CCCCC1,0,0.0,
+O=C(Cc1coc(-c2ccc(F)cc2)n1)NCc1ccccc1,0,0.0,
+O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1ccccc1,0,0.0,
+O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cc(=O)n2c(n1)sc1ccccc12,0,0.0,
+O=C(Cc1coc2ccc3ccccc3c12)N1CCCC1,0,0.0,
+O=C(Cc1coc2ccc3ccccc3c12)N1CCN(c2ncccn2)CC1,1,100.0,0.0
+O=C(Cc1cscn1)c1ccc(O)cc1O,0,0.0,
+O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccccn1,0,0.0,
+O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1,0,0.0,
+O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(Cc1nc(-c2ccc(Br)s2)cs1)NCCN1CCOCC1,0,0.0,
+O=C(Cc1nc2ccccc2[nH]1)NCc1ccco1,0,0.0,
+O=C(Cc1nc2ccccc2s1)c1ccc(O)cc1O,0,0.0,
+O=C(Cc1ncn[nH]1)NCCc1ccccc1,0,0.0,
+O=C(Cc1nn[nH]n1)NCCC1=CCCCC1,0,0.0,
+O=C(Cc1nn[nH]n1)NCc1ccccc1Cl,0,0.0,
+O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1cccnc1,0,0.0,
+O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,0,0.0,
+O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N1CCc2ccccc2C1,0,0.0,
+O=C(Cn1c(-c2ccc(Cl)cc2)noc1=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(Cn1c(-c2ccccc2)noc1=O)NCc1ccccc1,0,0.0,
+O=C(Cn1c(-c2ccccc2)noc1=O)Nc1ccc(N2CCCCCC2)cc1,0,0.0,
+O=C(Cn1c(-c2ccccc2)noc1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(Cn1c(-c2ccccn2)nc2ccccc21)NCCN1CCOCC1,0,0.0,
+O=C(Cn1c(-c2ccco2)nc2ccccc21)N1CCCCC1,0,0.0,
+O=C(Cn1c(-c2cncs2)nc2ccccc21)NC1CCCC1,0,0.0,
+O=C(Cn1c(-c2cncs2)nc2ccccc21)NCCc1ccccc1,0,0.0,
+O=C(Cn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC1CCCCC1,0,0.0,
+O=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC1CCCCCC1,0,0.0,
+O=C(Cn1c(=O)[nH]n(-c2ccccc2)c1=O)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)N1CCc2ccccc21,0,0.0,
+O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)N1CCCC1,0,0.0,
+O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)NC1CC1,0,0.0,
+O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21)N1CCCC1,0,0.0,
+O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)n1CC(=O)N1CCCCC1)N1CCCCC1,0,0.0,
+O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N1CCCC1,0,0.0,
+O=C(Cn1c(=O)n(-c2ccccc2)c(=O)n1CC(=O)N1CCCCC1)N1CCCCC1,0,0.0,
+O=C(Cn1c(=O)n(CC2CCCO2)c(=O)c2ccccc21)c1ccccc1,0,0.0,
+O=C(Cn1c(=O)n(CCCC(=O)NC2CCCC2)c(=O)c2ccccc21)NCCC1=CCCCC1,0,0.0,
+O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ccccc21)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCC3)Nc1ccccc1,0,0.0,
+O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1cccc(Cl)c1,0,0.0,
+O=C(Cn1c(=O)n2ncnc2c2c3c(sc21)CCCC3)c1ccccc1,0,0.0,
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCc2ccccc21,0,0.0,
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccn1,0,0.0,
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(C(F)(F)F)cc1,0,0.0,
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CCCCC1,0,0.0,
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CCCCCCC1,0,0.0,
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21)N1CCc2ccccc2C1,0,0.0,
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21)N1CCCCC1,0,0.0,
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21)NC1CCCC1,1,100.0,1.0
+O=C(Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)ccc21)NCc1ccco1,0,0.0,
+O=C(Cn1c(=O)oc2ccccc21)N(Cc1ccccc1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(Cn1c(=O)oc2ccccc21)N1CCCCC1,0,0.0,
+O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0.0,
+O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cn1c(=O)oc2ccccc21)NC(=O)NCc1ccco1,0,0.0,
+O=C(Cn1c(=O)oc2ccccc21)NCc1ccco1,0,0.0,
+O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(Cn1c(=O)oc2ccccc21)c1ccccc1,0,0.0,
+O=C(Cn1c(=O)sc2ccccc21)N1CCOCC1,0,0.0,
+O=C(Cn1c(=O)sc2ccccc21)NCCOc1ccccc1F,0,0.0,
+O=C(Cn1c(=O)sc2ccccc21)NCc1ccccn1,0,0.0,
+O=C(Cn1c(=O)sc2ccccc21)NCc1ccco1,0,0.0,
+O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(Cn1c(=O)sc2ccccc21)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1C(=O)O,0,0.0,
+O=C(Cn1c(=O)sc2ccccc21)Nc1nc2c(s1)CCCC2,0,0.0,
+O=C(Cn1c(=S)nc2ccccn21)N1CCc2ccccc2C1,0,0.0,
+O=C(Cn1c(C(=O)N2CCN(C3CCCC3)CC2)cc2sccc21)c1ccccc1,0,0.0,
+O=C(Cn1c(C(=O)N2CCN(C3CCCCC3)CC2)cc2sccc21)c1ccccc1,0,0.0,
+O=C(Cn1c(C(=O)N2CCc3ccccc3C2)cc2sccc21)c1ccccc1,0,0.0,
+O=C(Cn1c(C(=O)NCC2CCCO2)cc2sccc21)c1ccccc1,0,0.0,
+O=C(Cn1c(C(=O)NCCCN2CCOCC2)cc2sccc21)c1ccccc1,0,0.0,
+O=C(Cn1c(C(=O)NCc2ccco2)cc2sccc21)c1ccccc1,0,0.0,
+O=C(Cn1c(C2CC2)nc2ccccc2c1=O)Nc1ccc(Br)cc1,0,0.0,
+O=C(Cn1c(CC(=O)N2CCCC2)nc2ccccc21)NCc1ccccc1,0,0.0,
+O=C(Cn1c(CC(=O)N2CCOCC2)nc2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2,0,0.0,
+O=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NC1CCCCC1,0,0.0,
+O=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NCc1ccco1,0,0.0,
+O=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)Nc1ccccc1,0,0.0,
+O=C(Cn1c(CO)nc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+O=C(Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc21)c1ccccc1,0,0.0,
+O=C(Cn1c(NCCCO)nc2ccccc21)c1ccc(Br)cc1,0,0.0,
+O=C(Cn1c(NCCCO)nc2ccccc21)c1cccc(Br)c1,0,0.0,
+O=C(Cn1c(NCCCO)nc2ccccc21)c1ccco1,0,0.0,
+O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1,0,0.0,
+O=C(Cn1c(NCCO)nc2ccccc21)NCCc1ccccc1,0,0.0,
+O=C(Cn1c(NCCO)nc2ccccc21)c1ccc(Cl)cc1,0,0.0,
+O=C(Cn1c(NCCO)nc2ccccc21)c1ccccc1,0,0.0,
+O=C(Cn1c(NCCO)nc2ccccc21)c1ccco1,0,0.0,
+O=C(Cn1c(NCCO)nc2ccccc21)c1cccs1,0,0.0,
+O=C(Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21)N1CCCCC1,0,0.0,
+O=C(Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc21)N1CCCC1,0,0.0,
+O=C(Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cn1c2c(c(-c3ccccc3)cc1=O)CCCC2)N1CCCCCC1,0,0.0,
+O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Cn1cc(/C=N/O)c2ccccc21)N1CCOCC1,1,100.0,0.0
+O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCC1CCCO1,0,0.0,
+O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)NCc1ccco1,0,0.0,
+O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NCc1ccco1,0,0.0,
+O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NC1CCCC1,0,0.0,
+O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCC1CCCO1,0,0.0,
+O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1cccs1,0,0.0,
+O=C(Cn1cc(C(=S)N2CCOCC2)c2ccccc21)N1CCOCC1,0,0.0,
+O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)N1CCCC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)N1CCOCC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)N1CCc2ccccc21,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)NC1CCCCCC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)NCC1CCCO1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCCC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)NCCc1ccccc1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)NCc1cccc(Cl)c1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)NCc1ccccn1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)NCc1cccnc1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)NCc1cccs1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)Nc1cc(-c2cccc(Cl)c2)no1,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)Nc1cc(F)ccc1F,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)Nc1ccccc1Br,0,0.0,
+O=C(Cn1cc2c(n1)CCCC2)Nc1ccccc1Cl,0,0.0,
+O=C(Cn1cc2c(n1)CCCCC2)N1CCCCC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCCC2)N1CCc2ccccc21,0,0.0,
+O=C(Cn1cc2c(n1)CCCCC2)N1CCc2ccccc2C1,0,0.0,
+O=C(Cn1cc2c(n1)CCCCC2)NC1CCCCCC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCCC2)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCCC2)NCCCN1CCOCC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCCC2)NCCN1CCOCC1,0,0.0,
+O=C(Cn1cc2c(n1)CCCCC2)NCc1ccccc1,0,0.0,
+O=C(Cn1cc2c(n1)CCCCC2)NCc1ccccn1,0,0.0,
+O=C(Cn1cc2c(n1)CCCCC2)NCc1cccs1,0,0.0,
+O=C(Cn1cc2c(n1)CCCCC2)Nc1ccc(F)cc1F,0,0.0,
+O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0.0,
+O=C(Cn1ccc2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,1,100.0,0.0
+O=C(Cn1ccc2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Cn1ccc2ccccc2c1=O)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cn1cccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(Cn1cccc1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(Cn1cccc1)N1CCc2ccccc21,0,0.0,
+O=C(Cn1cccc1)NC1CCCCCC1,0,0.0,
+O=C(Cn1cccc1)NC1CCCc2ccccc21,0,0.0,
+O=C(Cn1cccc1)NCc1cccs1,0,0.0,
+O=C(Cn1cccc1)Nc1ccc(F)cc1F,0,0.0,
+O=C(Cn1cccc1)Nc1ccc(OC(F)(F)F)cc1,0,0.0,
+O=C(Cn1cccc1C(=O)c1ccccc1)NCCCN1CCOCC1,0,0.0,
+O=C(Cn1cccc1C(=O)c1ccccc1)NCCN1CCCCCC1,0,0.0,
+O=C(Cn1cccc1C(=O)c1ccccc1)NCCN1CCOCC1,0,0.0,
+O=C(Cn1cccc1C(=O)c1ccccc1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cn1cccc1C(=O)c1ccccc1)NCc1ccccn1,0,0.0,
+O=C(Cn1cccc1C(=O)c1ccccc1)NCc1cccnc1,0,0.0,
+O=C(Cn1cccc1C(=O)c1ccccc1)NCc1ccco1,0,0.0,
+O=C(Cn1cccc1C(=O)c1ccccc1)NCc1cccs1,0,0.0,
+O=C(Cn1ccccc1=O)c1cccs1,0,0.0,
+O=C(Cn1ccsc1=NC(=O)c1ccco1)c1ccccc1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NC1CCCCC1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NCC1CCCO1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NCCc1ccccc1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCC1CCCO1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCCc1ccccc1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)OCc1ccccc1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCOCC1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NC1CCCC1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCCc1ccccc1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCc1ccccc1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)OCc1ccccc1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Cl)cc1,0,0.0,
+O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCc2ccccc21,0,0.0,
+O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N1CCCC1,0,0.0,
+O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)NCC1CCCO1,0,0.0,
+O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)NCc1ccco1,0,0.0,
+O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)N1CCCC1,0,0.0,
+O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)N1CCOCC1,0,0.0,
+O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCC(Cc2ccccc2)CC1,0,0.0,
+O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCOCC1,0,0.0,
+O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCC1CCCO1,0,0.0,
+O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCCc1ccccc1,0,0.0,
+O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCc1ccco1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NC1CCCC1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NCC1CCCO1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NCc1ccco1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)OCc1ccccc1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)N1CCCCC1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)NC1CCCC1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)NCC1CCCO1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)NCc1ccco1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)OCc1ccccc1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)NCC1CCCO1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)NCc1ccco1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)c1ccc(Cl)cc1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)c1ccccc1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)NCC1CCCO1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)NCc1ccco1,0,0.0,
+O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)OCc1ccccc1,0,0.0,
+O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCC1CCCO1,0,0.0,
+O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCCc1ccccc1,0,0.0,
+O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCc1ccco1,0,0.0,
+O=C(Cn1cnc2c(oc3ccccc32)c1=O)c1ccccc1,0,0.0,
+O=C(Cn1cnc2ccccc21)NCCCN1CCOCC1,0,0.0,
+O=C(Cn1cnc2ccccc21)NCc1ccccc1,0,0.0,
+O=C(Cn1cnc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+O=C(Cn1cnc2ccccc21)OCC(=O)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1cnc2ccccc21)OCC(=O)N1CCc2ccccc2C1,1,100.0,0.0
+O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccco1)c1ccc(O)cc1,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)NC1CCCc2ccccc21,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)NCC(=O)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)NCC(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)NCCC(=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)NCCC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)NCCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)NCc1ccco1,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)OCC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)OCCCCN1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)c1c[nH]c2ccccc12,0,0.0,
+O=C(Cn1cnc2ccccc2c1=O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCOCC1,0,0.0,
+O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1ccco1,0,0.0,
+O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCCC(=O)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N1CCOCC1,0,0.0,
+O=C(Cn1cnnn1)Nc1ccccc1Cc1ccccc1,0,0.0,
+O=C(Cn1cnnn1)OCC(=O)c1ccc(Cl)s1,0,0.0,
+O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCC1CCCO1,1,100.0,0.0
+O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCCN1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCN1CCOCC1,0,0.0,
+O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)Nc1cccnc1,0,0.0,
+O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCC1CCCO1,0,0.0,
+O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCCN1CCOCC1,0,0.0,
+O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc2c(c1)nc1n2CCOC1,0,0.0,
+O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccccn1,0,0.0,
+O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCOCC1,0,0.0,
+O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCN1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,0,0.0,
+O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1,0,0.0,
+O=C(Cn1nc(-c2ccccc2F)ccc1=O)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cn1nc(C(=O)O)c2ccccc2c1=O)NCC1CCCO1,0,0.0,
+O=C(Cn1nc(C(=O)O)c2ccccc2c1=O)NCCC1=CCCCC1,0,0.0,
+O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NC1CCCCC1,0,0.0,
+O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccc(F)cc1,0,0.0,
+O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NC1CCCC1,0,0.0,
+O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCCN1CCOCC1,0,0.0,
+O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1ccco1,0,0.0,
+O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cn1nc(C(F)(F)F)c2c1CCCCC2)N1CCOCC1,0,0.0,
+O=C(Cn1nc(C(F)F)cc1C1CC1)NCCC1=CCCCC1,0,0.0,
+O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NCC1CCCO1,0,0.0,
+O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NCC1COc2ccccc2O1,0,0.0,
+O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NCCCN1CCCC1=O,0,0.0,
+O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)N1CCc2ccccc2C1,0,0.0,
+O=C(Cn1nc(Cl)nc1Cl)N1CCCCC1,0,0.0,
+O=C(Cn1nc(Cl)nc1Cl)N1CCOCC1,0,0.0,
+O=C(Cn1nc(Cl)nc1Cl)Nc1ccccc1,0,0.0,
+O=C(Cn1nc(Cl)nc1Cl)c1cc2ccccc2oc1=O,0,0.0,
+O=C(Cn1nc(Cl)nc1Cl)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)N(Cc1ccco1)C1CCCCC1,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCC(N2CCCCC2)CC1,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCCN(Cc2ccccc2F)C1,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCc2ccccc2C1,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)NC1CC1,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCC1CCCO1,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCC1COc2ccccc2O1,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCC1=CCCCC1,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCCN1CCCC1=O,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCN1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1nc2ccccc2s1,0,0.0,
+O=C(Cn1ncc2c1-c1ccccc1OC2)N(Cc1ccco1)C1CCCCC1,0,0.0,
+O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCc2ccccc21,0,0.0,
+O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1ccc(Cl)cn1,0,0.0,
+O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1nc2ccccc2s1,0,0.0,
+O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Cn1ncc2ccccc21)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Cn1ncc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C(Cn1ncc2ccccc21)N1CCc2ccccc21,1,100.0,0.0
+O=C(Cn1ncc2ccsc2c1=O)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Cn1ncn2c(cc3ccccc32)c1=O)NCCC1=CCCCC1,0,0.0,
+O=C(Cn1ncn2c(cc3ccccc32)c1=O)NCc1ccco1,0,0.0,
+O=C(Cn1ncn2cccc2c1=O)N1CCCCC1,0,0.0,
+O=C(Cn1ncnn1)OCc1ccccc1Cl,0,0.0,
+O=C(Cn1nnc(-c2cc(Cl)ccc2-n2cnnn2)n1)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1nnc(-c2ccc(CN3CCOCC3)cc2)n1)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1nnc(-c2ccc(CN3CCOCC3)cc2)n1)NC1CCCCC1,0,0.0,
+O=C(Cn1nnc(-c2ccc(CN3CCOCC3)cc2)n1)Nc1nc(-c2ccccc2)cs1,0,0.0,
+O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CC2CCC1C2,0,0.0,
+O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCC1CCCCC1,0,0.0,
+O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCCC1=CCCCC1,0,0.0,
+O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)N1c2ccccc2CCc2ccccc21,0,0.0,
+O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)OC1CCCCC1,0,0.0,
+O=C(Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1)N1CCOCC1,0,0.0,
+O=C(Cn1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1)NCC1CCCO1,0,0.0,
+O=C(Cn1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1)Nc1ccccc1-n1cccc1,0,0.0,
+O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)N1CCOCC1,0,0.0,
+O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)NCc1ccco1,0,0.0,
+O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCOCC1,1,100.0,0.0
+O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC(=O)NCc1ccco1,0,0.0,
+O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC1CCCC1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccccc1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2)n1)NCc1cccs1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1N1CCOCC1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2)n1)OC1CCOC1=O,0,0.0,
+O=C(Cn1nnc(-c2ccccc2)n1)OCc1ccccc1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2)n1)OCc1csc(-c2ccccc2)n1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2)n1)c1ccccc1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)N1CCCCC1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)NCc1ccccc1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2F)n1)NCCc1ccccc1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc(C(=O)N2CCOCC2)cc1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(Cn1nnc(-c2ccccc2F)n1)Nc1cccc2ncccc12,0,0.0,
+O=C(Cn1nnc(-c2ccccc2NC(=O)C2CC2)n1)NC1CCCCC1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2F)n1)NCc1ccco1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)NC1CCCCC1,0,0.0,
+O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)Nc1ccccc1,0,0.0,
+O=C(Cn1nnc(-c2cccs2)n1)N1CCc2ccccc2C1,0,0.0,
+O=C(Cn1nnc(-c2cccs2)n1)OC1CCCCC1,0,0.0,
+O=C(Cn1nnc(-c2ccncc2)n1)N(C1CCCCC1)C1CCCCC1,0,0.0,
+O=C(Cn1nnc(-c2ccncc2)n1)NCCc1ccccc1,0,0.0,
+O=C(Cn1nnc(-c2ccncc2)n1)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)OC1CCCCC1,0,0.0,
+O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1F,0,0.0,
+O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)NCc1cccs1,0,0.0,
+O=C(Cn1nnc2ccccc21)C1CC1,0,0.0,
+O=C(Cn1nnc2ccccc21)NC1CCCCC1,0,0.0,
+O=C(Cn1nnc2ccccc21)NCc1ccccc1,0,0.0,
+O=C(Cn1nnc2ccccc2c1=O)N1CCCc2ccccc21,0,0.0,
+O=C(Cn1nnc2ccccc2c1=O)NC1CCCc2ccccc21,0,0.0,
+O=C(Cn1nnc2ccccc2c1=O)NCc1ccco1,0,0.0,
+O=C(Cn1nnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+O=C(Cn1nnc2ccccc2c1=O)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(N(c1ccccc1)c1ccccc1)n1ccnc1,0,0.0,
+O=C(N/C(=N\O)c1ccccc1)Nc1ccc(Cl)cc1,1,100.0,0.0
+O=C(N1CCC(O)(c2cccnc2)CC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(N1CCCC1)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1,0,0.0,
+O=C(N1CCCC1)n1c(Cc2ccccc2)nc2ccccc21,0,0.0,
+O=C(N1CCCCC1)C1(c2ccccc2)CCOCC1,0,0.0,
+O=C(N1CCCCC1)C12CC3CC(C1)CC(C(=O)N1CCCCC1)(C3)C2,0,0.0,
+O=C(N1CCCCC1)N1CCCN(C(=O)N2CCCCC2)CC1,0,0.0,
+O=C(N1CCCCC1)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(N1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(N1CCCCCC1)N1CCN(C(=O)N2CCCCC2)CC1,0,0.0,
+O=C(N1CCCCCC1)N1CCN(C(=O)N2CCOCC2)CC1,0,0.0,
+O=C(N1CCCCCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=C(N1CCCCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(N1CCN(CCO)CC1)N1c2ccccc2C=Cc2ccccc21,1,100.0,1.0
+O=C(N1CCN(Cc2ccc3c(c2)OCO3)CC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(N1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(N1CCN(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(N1CCN(c2ccccc2)CC1)C(F)(F)C(F)(F)F,0,0.0,
+O=C(N1CCN(c2ccccc2)CC1)C(F)(F)C(F)F,0,0.0,
+O=C(N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(N1CCN(c2ccccc2F)CC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(N1CCN(c2ccccn2)CC1)N1c2ccccc2Sc2ccccc21,0,0.0,
+O=C(N1CCN=C1SCc1cccnc1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(N1CCOCC1)C(F)(F)C(=O)N1CCOCC1,0,0.0,
+O=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N1CCOCC1,0,0.0,
+O=C(N1CCOCC1)C(F)(F)S(=O)(=O)Nc1ccccc1,0,0.0,
+O=C(N1CCOCC1)C1(c2ccccc2)CCCCC1,0,0.0,
+O=C(N1CCOCC1)C12CC3CC(C1)CC(C(=O)N1CCOCC1)(C3)C2,0,0.0,
+O=C(N1CCOCC1)C12CCC3CC(CC(C3)C1)C2,0,0.0,
+O=C(N1CCOCC1)N(CCN1CCOCC1)Cc1cccc(Cl)c1,0,0.0,
+O=C(N1CCOCC1)N(Cc1ccccc1)c1ccccn1,0,0.0,
+O=C(N1CCOCC1)N(Cc1ccco1)CC1CCCO1,0,0.0,
+O=C(N1CCOCC1)N(Cc1cccs1)C1CCCC1,0,0.0,
+O=C(N1CCOCC1)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+O=C(N1CCOCC1)N1CCC(n2nnc3ccccc32)CC1,0,0.0,
+O=C(N1CCOCC1)N1CCCC(c2nc(-c3cccs3)no2)C1,0,0.0,
+O=C(N1CCOCC1)N1CCCN(C(=O)N2CCOCC2)CC1,0,0.0,
+O=C(N1CCOCC1)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(N1CCOCC1)N1CCN(CC(O)COc2ccc3ccccc3c2)CC1,0,0.0,
+O=C(N1CCOCC1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(N1CCOCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=C(N1CCOCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1,0,0.0,
+O=C(N1CCOCC1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(N1CCOCC1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(N1CCOCC1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1,0,0.0,
+O=C(N1CCOCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1,0,0.0,
+O=C(N1CCOCC1)N1CCOCC1,0,0.0,
+O=C(N1CCOCC1)N1c2ccccc2CC(N2CCOCC2)c2ccccc21,0,0.0,
+O=C(N1CCOCC1)n1nnc2ccccc21,0,0.0,
+O=C(N=C1SCC(=O)N1c1ccccc1Cl)c1ccco1,0,0.0,
+O=C(N=c1nc2ccccn2s1)c1ccccc1,0,0.0,
+O=C(NC(=Nc1ccccc1)N1CCOCC1)Nc1ccccc1,0,0.0,
+O=C(NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1,0,0.0,
+O=C(NC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1,0,0.0,
+O=C(NC(=O)c1ccc(Cl)c(Cl)c1)OC1CCS(=O)(=O)C1,0,0.0,
+O=C(NC(=O)c1ccc(Cl)cc1)Nc1cc(N2CCCCC2)ncn1,0,0.0,
+O=C(NC(=O)c1cccc(F)c1)OC[C@@H]1CCCN2CCCC[C@H]12,0,0.0,
+O=C(NC(=O)c1cccc(OC(F)(F)C(F)F)c1)OC1CCS(=O)(=O)C1,1,100.0,
+O=C(NC(=O)c1ccccc1)NC1(C(F)(F)F)OCCO1,1,100.0,0.0
+O=C(NC(=O)c1ccccc1)OCC(F)(F)F,0,0.0,
+O=C(NC(C(=O)N1CCCC1C(=O)O)=C1CCCCC1)c1ccccc1,0,0.0,
+O=C(NC(C(=O)O)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(NC(C(=O)c1ccccc1)N1CCCCC1)c1ccccc1,0,0.0,
+O=C(NC(C(=O)c1ccccc1)N1CCOCC1)c1ccccc1,0,0.0,
+O=C(NC(C(=O)c1ccccc1)N1CCOCC1)c1cccs1,0,0.0,
+O=C(NC(C(=O)c1ccccc1)n1ccc(=O)[nH]c1=O)c1ccccc1,0,0.0,
+O=C(NC(C(=O)c1ccccc1)n1cnccc1=O)c1ccccc1,0,0.0,
+O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1,0,0.0,
+O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1cccs1,0,0.0,
+O=C(NC(Cc1ccc(F)cc1)C(=O)O)c1ccccc1,0,0.0,
+O=C(NC(Cc1ccc2c(c1)OCO2)C(=O)N1CCCC1C(=O)O)c1ccccc1,0,0.0,
+O=C(NC(Cc1ccccc1)C(=O)N1CCC2(CC1)OCCO2)C1CCCCC1,0,0.0,
+O=C(NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)O)c1ccccc1,0,0.0,
+O=C(NC(Cc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1)c1ccco1,0,0.0,
+O=C(NC(Cc1ccccc1)C(=O)NCc1ccccn1)c1ccco1,0,0.0,
+O=C(NC(Cc1ccccc1)C(=O)O)OCc1ccccc1,0,0.0,
+O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1,0,0.0,
+O=C(NC(Cc1ccccc1)C(=O)OCC(=O)N1CCc2ccccc21)c1ccco1,0,0.0,
+O=C(NC(Cc1ccccc1)c1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1,0,0.0,
+O=C(NC(NC(=O)c1ccco1)c1ccccc1)c1ccco1,0,0.0,
+O=C(NC(NC1CCS(=O)(=O)C1)C(=O)c1ccccc1)c1ccc(Cl)cc1,0,0.0,
+O=C(NC(NC1CCS(=O)(=O)C1)C(=O)c1cccs1)c1ccccc1,0,0.0,
+O=C(NC(NCCCN1CCOCC1)(C(F)(F)F)C(F)(F)F)C1CCCCC1,0,0.0,
+O=C(NC(NCc1ccccn1)(C(F)(F)F)C(F)(F)F)c1ccco1,0,0.0,
+O=C(NC(Nc1ncccn1)C(=O)c1ccccc1)c1ccccc1,0,0.0,
+O=C(NC(O)C(=O)c1ccccc1)c1cccs1,0,0.0,
+O=C(NC(O)C(=O)c1cccs1)c1cccnc1,0,0.0,
+O=C(NC(c1ccccc1)c1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NC(c1ccccc1)c1ccccc1)N1CCN(CCO)CC1,0,0.0,
+O=C(NC1(C(=O)NC2CCCC2)CCCCC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NC1(C(=O)NC2CCCCC2)CCCCC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1cccnc1,0,0.0,
+O=C(NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)C1CC1,0,0.0,
+O=C(NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)C1CCCCC1,0,0.0,
+O=C(NC1(C(F)(F)F)N=C2SCCN2C1=O)C1CCCCC1,0,0.0,
+O=C(NC1(C(F)(F)F)N=C2SCCN2C1=O)c1ccco1,0,0.0,
+O=C(NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)c1cccs1,0,0.0,
+O=C(NC1(C(F)(F)F)NC(=O)N(CC2CCCCC2)C1=O)c1ccco1,0,0.0,
+O=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1cccs1,0,0.0,
+O=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1ccncc1,0,0.0,
+O=C(NC1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1cccnc1,0,0.0,
+O=C(NC1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1cccs1,0,0.0,
+O=C(NC1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CCCC1,0,0.0,
+O=C(NC1(O)C(=O)c2ccccc2C1=O)c1ccccc1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)C1=COCCO1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)C1CCCN1C(=O)NC1CCCCC1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)N1CC2Cc3cccc(=O)n3C(C2)C1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(O)(c2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(O)CC1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(n2nnc3ccccc32)CC1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)N1CCCC(CO)C1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)C2CCCO2)CC1,1,100.0,0.0
+O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(=O)oc1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1O,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cccnc1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cncc(O)c1,0,0.0,
+O=C(NC12CC3CC(CC(C3)C1)C2)c1cnccn1,0,0.0,
+O=C(NC12CCC(O)C(SC1)/C2=N/O)c1ccccc1,0,0.0,
+O=C(NC1=NC2CCCCC2N1)c1ccccc1,0,0.0,
+O=C(NC1=NCCS1)C12CC3CC(C1)CC(C(=O)NC1=NCCS1)(C3)C2,0,0.0,
+O=C(NC1=NCCS1)C1CC(=O)N(c2ccccc2)C1,0,0.0,
+O=C(NC1=NCCS1)C1CC2CCC1C2,0,0.0,
+O=C(NC1=NCCS1)C1COc2ccccc2O1,0,0.0,
+O=C(NC1=NCCS1)C1Cc2ccccc2CN1C(=O)c1ccccc1,0,0.0,
+O=C(NC1=NCCS1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NC1=NCCS1)Nc1ccccc1,0,0.0,
+O=C(NC1=NCCS1)c1cc(-c2ccccc2)nn1-c1ccccc1,0,0.0,
+O=C(NC1=NCCS1)c1cc2ccccc2o1,0,0.0,
+O=C(NC1=NCCS1)c1ccc(-c2ccc(Cl)cc2)o1,0,0.0,
+O=C(NC1=NCCS1)c1ccc(Cl)s1,1,100.0,0.0
+O=C(NC1=NCCS1)c1ccc(OCC2CCCO2)cc1,0,0.0,
+O=C(NC1=NCCS1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O,0,0.0,
+O=C(NC1=NCCS1)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+O=C(NC1=NCCS1)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(NC1=NCCS1)c1cccs1,0,0.0,
+O=C(NC1=NCCS1)c1ccncc1,0,0.0,
+O=C(NC1=NCCS1)c1csc2ccccc12,0,0.0,
+O=C(NC1=NCCS1)c1nc(-c2ccccc2)n(-c2ccccc2)n1,0,0.0,
+O=C(NC1C2CC3CC(C2)CC1C3)C1CC1,0,0.0,
+O=C(NC1C=CS(=O)(=O)C1)c1sc2ccccc2c1Cl,0,0.0,
+O=C(NC1CC1)C1C2C3C4CC5C3C5C4C12,0,0.0,
+O=C(NC1CC1)C1CC(=O)N(C2CCCCC2)C1,0,0.0,
+O=C(NC1CC1)C1CCC(=O)N1C1CCCC1,0,0.0,
+O=C(NC1CC1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1,0,0.0,
+O=C(NC1CC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,0,0.0,
+O=C(NC1CC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1,0,0.0,
+O=C(NC1CC1)C1CSC(c2cccnc2)=N1,0,0.0,
+O=C(NC1CC1)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2c1=O,0,0.0,
+O=C(NC1CC1)c1cc2c(s1)-c1ccccc1OC2,0,0.0,
+O=C(NC1CC1)c1ccc(-c2nc3ccccc3s2)s1,0,0.0,
+O=C(NC1CC1)c1ccc(COc2ccc(F)cc2)o1,0,0.0,
+O=C(NC1CC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1,0,0.0,
+O=C(NC1CC1)c1ccc(CSCc2cccc(F)c2)o1,0,0.0,
+O=C(NC1CC1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1,0,0.0,
+O=C(NC1CC1)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1,0,0.0,
+O=C(NC1CC1)c1ccc2c(c1)ncn2C1CCCC1,0,0.0,
+O=C(NC1CC1)c1cccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1,0,0.0,
+O=C(NC1CC1)c1scc2c1OCCO2,0,0.0,
+O=C(NC1CC2CCC(C1)N2C(=O)NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NC1CC2CCC(C1)N2C(=O)NCc1ccccc1)C1CC1,1,100.0,1.0
+O=C(NC1CC2CCC(C1)N2Cc1nnnn1Cc1ccco1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NC1CC2CCC1C2)C1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1,0,0.0,
+O=C(NC1CC2CCC1C2)C1COc2ccccc2O1,0,0.0,
+O=C(NC1CC2CCC1C2)c1ccc(CN2CCOCC2)cc1,0,0.0,
+O=C(NC1CC2CCCC(C1)N2C(=O)N1CCCCC1)C1CCCCC1,0,0.0,
+O=C(NC1CC2CCCC(C1)N2C(=O)NC1CCCCC1)c1ccc(F)cc1,0,0.0,
+O=C(NC1CC2CCCC(C1)N2C(=O)NC1CCCCC1)c1ccccc1,0,0.0,
+O=C(NC1CC2CCCC(C1)N2C(=O)NCc1ccccc1)C1CC1,0,0.0,
+O=C(NC1CC2CCCC(C1)N2C(=O)Nc1ccccc1)c1ccncc1,0,0.0,
+O=C(NC1CC2CCCC(C1)N2C1CC1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NC1CC2CCCC(C1)N2CC(=O)N1CCCc2ccccc21)C1CCCCC1,0,0.0,
+O=C(NC1CC2CCCC(C1)N2Cc1ccco1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NC1CC2CCCC(C1)N2Cc1cccs1)N1CCOCC1,0,0.0,
+O=C(NC1CC2CCCC(C1)N2S(=O)(=O)c1ccccc1)c1ccccc1,0,0.0,
+O=C(NC1CCC(C(=O)O)CC1)OCc1ccccc1,0,0.0,
+O=C(NC1CCC(NC(=O)C(F)(F)C(F)F)CC1)C(F)(F)C(F)F,0,0.0,
+O=C(NC1CCC(NC(=O)C2CCCO2)CC1)C1CCCO1,0,0.0,
+O=C(NC1CCCC1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,0,0.0,
+O=C(NC1CCCC1)C(c1ccc(Cl)cc1)N1CCOCC1,0,0.0,
+O=C(NC1CCCC1)C(c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)C(=O)c1ccco1,0,0.0,
+O=C(NC1CCCC1)C(c1ccc(N2CCOCC2)cc1)N(Cc1ccco1)C(=O)c1ccco1,0,0.0,
+O=C(NC1CCCC1)C(c1ccc(O)cc1)N(CC1CCCO1)C(=O)C1COc2ccccc2O1,0,0.0,
+O=C(NC1CCCC1)C(c1ccccc1)N(C(=O)c1ccno1)c1cccnc1,0,0.0,
+O=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)c1ccco1)C1CCCC1,0,0.0,
+O=C(NC1CCCC1)C(c1ccccn1)N(C(=O)c1csnn1)C1CC1,0,0.0,
+O=C(NC1CCCC1)C(c1ccco1)N(Cc1ccccc1)C(=O)c1csnn1,0,0.0,
+O=C(NC1CCCC1)C(c1cccs1)N(C(=O)c1ccco1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(NC1CCCC1)C(c1cccs1)N(C(=O)c1ccno1)c1ccccc1,0,0.0,
+O=C(NC1CCCC1)C(c1cccs1)N(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1,0,0.0,
+O=C(NC1CCCC1)C(c1cccs1)N(Cc1ccco1)C(=O)c1csnn1,0,0.0,
+O=C(NC1CCCC1)C(c1ccncc1)N(Cc1cccs1)C(=O)c1csnn1,0,0.0,
+O=C(NC1CCCC1)C(c1ccsc1)N(Cc1ccco1)C(=O)Cc1cccs1,0,0.0,
+O=C(NC1CCCC1)C1C2C=CC(C2)C1C(=O)N1CCOCC1,0,0.0,
+O=C(NC1CCCC1)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2,0,0.0,
+O=C(NC1CCCC1)C1CC(=O)N(C2CCCCCCC2)C1,0,0.0,
+O=C(NC1CCCC1)C1CC(=O)N(CCc2ccccc2)C1,0,0.0,
+O=C(NC1CCCC1)C1CC(c2ccc(F)cc2)=NO1,0,0.0,
+O=C(NC1CCCC1)C1CC1c1ccccc1,0,0.0,
+O=C(NC1CCCC1)C1CCC(=O)N1C1CCCC1,0,0.0,
+O=C(NC1CCCC1)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1,0,0.0,
+O=C(NC1CCCC1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+O=C(NC1CCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccc(Cl)cc1,0,0.0,
+O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccccc1,0,0.0,
+O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccccc1Cl,0,0.0,
+O=C(NC1CCCC1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,0,0.0,
+O=C(NC1CCCC1)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=C(NC1CCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+O=C(NC1CCCC1)C1c2ccccc2C(=O)N1C1CCCCC1,0,0.0,
+O=C(NC1CCCC1)C1c2ccccc2C(=O)N1CCCN1CCOCC1,0,0.0,
+O=C(NC1CCCC1)NS(=O)(=O)c1ccccc1Cl,0,0.0,
+O=C(NC1CCCC1)c1c[nH]c2ccc(F)cc2c1=O,0,0.0,
+O=C(NC1CCCC1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(NC1CCCC1)c1ccc(Br)s1,0,0.0,
+O=C(NC1CCCC1)c1ccc(COCC(F)(F)C(F)F)o1,0,0.0,
+O=C(NC1CCCC1)c1ccc(COCC(F)(F)F)o1,0,0.0,
+O=C(NC1CCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,0,0.0,
+O=C(NC1CCCC1)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1,0,0.0,
+O=C(NC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(NC1CCCC1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,0.0,
+O=C(NC1CCCC1)c1ccc2nc[nH]c2c1,0,0.0,
+O=C(NC1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(NC1CCCC1)c1cccnc1N1CCCCCC1,0,0.0,
+O=C(NC1CCCC1)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(NC1CCCC1)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12,0,0.0,
+O=C(NC1CCCC1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,0,0.0,
+O=C(NC1CCCC1)c1csc2c1CCCC2,0,0.0,
+O=C(NC1CCCC1)c1nc2c(nnn2Cc2cccc(Cl)c2)c(=O)[nH]1,0,0.0,
+O=C(NC1CCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12,0,0.0,
+O=C(NC1CCCCC1)/C(=N\O)c1ccccn1,0,0.0,
+O=C(NC1CCCCC1)C(c1ccc(Cl)cc1)N(C(=O)c1cnccn1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NC1CCCCC1)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21,0,0.0,
+O=C(NC1CCCCC1)C(c1ccccc1)N(Cc1ccco1)C(=O)Cn1cnc2ccccc21,0,0.0,
+O=C(NC1CCCCC1)C(c1ccccc1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(NC1CCCCC1)C(c1ccccc1)N1CCCC1,1,100.0,1.0
+O=C(NC1CCCCC1)C(c1ccccc1)N1CCOCC1,0,0.0,
+O=C(NC1CCCCC1)C(c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21,0,0.0,
+O=C(NC1CCCCC1)C(c1ccco1)N(C(=O)c1csnn1)C1CCCC1,0,0.0,
+O=C(NC1CCCCC1)C(c1ccco1)N(Cc1cccnc1)C(=O)C1COc2ccccc2O1,0,0.0,
+O=C(NC1CCCCC1)C(c1ccco1)N(Cc1ccco1)C(=O)c1ccco1,0,0.0,
+O=C(NC1CCCCC1)C(c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,0,0.0,
+O=C(NC1CCCCC1)C(c1cccs1)N(Cc1cccs1)C(=O)c1ccco1,0,0.0,
+O=C(NC1CCCCC1)C(c1ccncc1)N(CC1CCCO1)C(=O)C(F)(F)F,0,0.0,
+O=C(NC1CCCCC1)C1CC(=O)N(c2ccc(Cl)cc2)C1,0,0.0,
+O=C(NC1CCCCC1)C1CC(O)CN1C(=O)OCc1ccccc1,0,0.0,
+O=C(NC1CCCCC1)C1CCCN(S(=O)(=O)c2cccs2)C1,0,0.0,
+O=C(NC1CCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NC1CCCCC1)C1CCCN(c2nnnn2-c2ccccc2)C1,0,0.0,
+O=C(NC1CCCCC1)C1CCCN1C(=O)NCc1ccccc1,0,0.0,
+O=C(NC1CCCCC1)C1CCCN1S(=O)(=O)c1cccc2nsnc12,0,0.0,
+O=C(NC1CCCCC1)C1CCN(C(=O)NCc2ccccc2)CC1,1,100.0,0.0
+O=C(NC1CCCCC1)C1CCN(S(=O)(=O)N2CCCCCC2)CC1,0,0.0,
+O=C(NC1CCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(NC1CCCCC1)C1CCN(c2nccs2)CC1,0,0.0,
+O=C(NC1CCCCC1)C1CCN(c2nnnn2-c2ccccc2)CC1,0,0.0,
+O=C(NC1CCCCC1)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,0,0.0,
+O=C(NC1CCCCC1)C1c2ccccc2C(=O)N1Cc1ccco1,0,0.0,
+O=C(NC1CCCCC1)N(CCN1CCCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,0,0.0,
+O=C(NC1CCCCC1)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,0,0.0,
+O=C(NC1CCCCC1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)CC1CCCO1,0,0.0,
+O=C(NC1CCCCC1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+O=C(NC1CCCCC1)N(Cc1ccccc1)Cc1ccco1,0,0.0,
+O=C(NC1CCCCC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1,0,0.0,
+O=C(NC1CCCCC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCC1,0,0.0,
+O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1,0,0.0,
+O=C(NC1CCCCC1)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1,0,0.0,
+O=C(NC1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1,0,0.0,
+O=C(NC1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,0,0.0,
+O=C(NC1CCCCC1)N1CCC(n2cnc3ccccc32)CC1,0,0.0,
+O=C(NC1CCCCC1)N1CCCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1,0,0.0,
+O=C(NC1CCCCC1)N1CCCC(c2nc3ccccc3[nH]2)C1,0,0.0,
+O=C(NC1CCCCC1)N1CCCCCC1,0,0.0,
+O=C(NC1CCCCC1)N1CCCCCCC1,0,0.0,
+O=C(NC1CCCCC1)N1CCCc2ccccc21,0,0.0,
+O=C(NC1CCCCC1)N1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(NC1CCCCC1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1,0,0.0,
+O=C(NC1CCCCC1)N1CCSC1=Nc1ccccc1,0,0.0,
+O=C(NC1CCCCC1)N1CCc2[nH]c3ccccc3c2C1,0,0.0,
+O=C(NC1CCCCC1)N1CCc2ccccc21,0,0.0,
+O=C(NC1CCCCC1)NC1(C(=O)N2CCN3CCCC3C2)CCCCC1,0,0.0,
+O=C(NC1CCCCC1)NC1(C(=O)NCCCN2CCOCC2)CCCCC1,0,0.0,
+O=C(NC1CCCCC1)NC1CC2CCC(C1)N2C(=O)NC1CCCCC1,0,0.0,
+O=C(NC1CCCCC1)NC1CC2CCC(C1)N2C(=O)NCc1ccccc1,0,0.0,
+O=C(NC1CCCCC1)NC1CCN(CC(=O)N2CCOCC2)CC1,0,0.0,
+O=C(NC1CCCCC1)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(NC1CCCCC1)NC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,0,0.0,
+O=C(NC1CCCCC1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,0,0.0,
+O=C(NC1CCCCC1)Sc1ccc(Cl)cc1,0,0.0,
+O=C(NC1CCCCC1)[C@H](O)[C@@H](O)C(=O)NC1CCCCC1,0,0.0,
+O=C(NC1CCCCC1)c1cc(-c2ccco2)on1,0,0.0,
+O=C(NC1CCCCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(NC1CCCCC1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3,0,0.0,
+O=C(NC1CCCCC1)c1ccc(Br)o1,0,0.0,
+O=C(NC1CCCCC1)c1ccc(CNc2ccccc2)o1,0,0.0,
+O=C(NC1CCCCC1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1,0,0.0,
+O=C(NC1CCCCC1)c1ccc(Cn2cc(Br)cn2)o1,0,0.0,
+O=C(NC1CCCCC1)c1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(NC1CCCCC1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1,0,0.0,
+O=C(NC1CCCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1,1,100.0,0.0
+O=C(NC1CCCCC1)c1ccc2c(=O)n(CC3CCCO3)c(=O)[nH]c2c1,0,0.0,
+O=C(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NC1CCCCC1)c1cccnc1C(=O)O,0,0.0,
+O=C(NC1CCCCC1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,0,0.0,
+O=C(NC1CCCCC1)c1nc2c(nnn2Cc2ccccc2Cl)c(=O)[nH]1,0,0.0,
+O=C(NC1CCCCC1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br,0,0.0,
+O=C(NC1CCCCC1)c1noc2c1CCCCC2,1,100.0,0.0
+O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12,1,100.0,0.0
+O=C(NC1CCCCC1)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+O=C(NC1CCCCC1)n1c(=O)oc2ccc(Cl)cc21,0,0.0,
+O=C(NC1CCCCC1)n1c(=O)oc2ccccc21,1,100.0,0.0
+O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1,0,0.0,
+O=C(NC1CCCCC1NC(=O)c1cccs1)c1cccs1,0,0.0,
+O=C(NC1CCCCCC1)C1C2C=CC3(CN(Cc4cccnc4)C(=O)C13)O2,0,0.0,
+O=C(NC1CCCCCC1)C1CC(=O)N(Cc2ccccc2)C1,0,0.0,
+O=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2cccs2)C1,0,0.0,
+O=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NC1CCCCCC1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,0,0.0,
+O=C(NC1CCCCCC1)C1CCN(C(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(NC1CCCCCC1)C1CCN(c2nc3ccccc3o2)CC1,0,0.0,
+O=C(NC1CCCCCC1)C1c2ccccc2C(=O)N1C1CC1,0,0.0,
+O=C(NC1CCCCCC1)C1c2ccccc2C(=O)N1CCCN1CCOCC1,0,0.0,
+O=C(NC1CCCCCC1)C1c2ccccc2C(=O)N1Cc1cccnc1,0,0.0,
+O=C(NC1CCCCCC1)C1c2ccccc2C(=O)N1Cc1ccco1,0,0.0,
+O=C(NC1CCCCCC1)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(NC1CCCCCC1)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+O=C(NC1CCCCCC1)c1c(O)c2ccccc2[nH]c1=O,0,0.0,
+O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F,0,0.0,
+O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1,0,0.0,
+O=C(NC1CCCCCC1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2,0,0.0,
+O=C(NC1CCCCCC1)c1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C(NC1CCCCCC1)c1cccc(N2CCCC2=O)c1,0,0.0,
+O=C(NC1CCCCCC1)c1cccs1,0,0.0,
+O=C(NC1CCCCCC1)c1nc2ncccn2n1,0,0.0,
+O=C(NC1CCCCCC1)c1nnc(Cc2ccc(Cl)cc2)o1,0,0.0,
+O=C(NC1CCCCCCC1)C1=COCCO1,0,0.0,
+O=C(NC1CCCCCCC1)C1CCC(CNc2c(N3CCCC3)c(=O)c2=O)CC1,0,0.0,
+O=C(NC1CCCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1,0,0.0,
+O=C(NC1CCCCCCC1)C1CCN(c2nc3ccccc3o2)CC1,0,0.0,
+O=C(NC1CCCCCCC1)c1ccc(CNc2c(N3CCOCC3)c(=O)c2=O)cc1,0,0.0,
+O=C(NC1CCCCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)C[S+]2[O-],0,0.0,
+O=C(NC1CCCCCCC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NC1CCCCCCC1)c1ccccc1O,1,100.0,0.0
+O=C(NC1CCCCCCC1)c1cnccn1,0,0.0,
+O=C(NC1CCCCNC1=O)c1ccc(Cl)cc1,0,0.0,
+O=C(NC1CCCc2ccccc21)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1,0,0.0,
+O=C(NC1CCCc2ccccc21)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NC1CCCc2ccccc21)C1CCCO1,0,0.0,
+O=C(NC1CCCc2ccccc21)C1CCN(C(=O)c2sccc2-n2cccc2)CC1,0,0.0,
+O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)N2CCCCCC2)CC1,0,0.0,
+O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,0,0.0,
+O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,0,0.0,
+O=C(NC1CCCc2ccccc21)C1CCN(c2c(N3CCCC3)c(=O)c2=O)CC1,0,0.0,
+O=C(NC1CCCc2ccccc21)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1,0,0.0,
+O=C(NC1CCCc2ccccc21)C1CCN(c2nnc(-n3cccc3)s2)CC1,0,0.0,
+O=C(NC1CCCc2ccccc21)c1ccc(CNc2c(N3CCOCC3)c(=O)c2=O)cc1,0,0.0,
+O=C(NC1CCCc2ccccc21)c1cccnc1,0,0.0,
+O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1ccccc1,0,0.0,
+O=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccco1,0,0.0,
+O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1ccco1,0,0.0,
+O=C(NC1CCN(C(=O)NCc2ccccc2)CC1)c1ccco1,0,0.0,
+O=C(NC1CCN(C(=O)Nc2cccc(F)c2)CC1)C1CCCCC1,0,0.0,
+O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)C1CCCCC1,0,0.0,
+O=C(NC1CCN(Cc2ccccc2)CC1)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,0,0.0,
+O=C(NC1CCN(Cc2ccccc2)CC1)C1CCCN(c2nnc(-n3cccc3)s2)C1,1,100.0,1.0
+O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2nnc(-n3cccc3)s2)CC1,1,100.0,1.0
+O=C(NC1CCN(Cc2ccccc2)CC1)C1COc2ccccc2O1,1,100.0,1.0
+O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1F,0,0.0,
+O=C(NC1CCN(Cc2nnnn2CCc2ccccc2)CC1)c1ccccc1F,0,0.0,
+O=C(NC1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NC1CCS(=O)(=O)C1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1,1,100.0,0.0
+O=C(NC1CCS(=O)(=O)C1)N1CCCCC1,0,0.0,
+O=C(NC1CCS(=O)(=O)C1)OC1CCCCC1,0,0.0,
+O=C(NC1CCS(=O)(=O)C1)c1c(NC(=O)C2COc3ccccc3O2)sc2c1CCCC2,0,0.0,
+O=C(NC1CCS(=O)(=O)C1)c1ccc(-c2ccc(Br)cc2)o1,0,0.0,
+O=C(NC1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+O=C(NC1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(NC1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NC1CCS(=O)(=O)C1)c1ccccc1C(=O)c1ccccc1,0,0.0,
+O=C(NC1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nc1-c1ccccc1,0,0.0,
+O=C(NC1CCS(=O)(=O)C1)c1cnccn1,0,0.0,
+O=C(NC1CCSC1=O)c1ccc(Cl)cc1,0,0.0,
+O=C(NC1CCSC1=O)c1cccc(C(=O)NC2CCSC2=O)c1,0,0.0,
+O=C(NC1CCc2ccccc21)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1,0,0.0,
+O=C(NC1CS(=O)(=O)CC1NCc1ccccc1)c1ccccc1,0,0.0,
+O=C(NC1CS(=O)(=O)CC1NCc1ccco1)c1ccccc1,0,0.0,
+O=C(NC1CSC/C1=N\O)c1ccccc1,0,0.0,
+O=C(NC1c2ccccc2-c2ccccc21)N1CCCCC1,0,0.0,
+O=C(NC1c2ccccc2-c2ccccc21)c1ccco1,0,0.0,
+O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCC1)c1ccc(F)cc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(CCN1CCOCC1)C(C(=O)NC1CCCC1)c1cccs1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCCC1)c1ccncc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(Cc1ccc(F)cc1)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(Cc1ccccc1)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1cccnc1)c1cccs1,0,0.0,
+O=C(NCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCCC1)c1cccnc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(Cc1cccs1)C(C(=O)NC1CCCC1)c1ccco1)c1cccs1,0,0.0,
+O=C(NCC(=O)N(Cc1cccs1)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(c1ccc(F)cc1)C(C(=O)NCC1CCCO1)c1ccccc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(c1ccc2c(c1)OCCO2)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCC1)c1cccs1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(c1cccc(F)c1)C(C(=O)NCC1CCCO1)c1ccccc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCCC1)c1ccncc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(c1ccccc1)C(C(=O)NCC1CCCO1)c1ccccc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(c1ccccc1F)C(C(=O)NCC1CCCO1)c1ccccc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCC1)c1ccco1)c1cccs1,0,0.0,
+O=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCCC1)c1cccnc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N(c1cnc2ccccc2c1)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1,0,0.0,
+O=C(NCC(=O)N1CCC(N2CCCCC2)CC1)C1CCCCC1,0,0.0,
+O=C(NCC(=O)N1CCCC1)c1cccs1,0,0.0,
+O=C(NCC(=O)N1CCCC1C(=O)O)OC1CCCCC1,0,0.0,
+O=C(NCC(F)(F)F)N1CCOCC1,0,0.0,
+O=C(NCC(F)(F)F)Nc1cccnc1,0,0.0,
+O=C(NCC(F)(F)F)Nc1ncccn1,0,0.0,
+O=C(NCC(F)(F)F)Nc1nnc(C(F)(F)F)s1,1,100.0,0.0
+O=C(NCC(O)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)o1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)OCc1ccccc1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)Oc1ccccc1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)C1CCCCC1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)OCc1ccccc1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)Oc1ccccc1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccco1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)C1CCCCC1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)OCc1ccccc1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)Oc1ccccc1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccccc1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCOCC1)C1CCCCC1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCOCC1)Nc1ccccc1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCOCC1)Oc1ccccc1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCOCC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NCC(c1cccnc1)N1CCOCC1)c1cccc(Cl)c1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCOCC1)c1ccco1,0,0.0,
+O=C(NCC(c1cccnc1)N1CCOCC1)c1cccs1,0,0.0,
+O=C(NCC(c1cccs1)N1CCOCC1)c1cc2ccccc2o1,0,0.0,
+O=C(NCC(c1cccs1)N1CCOCC1)c1ccc(Cl)s1,0,0.0,
+O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1,0,0.0,
+O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(Br)o1,0,0.0,
+O=C(NCC12CC3CC(C1)CC(CNC(=O)N1CCCC1)(C3)C2)N1CCCC1,0,0.0,
+O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2,0,0.0,
+O=C(NCC12CC3CC(CC(C3)C1)C2)c1nc2ncccn2n1,0,0.0,
+O=C(NCC12CC3CC(CC(C3)C1)C2)c1nn2c(c1Cl)NC(c1ccco1)CC2C(F)(F)F,0,0.0,
+O=C(NCC1CC1)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1,0,0.0,
+O=C(NCC1CCC(C(=O)O)CC1)c1cccnc1,0,0.0,
+O=C(NCC1CCCCC1)C1CCCN(C(=O)NC2CCCCC2)C1,0,0.0,
+O=C(NCC1CCCCC1)C1CCN(C(=O)NC2CCCCC2)CC1,0,0.0,
+O=C(NCC1CCCCC1)c1ccco1,0,0.0,
+O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,0,0.0,
+O=C(NCC1CCCO1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O,0,0.0,
+O=C(NCC1CCCO1)C(C(=O)c1ccccc1)n1cc(Cl)ccc1=O,0,0.0,
+O=C(NCC1CCCO1)C(C(=O)c1ccccc1)n1ccccc1=O,0,0.0,
+O=C(NCC1CCCO1)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2,0,0.0,
+O=C(NCC1CCCO1)C1CC(=O)N(C2CCCCCC2)C1,0,0.0,
+O=C(NCC1CCCO1)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,0,0.0,
+O=C(NCC1CCCO1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1,0,0.0,
+O=C(NCC1CCCO1)C1CCC(=O)N1CCc1ccccc1,0,0.0,
+O=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccccc1Cl,0,0.0,
+O=C(NCC1CCCO1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(NCC1CCCO1)C1CCC(N2C(=O)c3ccccc3C2=O)CC1,0,0.0,
+O=C(NCC1CCCO1)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+O=C(NCC1CCCO1)C1CCCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)C1,0,0.0,
+O=C(NCC1CCCO1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,0,0.0,
+O=C(NCC1CCCO1)C1CCCN(c2ncccn2)C1,0,0.0,
+O=C(NCC1CCCO1)C1CCCN1C(=O)NC1CCCCC1,0,0.0,
+O=C(NCC1CCCO1)C1CCN(C(=O)c2ccc(Br)cc2)CC1,0,0.0,
+O=C(NCC1CCCO1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(NCC1CCCO1)C1CCN(CC2CCCCC2)CC1,0,0.0,
+O=C(NCC1CCCO1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(NCC1CCCO1)C1CCN(S(=O)(=O)N2CCCC2)CC1,0,0.0,
+O=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+O=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,0,0.0,
+O=C(NCC1CCCO1)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,0,0.0,
+O=C(NCC1CCCO1)C1c2ccccc2C(=O)N1C1CCCCCC1,0,0.0,
+O=C(NCC1CCCO1)C1c2ccccc2C(=O)N1C1CCCCCCC1,0,0.0,
+O=C(NCC1CCCO1)C1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2,0,0.0,
+O=C(NCC1CCCO1)NC1(C(F)(F)F)Oc2ccccc2O1,0,0.0,
+O=C(NCC1CCCO1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NCC1CCCO1)Nc1cccc(Cl)c1,0,0.0,
+O=C(NCC1CCCO1)[C@@H]1CSC2c3ccccc3C(=O)N21,0,0.0,
+O=C(NCC1CCCO1)c1c(O)c2c([nH]c1=O)CCCC2,1,100.0,0.0
+O=C(NCC1CCCO1)c1c(O)c2cccc3c2n(c1=O)CC3,0,0.0,
+O=C(NCC1CCCO1)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+O=C(NCC1CCCO1)c1c(O)c2ccccc2[nH]c1=O,0,0.0,
+O=C(NCC1CCCO1)c1cc(-c2ccccc2)on1,0,0.0,
+O=C(NCC1CCCO1)c1cc(-c2ccco2)nc2ccccc12,0,0.0,
+O=C(NCC1CCCO1)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12,0,0.0,
+O=C(NCC1CCCO1)c1cc2c(s1)CS(=O)(=O)C2,0,0.0,
+O=C(NCC1CCCO1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Br)cc1)N2,0,0.0,
+O=C(NCC1CCCO1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(F)cc1)N2,0,0.0,
+O=C(NCC1CCCO1)c1ccc(/C=N/O)nc1,0,0.0,
+O=C(NCC1CCCO1)c1ccc(C(=O)NCC2CCCO2)cc1,0,0.0,
+O=C(NCC1CCCO1)c1ccc(COCC(F)(F)C(F)F)cc1,0,0.0,
+O=C(NCC1CCCO1)c1ccc(COc2ccc(F)cc2)o1,0,0.0,
+O=C(NCC1CCCO1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1,0,0.0,
+O=C(NCC1CCCO1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,0,0.0,
+O=C(NCC1CCCO1)c1ccc(Cl)c(F)c1F,0,0.0,
+O=C(NCC1CCCO1)c1ccc(N2CCCCC2)nc1,0,0.0,
+O=C(NCC1CCCO1)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,0,0.0,
+O=C(NCC1CCCO1)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1,0,0.0,
+O=C(NCC1CCCO1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(NCC1CCCO1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1,0,0.0,
+O=C(NCC1CCCO1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,0,0.0,
+O=C(NCC1CCCO1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S+]2[O-],0,0.0,
+O=C(NCC1CCCO1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NCC1CCCO1)c1ccc2nc(N3CCCCC3)sc2c1,0,0.0,
+O=C(NCC1CCCO1)c1cccc(-n2cnnn2)c1,0,0.0,
+O=C(NCC1CCCO1)c1cccc(Br)c1,0,0.0,
+O=C(NCC1CCCO1)c1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,0,0.0,
+O=C(NCC1CCCO1)c1cccc(N2CCCC2=O)c1,0,0.0,
+O=C(NCC1CCCO1)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+O=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1,0,0.0,
+O=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccccc2)no1,0,0.0,
+O=C(NCC1CCCO1)c1ccccn1,0,0.0,
+O=C(NCC1CCCO1)c1cccnc1Nc1ccccc1F,0,0.0,
+O=C(NCC1CCCO1)c1cccs1,0,0.0,
+O=C(NCC1CCCO1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F,0,0.0,
+O=C(NCC1CCCO1)c1coc2nc3ccccc3nc12,0,0.0,
+O=C(NCC1CCCO1)c1csc2c1CCCC2,0,0.0,
+O=C(NCC1CCCO1)c1csc2c1CCCCC2,0,0.0,
+O=C(NCC1CCCO1)c1nc2c(nnn2Cc2ccc(F)cc2)c(=O)[nH]1,0,0.0,
+O=C(NCC1CCCO1)c1nn2c(c1Cl)NC(c1ccc(F)cc1)CC2C(F)(F)F,0,0.0,
+O=C(NCC1CCCO1)c1nn2cccnc2c1Cl,0,0.0,
+O=C(NCC1CCCO1)c1nnc(Cc2ccc(F)cc2)o1,0,0.0,
+O=C(NCC1CCCO1)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)N3CCCCC3)cc12,0,0.0,
+O=C(NCC1CCNCC1)c1ccncc1,0,0.0,
+O=C(NCC1CCS(=O)(=O)C1)NCC1CCS(=O)(=O)C1,0,0.0,
+O=C(NCC1CCS(=O)(=O)C1)Oc1ccccc1,0,0.0,
+O=C(NCC1COCCO1)C1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(NCC1COc2ccccc2O1)C1C2C=CC3(CN(Cc4ccccc4Cl)C(=O)C13)O2,0,0.0,
+O=C(NCC1COc2ccccc2O1)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1,0,0.0,
+O=C(NCC1COc2ccccc2O1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+O=C(NCC1COc2ccccc2O1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,0,0.0,
+O=C(NCC1COc2ccccc2O1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCC1COc2ccccc2O1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+O=C(NCC1COc2ccccc2O1)Nc1ccccc1F,0,0.0,
+O=C(NCC1COc2ccccc2O1)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0.0,
+O=C(NCC1COc2ccccc2O1)c1ccc(Cl)cc1,0,0.0,
+O=C(NCC1COc2ccccc2O1)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+O=C(NCC1COc2ccccc2O1)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+O=C(NCC1COc2ccccc2O1)c1ccccc1,0,0.0,
+O=C(NCC1COc2ccccc2O1)c1ccco1,0,0.0,
+O=C(NCC1COc2ccccc2O1)c1cn(Cc2ccc(F)cc2)nn1,0,0.0,
+O=C(NCC1OCCc2ccccc21)c1ccco1,0,0.0,
+O=C(NCC1c2ccccc2CCN1C(=O)CN1CCOCC1)C1CCCCC1,0,0.0,
+O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCCC2)C1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCCCC2)C1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2cccnc2)C1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCCN(c2nc3ccccc3o2)C1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,0,0.0,
+O=C(NCCC1=CCCCC1)C1CCN(c2nnc(-n3cccc3)s2)CC1,0,0.0,
+O=C(NCCC1=CCCCC1)NC1CCCCC1,0,0.0,
+O=C(NCCC1=CCCCC1)N[C@@H](Cc1ccccc1)C(=O)O,0,0.0,
+O=C(NCCC1=CCCCC1)c1cc2c(s1)CS(=O)(=O)C2,0,0.0,
+O=C(NCCC1=CCCCC1)c1ccc(=O)oc1,0,0.0,
+O=C(NCCC1=CCCCC1)c1ccc(Br)o1,0,0.0,
+O=C(NCCC1=CCCCC1)c1ccc(CN2CCOCC2)cc1,0,0.0,
+O=C(NCCC1=CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NCCC1=CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NCCC1=CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3,0,0.0,
+O=C(NCCC1=CCCCC1)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(NCCC1=CCCCC1)c1cnccn1,0,0.0,
+O=C(NCCC1=CCCCC1)c1cnsn1,0,0.0,
+O=C(NCCCC(=O)N1CCOCC1)c1cccnc1,0,0.0,
+O=C(NCCCCC(NC(=O)C1CCCCC1)C(=O)O)c1ccccc1,0,0.0,
+O=C(NCCCCCNC(=O)c1cccnc1)c1cccnc1,0,0.0,
+O=C(NCCCCCNC(=O)c1ccco1)c1ccco1,0,0.0,
+O=C(NCCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(NCCCCNC(=O)c1cccnc1)c1cccnc1,0,0.0,
+O=C(NCCCCNC(=O)c1ccco1)c1ccco1,0,0.0,
+O=C(NCCCCO)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCCO,0,0.0,
+O=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CC(=O)N(C2CCCC2)C1,1,100.0,1.0
+O=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CCC(=O)N1C1CCCC1,0,0.0,
+O=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(NCCCN1CCCC1)C1CCC(=O)N1C1CCCCC1,0,0.0,
+O=C(NCCCN1CCCC1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1,0,0.0,
+O=C(NCCCN1CCCC1)Nc1cccc2ccccc12,0,0.0,
+O=C(NCCCN1CCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,0,0.0,
+O=C(NCCCN1CCCC1)c1cccc(N2CCCC2=O)c1,0,0.0,
+O=C(NCCCN1CCCC1=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(NCCCN1CCCC1=O)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NCCCN1CCCC1=O)Nc1ccc(Cl)cc1,0,0.0,
+O=C(NCCCN1CCCC1=O)c1cc(=O)c2ccccc2o1,0,0.0,
+O=C(NCCCN1CCCC1=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+O=C(NCCCN1CCCC1=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1,0,0.0,
+O=C(NCCCN1CCCC1=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1,0,0.0,
+O=C(NCCCN1CCCC1=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2,0,0.0,
+O=C(NCCCN1CCCC1=O)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NCCCN1CCCC1=O)c1ccc2c(c1)ncn2C1CCCCC1,0,0.0,
+O=C(NCCCN1CCCC1=O)c1cccc(C(F)(F)F)c1,0,0.0,
+O=C(NCCCN1CCCC1=O)c1cccc(N2CCCC2=O)c1,0,0.0,
+O=C(NCCCN1CCCC1=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1,0,0.0,
+O=C(NCCCN1CCCC1=O)c1cccnc1,0,0.0,
+O=C(NCCCN1CCCC1=O)c1cccs1,0,0.0,
+O=C(NCCCN1CCCC1=O)c1cncc(Br)c1,0,0.0,
+O=C(NCCCN1CCCC1=O)c1nnc(Cc2c(F)cccc2Cl)o1,0,0.0,
+O=C(NCCCN1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(NCCCN1CCCCC1)C1CCC(=O)N1CCc1ccccc1,0,0.0,
+O=C(NCCCN1CCCCC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1,0,0.0,
+O=C(NCCCN1CCCCC1)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2,0,0.0,
+O=C(NCCCN1CCCCCC1)C1CC(=O)N(C2CCCC2)C1,1,100.0,1.0
+O=C(NCCCN1CCCCCC1)C1CC(=O)N(CCc2ccccc2)C1,0,0.0,
+O=C(NCCCN1CCCCCC1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1,0,0.0,
+O=C(NCCCN1CCCCCC1)c1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C(NCCCN1CCCCCC1)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2,0,0.0,
+O=C(NCCCN1CCN(C2CCCCC2)CC1)Nc1ccccc1C(F)(F)F,0,0.0,
+O=C(NCCCN1CCN(CCCNC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1,0,0.0,
+O=C(NCCCN1CCN(CCCNC(=O)c2ccccc2F)CC1)c1ccccc1F,0,0.0,
+O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCCC2)CC1,0,0.0,
+O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(c2nnc(-n3cccc3)s2)CC1,1,100.0,1.0
+O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1nnc(Cc2c(F)cccc2Cl)o1,0,0.0,
+O=C(NCCCN1CCN(Cc2ccccc2Cl)CC1)Nc1ccccc1,0,0.0,
+O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cccc(N2CCCC2=O)c1,0,0.0,
+O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C1CCC(=O)N1Cc1ccccc1Cl,1,100.0,0.0
+O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(N2CCCC2=O)c1,0,0.0,
+O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1nc(-c2ccncc2)no1,0,0.0,
+O=C(NCCCN1CCN(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F,0,0.0,
+O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCC(=O)N1C1CCCC1,0,0.0,
+O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCC(=O)N1C1CCCCC1,0,0.0,
+O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(NCCCN1CCN(c2ccccc2F)CC1)Nc1ccc(F)cc1,0,0.0,
+O=C(NCCCN1CCOCC1)C(C(=O)c1ccccc1)n1ccccc1=O,0,0.0,
+O=C(NCCCN1CCOCC1)C1(c2ccccc2)CCCC1,0,0.0,
+O=C(NCCCN1CCOCC1)C1(c2ccccc2)CCOCC1,0,0.0,
+O=C(NCCCN1CCOCC1)C1CC(=O)N(C2CCCCC2)C1,0,0.0,
+O=C(NCCCN1CCOCC1)C1CC(=O)N(CCc2ccccc2)C1,0,0.0,
+O=C(NCCCN1CCOCC1)C1CCC(=O)N1CCc1ccccc1,0,0.0,
+O=C(NCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NCCCN1CCOCC1)[C@@H]1CSC2c3ccccc3C(=O)N21,0,0.0,
+O=C(NCCCN1CCOCC1)c1c(F)cccc1F,0,0.0,
+O=C(NCCCN1CCOCC1)c1c(O)c2c([nH]c1=O)CCCC2,0,0.0,
+O=C(NCCCN1CCOCC1)c1c(O)c2cc(Br)cc(Br)c2[nH]c1=O,0,0.0,
+O=C(NCCCN1CCOCC1)c1c(O)c2ccccc2[nH]c1=O,0,0.0,
+O=C(NCCCN1CCOCC1)c1cc(-c2ccc(Br)cc2)on1,0,0.0,
+O=C(NCCCN1CCOCC1)c1cc(-c2ccc(Cl)cc2)on1,0,0.0,
+O=C(NCCCN1CCOCC1)c1cc(-c2ccc(F)cc2)on1,0,0.0,
+O=C(NCCCN1CCOCC1)c1cc(-c2ccc(O)cc2)on1,0,0.0,
+O=C(NCCCN1CCOCC1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12,0,0.0,
+O=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)on1,0,0.0,
+O=C(NCCCN1CCOCC1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(NCCCN1CCOCC1)c1cc2c(s1)CCCC2,0,0.0,
+O=C(NCCCN1CCOCC1)c1cc2c(s1)CSC2,0,0.0,
+O=C(NCCCN1CCOCC1)c1cc2cc(Br)ccc2oc1=O,0,0.0,
+O=C(NCCCN1CCOCC1)c1cc2cc(Cl)cc(Cl)c2oc1=O,0,0.0,
+O=C(NCCCN1CCOCC1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(NCCCN1CCOCC1)c1ccc(Br)cc1,0,0.0,
+O=C(NCCCN1CCOCC1)c1ccc(Br)s1,0,0.0,
+O=C(NCCCN1CCOCC1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1,0,0.0,
+O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccccc2Cl)o1,0,0.0,
+O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1,0,0.0,
+O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,0,0.0,
+O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1,0,0.0,
+O=C(NCCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(NCCCN1CCOCC1)c1ccccc1-c1ccccc1,0,0.0,
+O=C(NCCCN1CCOCC1)c1ccco1,0,0.0,
+O=C(NCCCN1CCOCC1)c1cccs1,0,0.0,
+O=C(NCCCN1CCOCC1)c1coc2ccccc2c1=O,0,0.0,
+O=C(NCCCN1CCOCC1)c1csc2c1CCCC2,0,0.0,
+O=C(NCCCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)N2CCCC2)CC1,0,0.0,
+O=C(NCCCN1CCc2ccccc2C1)C1CCN(c2nnc(-n3cccc3)s2)CC1,1,100.0,1.0
+O=C(NCCCN=C1NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(NCCCNC(=O)NC1CCCCC1)NC1CCCCC1,0,0.0,
+O=C(NCCCNC(=O)c1ccccn1)c1ccccn1,0,0.0,
+O=C(NCCCNC(=O)c1ccco1)c1ccco1,0,0.0,
+O=C(NCCCNC(=O)c1cccs1)c1cccs1,0,0.0,
+O=C(NCCCNC1CCCCC1)c1ccc(/C=N/O)nc1,0,0.0,
+O=C(NCCCNCCCNC(=O)c1ccccn1)c1ccccn1,0,0.0,
+O=C(NCCCNCc1ccccc1)/C(=N\O)c1ccccc1,0,0.0,
+O=C(NCCCNCc1ccccc1)c1ccncc1,0,0.0,
+O=C(NCCCO)c1ccc2[nH]c3ccccc3c2c1,0,0.0,
+O=C(NCCCO)c1nc2ccccc2s1,0,0.0,
+O=C(NCCCc1ccccc1)C1CCN(c2nnc(-n3cccc3)s2)CC1,0,0.0,
+O=C(NCCCc1ccccc1)c1ccc(Br)o1,0,0.0,
+O=C(NCCCc1ccccc1)c1ccccc1O,0,0.0,
+O=C(NCCCc1ccccc1)c1ccncc1,0,0.0,
+O=C(NCCCc1ccccc1)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(NCCCn1ccnc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(NCCCn1ccnc1)C(F)(F)C(F)(F)C(=O)NCCCn1ccnc1,0,0.0,
+O=C(NCCCn1ccnc1)C1CC(c2cccc(Br)c2)=NO1,0,0.0,
+O=C(NCCCn1ccnc1)C1c2ccccc2Oc2ccccc21,1,100.0,1.0
+O=C(NCCCn1ccnc1)NC(C(F)(F)F)C(F)(F)F,0,0.0,
+O=C(NCCCn1ccnc1)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+O=C(NCCCn1ccnc1)Nc1cccc(Cl)c1,0,0.0,
+O=C(NCCCn1ccnc1)c1cc(-c2ccc3c(c2)OCO3)on1,0,0.0,
+O=C(NCCCn1ccnc1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(NCCCn1ccnc1)c1cc(C2CC2)on1,0,0.0,
+O=C(NCCCn1ccnc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl,0,0.0,
+O=C(NCCCn1ccnc1)c1cc2c(s1)CCCCC2,0,0.0,
+O=C(NCCCn1ccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NCCCn1ccnc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1,0,0.0,
+O=C(NCCCn1ccnc1)c1cccnc1,0,0.0,
+O=C(NCCCn1ccnc1)c1ccncc1,0,0.0,
+O=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1,0,0.0,
+O=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccccc1,0,0.0,
+O=C(NCCCn1ccnc1)c1cn(Cc2ccc(F)cc2)nn1,0,0.0,
+O=C(NCCCn1ccnc1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F,0,0.0,
+O=C(NCCCn1ccnc1)c1csc2ccccc12,0,0.0,
+O=C(NCCCn1ccnc1)c1noc2c1CCCC2,0,0.0,
+O=C(NCCCn1ccnc1)c1noc2c1CCc1ccccc1-2,0,0.0,
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCC1,0,0.0,
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCOCC1,0,0.0,
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)NCc1ccccc1,0,0.0,
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc(Br)cc1,0,0.0,
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1,0,0.0,
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1O,0,0.0,
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccn1,0,0.0,
+O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccnc1,0,0.0,
+O=C(NCCN1C(=O)CCC1=O)c1ccncc1,0,0.0,
+O=C(NCCN1C(=O)CSC1=O)C1CC(=O)N(c2ccccc2)C1,0,0.0,
+O=C(NCCN1C(=O)CSC1=O)c1ccccc1,0,0.0,
+O=C(NCCN1CCC(Cc2ccccc2)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCCN1CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(NCCN1CCCC1)C1CC(=O)N(C2CCCCC2)C1,0,0.0,
+O=C(NCCN1CCCC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+O=C(NCCN1CCCC1)C1COc2ccccc2O1,0,0.0,
+O=C(NCCN1CCCC1)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12,0,0.0,
+O=C(NCCN1CCCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1,0,0.0,
+O=C(NCCN1CCCC1)c1ccc(Cn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1,0,0.0,
+O=C(NCCN1CCCC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1,0,0.0,
+O=C(NCCN1CCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S+]2[O-],1,100.0,0.0
+O=C(NCCN1CCCC1=O)Nc1ccccc1,0,0.0,
+O=C(NCCN1CCCCC1)/C(=N\O)c1ccccc1,0,0.0,
+O=C(NCCN1CCCCC1)Nc1ccc(F)c(Cl)c1,1,100.0,0.0
+O=C(NCCN1CCCCC1)c1c(O)c2ccccc2[nH]c1=O,0,0.0,
+O=C(NCCN1CCCCC1)c1cc2ccccc2[nH]1,0,0.0,
+O=C(NCCN1CCCCC1)c1ccc(=O)oc1,0,0.0,
+O=C(NCCN1CCCCC1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(NCCN1CCCCCC1)C1CC(=O)N(CCc2ccccc2)C1,0,0.0,
+O=C(NCCN1CCCCCC1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1,1,100.0,0.0
+O=C(NCCN1CCCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,1,100.0,0.0
+O=C(NCCN1CCCCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,1,100.0,1.0
+O=C(NCCN1CCCCCC1)c1ccc(N2CCCC2=O)cc1,1,100.0,
+O=C(NCCN1CCN(C(=O)NC2CCCCC2)CC1)NC1CCCCC1,0,0.0,
+O=C(NCCN1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccccc1,0,0.0,
+O=C(NCCN1CCN(C(=O)c2cc3ccccc3oc2=O)CC1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(NCCN1CCN(C(=O)c2cccs2)CC1)c1cccs1,1,100.0,0.0
+O=C(NCCN1CCN(Cc2ccccc2)CC1)C1CC(=O)N(C2CCCC2)C1,0,0.0,
+O=C(NCCN1CCN(Cc2ccccc2)CC1)C1c2ccccc2C(=O)N2CCc3ccccc3C12,0,0.0,
+O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1cccn2c(=O)c3ccccc3nc12,0,0.0,
+O=C(NCCN1CCN(c2ccccc2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,0,0.0,
+O=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+O=C(NCCN1CCN(c2ccccc2)CC1)c1cccc(Br)c1,0,0.0,
+O=C(NCCN1CCN(c2ccccc2)CC1)c1cccn2c(=O)c3cc(Cl)ccc3nc12,0,0.0,
+O=C(NCCN1CCN(c2ccccc2)CC1)c1cccn2c(=O)c3ccccc3nc12,0,0.0,
+O=C(NCCN1CCN(c2ccccc2F)CC1)C1CC(=O)N(C2CCCC2)C1,0,0.0,
+O=C(NCCN1CCN(c2ccccc2F)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCCN1CCN(c2ccccc2F)CC1)c1cccn2c(=O)c3ccccc3nc12,0,0.0,
+O=C(NCCN1CCNCC1)c1ccccn1,0,0.0,
+O=C(NCCN1CCOCC1)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,0,0.0,
+O=C(NCCN1CCOCC1)C1CCC(=O)N1C1CCCCC1,1,100.0,0.0
+O=C(NCCN1CCOCC1)C1CCC(=O)N1Cc1ccccc1Cl,0,0.0,
+O=C(NCCN1CCOCC1)C1CCN(Cc2ccccc2O)CC1,0,0.0,
+O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=C(NCCN1CCOCC1)C1CCN(c2nc3ccccc3o2)CC1,1,100.0,1.0
+O=C(NCCN1CCOCC1)N1CCOCC1,0,0.0,
+O=C(NCCN1CCOCC1)NC1(C(F)(F)F)Oc2ccc(Cl)cc2O1,0,0.0,
+O=C(NCCN1CCOCC1)NC1(C(F)(F)F)Oc2ccccc2O1,0,0.0,
+O=C(NCCN1CCOCC1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(NCCN1CCOCC1)Nc1ccc(Cl)cc1Cl,0,0.0,
+O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(NCCN1CCOCC1)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(NCCN1CCOCC1)c1cc(-c2ccc(Br)cc2)on1,0,0.0,
+O=C(NCCN1CCOCC1)c1cc(-c2ccc(Cl)cc2)on1,0,0.0,
+O=C(NCCN1CCOCC1)c1cc(-c2ccc(F)cc2)on1,0,0.0,
+O=C(NCCN1CCOCC1)c1cc(-c2ccccc2)on1,0,0.0,
+O=C(NCCN1CCOCC1)c1cc(-c2ccco2)on1,0,0.0,
+O=C(NCCN1CCOCC1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(NCCN1CCOCC1)c1cc(=O)[nH]c2ccc(Br)cc12,0,0.0,
+O=C(NCCN1CCOCC1)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl,0,0.0,
+O=C(NCCN1CCOCC1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1,0,0.0,
+O=C(NCCN1CCOCC1)c1cc2ccccc2o1,0,0.0,
+O=C(NCCN1CCOCC1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(F)cc1)N2,0,0.0,
+O=C(NCCN1CCOCC1)c1cc2sccc2n1Cc1ccc(Cl)cc1,1,100.0,1.0
+O=C(NCCN1CCOCC1)c1cc2sccc2n1Cc1ccc(F)cc1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2)cc1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccc(=O)oc1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2,1,100.0,1.0
+O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2,1,100.0,1.0
+O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2,0,0.0,
+O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2,1,100.0,1.0
+O=C(NCCN1CCOCC1)c1ccc2c(c1)ncn2C1CCCC1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccc2c(c1)ncn2C1CCCCC1,0,0.0,
+O=C(NCCN1CCOCC1)c1cccc(Cl)c1,0,0.0,
+O=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccccc1-c1ccccc1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccccc1Oc1ccccc1,0,0.0,
+O=C(NCCN1CCOCC1)c1cccs1,0,0.0,
+O=C(NCCN1CCOCC1)c1ccncc1,0,0.0,
+O=C(NCCN1CCOCC1)c1cn(CCc2ccccc2)nn1,0,0.0,
+O=C(NCCN1CCOCC1)c1csc2c1CCCC2,0,0.0,
+O=C(NCCN1CCOCC1)c1csc2c1CCCCC2,0,0.0,
+O=C(NCCN1CCOCC1)c1nn2c(c1Cl)NC(c1ccccc1)CC2C(F)(F)F,0,0.0,
+O=C(NCCN1CCOCC1)c1noc2c1CCc1ccccc1-2,0,0.0,
+O=C(NCCN1CCc2ccccc2C1)C1CC(=O)N(C2CCCC2)C1,0,0.0,
+O=C(NCCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+O=C(NCCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=C(NCCN1CCc2ccccc2C1)Nc1ccc(F)cc1,0,0.0,
+O=C(NCCN1Cc2ccccc2C1=O)c1cccs1,0,0.0,
+O=C(NCCN=C1NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(NCCN=C1NS(=O)(=O)c2ccccc21)c1ccc2nccnc2c1,0,0.0,
+O=C(NCCNC(=O)C(F)(F)F)c1ccncc1,0,0.0,
+O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1ccco1,0,0.0,
+O=C(NCCNC(=O)C1CC2CCC1C2)C1CC2CCC1C2,0,0.0,
+O=C(NCCNC(=O)c1ccc(Br)o1)c1ccc(Br)o1,0,0.0,
+O=C(NCCNC(=O)c1ccco1)c1cccc(F)c1,0,0.0,
+O=C(NCCNC(=O)c1cccs1)c1ccco1,0,0.0,
+O=C(NCCNCCO)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+O=C(NCCO)C(c1ccccc1)c1ccccc1,0,0.0,
+O=C(NCCO)C1(c2ccccc2)CCCC1,0,0.0,
+O=C(NCCO)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+O=C(NCCO)c1c(O)c2cccc3c2n(c1=O)CC3,0,0.0,
+O=C(NCCO)c1cc2ccccc2c(=O)s1,0,0.0,
+O=C(NCCO)c1cc2ccccc2cc1O,0,0.0,
+O=C(NCCO)c1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1,0,0.0,
+O=C(NCCO)c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C(NCCO)c1ccc2[nH]c3c(c2c1)CCCC3,0,0.0,
+O=C(NCCO)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,0,0.0,
+O=C(NCCO)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(NCCO)c1cccc2c1C(=O)c1ccccc1-2,0,0.0,
+O=C(NCCO)c1nc(NCCO)c2ccccc2n1,0,0.0,
+O=C(NCCO)c1scc2c1OCCO2,0,0.0,
+O=C(NCCOC(=O)C1COc2ccccc2O1)C1COc2ccccc2O1,0,0.0,
+O=C(NCCOC(=O)C1COc2ccccc2O1)c1cccnc1,0,0.0,
+O=C(NCCOC(=O)c1ccc(C(=O)OCCNC(=O)c2ccccc2)o1)c1ccccc1,0,0.0,
+O=C(NCCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccncc1,0,0.0,
+O=C(NCCOC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1,0,0.0,
+O=C(NCCOC(=O)c1cccs1)c1cccnc1,0,0.0,
+O=C(NCCOC(=O)c1ccncc1)c1ccccc1,0,0.0,
+O=C(NCCOCC(F)(F)C(F)F)c1cc(F)c(F)cc1Cl,0,0.0,
+O=C(NCCOCCOCCNC(=O)c1cccnc1)c1cccnc1,0,0.0,
+O=C(NCCOc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(F)cc2)C1,0,0.0,
+O=C(NCCOc1ccccc1)C1CCCN1C(=O)c1cccs1,0,0.0,
+O=C(NCCOc1ccccc1)c1cc2ccccc2o1,0,0.0,
+O=C(NCCOc1ccccc1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NCCOc1ccccc1)c1n[nH]c(=O)c2ccccc12,0,0.0,
+O=C(NCCOc1ccccc1)c1ncn[nH]1,0,0.0,
+O=C(NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1)Nc1ccccc1,0,0.0,
+O=C(NCC[S+]([O-])CCNC(=O)C(F)(F)F)C(F)(F)F,0,0.0,
+O=C(NCCSCc1c(F)cccc1Cl)c1ccco1,0,0.0,
+O=C(NCCSCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,0,0.0,
+O=C(NCCSCc1ccco1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(NCCSCc1ccco1)Nc1cccc(Cl)c1,0,0.0,
+O=C(NCCSCc1ccco1)Nc1ccccc1,0,0.0,
+O=C(NCCSCc1ccco1)c1ccc(CN2CCOCC2)cc1,0,0.0,
+O=C(NCCSc1c[nH]c2ccccc12)c1ccc(Br)o1,0,0.0,
+O=C(NCCSc1c[nH]c2ccccc12)c1ccco1,0,0.0,
+O=C(NCCSc1ccccc1)c1ccccc1,0,0.0,
+O=C(NCCSc1ccccc1)c1cccnc1,0,0.0,
+O=C(NCCSc1ccccc1)c1ccco1,0,0.0,
+O=C(NCCc1c[nH]c2ccccc12)C(F)(F)C(F)F,0,0.0,
+O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2nnc(N3CCCC3=O)s2)CC1,0,0.0,
+O=C(NCCc1c[nH]c2ccccc12)C1Cc2ccccc2CN1C(=O)c1ccco1,0,0.0,
+O=C(NCCc1c[nH]c2ccccc12)c1c(Cl)nc2sccn12,0,0.0,
+O=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1,0,0.0,
+O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cnnn2)cc1,0,0.0,
+O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0.0,
+O=C(NCCc1c[nH]c2ccccc12)c1cccnc1,0,0.0,
+O=C(NCCc1c[nH]c2ccccc12)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(NCCc1c[nH]c2ccccc12)c1cnc2sccn2c1=O,0,0.0,
+O=C(NCCc1ccc(Cl)cc1)C1CC(=O)N(C2CCCCC2)C1,0,0.0,
+O=C(NCCc1ccc(Cl)cc1)C1CCC(=O)N1C1CCCC1,0,0.0,
+O=C(NCCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1,0,0.0,
+O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCCC2)CC1,0,0.0,
+O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1,0,0.0,
+O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,0,0.0,
+O=C(NCCc1ccc(Cl)cc1)C1CCN(c2cnccn2)CC1,0,0.0,
+O=C(NCCc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(NCCc1ccc(Cl)cc1)c1nnc(Cc2ccc(Cl)cc2)o1,0,0.0,
+O=C(NCCc1ccc(F)cc1)N1CCOCC1,0,0.0,
+O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1,0,0.0,
+O=C(NCCc1ccc2c(c1)OCCO2)c1cc2ccccc2o1,1,100.0,
+O=C(NCCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(NCCc1cccc(Cl)c1)c1cccnc1,1,100.0,
+O=C(NCCc1cccc(F)c1)[C@@H]1CSC2c3ccccc3C(=O)N21,0,0.0,
+O=C(NCCc1ccccc1)/C(=N\O)c1ccccc1,0,0.0,
+O=C(NCCc1ccccc1)C(c1cccs1)N(C(=O)c1csnn1)C1CC1,0,0.0,
+O=C(NCCc1ccccc1)C1CC(=O)N(C2CCCCCC2)C1,0,0.0,
+O=C(NCCc1ccccc1)C1CC(c2ccccc2O)=NO1,0,0.0,
+O=C(NCCc1ccccc1)C1CCCN(C(=O)NC2CCCCC2)C1,0,0.0,
+O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,0,0.0,
+O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,0,0.0,
+O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccnc2)C1,0,0.0,
+O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccs2)C1,0,0.0,
+O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCCc1ccccc1)C1CCCN1C(=O)NCc1ccccc1,0,0.0,
+O=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccc(F)cc1,0,0.0,
+O=C(NCCc1ccccc1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1,0,0.0,
+O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCCC2)CC1,0,0.0,
+O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1,0,0.0,
+O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1,0,0.0,
+O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,0,0.0,
+O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccnc2)CC1,0,0.0,
+O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(NCCc1ccccc1)C1CCN(c2nc3ccccc3o2)CC1,0,0.0,
+O=C(NCCc1ccccc1)C1c2ccccc2C(=O)N1C1CC1,0,0.0,
+O=C(NCCc1ccccc1)NC1CCCCC1,0,0.0,
+O=C(NCCc1ccccc1)c1c(O)c2cccc3c2n(c1=O)CC3,0,0.0,
+O=C(NCCc1ccccc1)c1cc(-c2ccc3c(c2)OCO3)on1,0,0.0,
+O=C(NCCc1ccccc1)c1cc(-c2ccco2)on1,0,0.0,
+O=C(NCCc1ccccc1)c1cc2ncc(Br)cn2n1,0,0.0,
+O=C(NCCc1ccccc1)c1ccc(=O)oc1,0,0.0,
+O=C(NCCc1ccccc1)c1ccc(Br)o1,0,0.0,
+O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S+]2[O-],0,0.0,
+O=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)N1CCCC1,0,0.0,
+O=C(NCCc1ccccc1)c1cccnc1N1CCCCCC1,0,0.0,
+O=C(NCCc1ccccc1)c1ccnc(/C=N/O)c1,0,0.0,
+O=C(NCCc1ccccc1)c1ccncc1,0,0.0,
+O=C(NCCc1ccccc1)c1cnc2sccn2c1=O,0,0.0,
+O=C(NCCc1ccccc1)c1cnn2c(C(F)F)cc(C3CC3)nc12,0,0.0,
+O=C(NCCc1ccccc1)c1ncn[nH]1,0,0.0,
+O=C(NCCc1ccccc1)c1noc2c1CCCCC2,0,0.0,
+O=C(NCCc1ccccc1F)C1CCCN1S(=O)(=O)c1ccccc1,0,0.0,
+O=C(NCCc1ccccc1F)[C@@H]1CSC2c3ccccc3C(=O)N21,0,0.0,
+O=C(NCCc1ccccn1)C1CC(=O)N(Cc2ccccc2Cl)C1,0,0.0,
+O=C(NCCc1ccccn1)C1CCCN(S(=O)(=O)Cc2ccccc2)C1,0,0.0,
+O=C(NCCc1ccccn1)c1ccc(COc2ccccc2)o1,0,0.0,
+O=C(NCCc1ccccn1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+O=C(NCCc1ccccn1)c1n[nH]c(=O)c2ccccc12,0,0.0,
+O=C(NCCc1ccco1)c1nn(Cc2ccccc2)c(=O)c2ccccc12,0,0.0,
+O=C(NCCc1ccncc1)C(F)(F)F,0,0.0,
+O=C(NCCc1ccncc1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(NCCc1ccncc1)Nc1ccccc1,0,0.0,
+O=C(NCCc1ccncc1)Nc1ccccc1Cl,0,0.0,
+O=C(NCCc1ccncc1)c1ccccc1F,0,0.0,
+O=C(NCCc1cn2ccccc2n1)C1CCCCC1,0,0.0,
+O=C(NCCc1cn2ccccc2n1)c1ccc(Br)o1,0,0.0,
+O=C(NCCc1cn2ccccc2n1)c1ccccc1F,0,0.0,
+O=C(NCCc1cn2ccsc2n1)C1CCCCC1,0,0.0,
+O=C(NCCc1cn2ccsc2n1)c1cccs1,0,0.0,
+O=C(NCCc1csc(-c2ccccc2)n1)c1cccs1,0,0.0,
+O=C(NCCc1csc(-c2cccnc2)n1)c1ccc(Br)o1,0,0.0,
+O=C(NCCc1csc(-c2cccnc2)n1)c1ccco1,0,0.0,
+O=C(NCCc1csc(-c2cccnc2)n1)c1cccs1,0,0.0,
+O=C(NCCc1nc2ccccc2[nH]1)Nc1ccccc1,0,0.0,
+O=C(NCCc1nc2ccccc2[nH]1)c1ccc(F)cc1,0,0.0,
+O=C(NCCc1nc2ccccc2[nH]1)c1ccco1,0,0.0,
+O=C(NCCn1cc(SCC(=O)N2CCOCC2)c2ccccc21)c1ccccc1,0,0.0,
+O=C(NCCn1ccc2ccccc21)C1CCCCC1,0,0.0,
+O=C(NCCn1ccc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(NCCn1ccc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(NCCn1ccc2ccccc21)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NCCn1cccc1)c1cccc2ccccc12,0,0.0,
+O=C(NCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccn1,0,0.0,
+O=C(NCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1nccs1,0,0.0,
+O=C(NCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1nncs1,0,0.0,
+O=C(NCN1C(=O)C2C3C=CC(C3)C2C1=O)OC1CCCCC1,0,0.0,
+O=C(NCN1CCCCC1)c1cccnc1,0,0.0,
+O=C(NCN1CCCCC1)c1cnccn1,0,0.0,
+O=C(NCN1CCN(c2ccccc2F)CC1)c1ccccc1,0,0.0,
+O=C(NCN1CCN(c2ccccn2)CC1)c1cnccn1,0,0.0,
+O=C(NCN1CCc2ccccc2C1)c1ccccc1,0,0.0,
+O=C(NCN1CCc2ccccc2C1)c1cnccn1,0,0.0,
+O=C(NCS(=O)(=O)c1ccccc1)c1ccccc1,0,0.0,
+O=C(NCSC1=NCCS1)c1ccccc1,0,0.0,
+O=C(NC[P+](=O)O)OCc1ccccc1,0,0.0,
+O=C(NCc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NCc1ccc(Cl)c(Cl)c1)c1cccnc1,0,0.0,
+O=C(NCc1ccc(Cl)c(Cl)c1)c1ccco1,0,0.0,
+O=C(NCc1ccc(Cl)cc1)C1C2C=CC3(CN(Cc4cccnc4)C(=O)C13)O2,0,0.0,
+O=C(NCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccco2)on1,0,0.0,
+O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(NCc1ccc(Cl)cc1)c1cc2c(nc3sccn32)s1,0,0.0,
+O=C(NCc1ccc(Cl)cc1)c1ccc(COCC(F)(F)F)o1,0,0.0,
+O=C(NCc1ccc(Cl)cc1)c1cccnc1,0,0.0,
+O=C(NCc1ccc(Cl)cc1)c1noc2c1CCCC2,0,0.0,
+O=C(NCc1ccc(Cl)cc1)c1noc2c1CCCCC2,0,0.0,
+O=C(NCc1ccc(Cl)cc1Cl)c1ccccn1,0,0.0,
+O=C(NCc1ccc(F)cc1)C(c1cccs1)N(C(=O)c1csnn1)C1CC1,0,0.0,
+O=C(NCc1ccc(F)cc1)C1C2C=CC3(CN(Cc4cccnc4)C(=O)C13)O2,0,0.0,
+O=C(NCc1ccc(F)cc1)C1CC(=O)N(CCc2ccccc2)C1,0,0.0,
+O=C(NCc1ccc(F)cc1)C1CCC(=O)N1C1CCCCC1,0,0.0,
+O=C(NCc1ccc(F)cc1)C1CCC(=O)N1CCc1ccccc1,0,0.0,
+O=C(NCc1ccc(F)cc1)C1CCCN(C(=O)Nc2ccccc2)C1,0,0.0,
+O=C(NCc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1,0,0.0,
+O=C(NCc1ccc(F)cc1)C1CCCN1C(=O)NCc1ccccc1,0,0.0,
+O=C(NCc1ccc(F)cc1)C1CCN(C(=O)NCc2ccccc2)CC1,0,0.0,
+O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=C(NCc1ccc(F)cc1)N[C@@H](Cc1ccccc1)C(=O)O,0,0.0,
+O=C(NCc1ccc(F)cc1)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+O=C(NCc1ccc(F)cc1)c1cc(-c2ccco2)on1,1,100.0,0.0
+O=C(NCc1ccc(F)cc1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,0,0.0,
+O=C(NCc1ccc(F)cc1)c1cc2ccccn2n1,0,0.0,
+O=C(NCc1ccc(F)cc1)c1cc2n(n1)C(C(F)(F)F)CC(C1CC1)N2,0,0.0,
+O=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1,0,0.0,
+O=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1,0,0.0,
+O=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(NCc1ccc(F)cc1)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(NCc1ccc(F)cc1)c1cnc2sccn2c1=O,0,0.0,
+O=C(NCc1ccc(F)cc1)c1noc2c1CCCC2,0,0.0,
+O=C(NCc1ccc(F)cc1)c1noc2c1CCCCC2,0,0.0,
+O=C(NCc1ccc(F)cc1Cl)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+O=C(NCc1ccc(N2CCCC2=O)cc1)NC1CCCCC1,0,0.0,
+O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1cccc(Cl)c1,0,0.0,
+O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1ccccc1,0,0.0,
+O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(CCc2ccccc2)nn1,0,0.0,
+O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(Cc2ccccc2)nn1,0,0.0,
+O=C(NCc1ccc(N2CCCC2=O)cc1)c1cnccn1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C(c1ccco1)N(C(=O)c1csnn1)c1ccccc1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(C2CCCC2)C1,1,100.0,0.0
+O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(C2CCCCCC2)C1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(C2CCCCCCC2)C1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(CCc2ccccc2)C1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(c2ccc(O)cc2)C1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNS(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNc2c(N3CCCC3)c(=O)c2=O)CC1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccnc2)C1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccs2)C1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1ccc(F)cc1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1cccc(Cl)c1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1cccc(F)c1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1ccccc1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ncccn2)CC1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)Oc1ccccc1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cc(-n2cnnc2)ccc1Cl,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCCC2)ccc1F,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CS(=O)(=O)C2,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CSC2,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc3c(c1)OCO3)N2,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccc(Cl)cc2)o1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCOCC2)cc1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(COc2cccc(Cl)c2)o1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccc2snnc2c1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cccc(Cl)c1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cccc(F)c1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cccc(N2CCCC2=O)c1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(C1CCCCC1)C2,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccccn1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cccnc1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cccs1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1ccncc1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cnc2ccccn2c1=O,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1nn(-c2ccccc2)c(=O)c2ccccc12,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1nn2cccnc2c1Cl,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1nnc(Cc2ccc(Cl)cc2)o1,0,0.0,
+O=C(NCc1ccc2c(c1)OCO2)c1nnc(Cc2ccc(F)cc2)o1,0,0.0,
+O=C(NCc1cccc(C(F)(F)F)c1)C1CCCN(c2ncccn2)C1,0,0.0,
+O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2ncccn2)CC1,0,0.0,
+O=C(NCc1cccc(CNC(=O)c2ccco2)c1)c1ccco1,0,0.0,
+O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NCc1cccc(Cl)c1)c1cccnc1,0,0.0,
+O=C(NCc1cccc(Cl)c1)c1ccco1,0,0.0,
+O=C(NCc1cccc(Cl)c1)c1cnccn1,0,0.0,
+O=C(NCc1cccc(F)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(NCc1cccc(F)c1)c1noc2c1CCCC2,0,0.0,
+O=C(NCc1ccccc1)/C(=N\O)c1ccccc1,0,0.0,
+O=C(NCc1ccccc1)C(c1cccnc1)N(Cc1ccco1)C(=O)c1ccccn1,0,0.0,
+O=C(NCc1ccccc1)C(c1cccs1)N(C(=O)c1csnn1)C1CC1,0,0.0,
+O=C(NCc1ccccc1)C1C(=O)N(Cc2ccccc2)C(=O)C1C1(O)CCCC1,0,0.0,
+O=C(NCc1ccccc1)C1C2C=CC3(CN(Cc4cccnc4)C(=O)C13)O2,0,0.0,
+O=C(NCc1ccccc1)C1CC2CCCC(C1)C2=O,0,0.0,
+O=C(NCc1ccccc1)C1CCCN(C(=O)Nc2ccccc2)C1,0,0.0,
+O=C(NCc1ccccc1)C1CCCN(S(=O)(=O)c2cccnc2)C1,0,0.0,
+O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,0,0.0,
+O=C(NCc1ccccc1)C1CCN(C(=O)NCc2ccccc2)CC1,0,0.0,
+O=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCCCCC2)CC1,0,0.0,
+O=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+O=C(NCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)CC1CCCO1,0,0.0,
+O=C(NCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)CC1CCCO1,0,0.0,
+O=C(NCc1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1,0,0.0,
+O=C(NCc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,0,0.0,
+O=C(NCc1ccccc1)N1CCC(n2cnc3cc(F)ccc32)CC1,0,0.0,
+O=C(NCc1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+O=C(NCc1ccccc1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(NCc1ccccc1)N1CCn2c(nc3ccccc32)C1,0,0.0,
+O=C(NCc1ccccc1)NC(=O)c1ccccc1,0,0.0,
+O=C(NCc1ccccc1)NC(=O)c1ccncc1,0,0.0,
+O=C(NCc1ccccc1)NC1(C(=O)N2CCCC2)CCCCC1,0,0.0,
+O=C(NCc1ccccc1)NC1(C(=O)N2CCN(c3ccccc3)CC2)CCCCC1,0,0.0,
+O=C(NCc1ccccc1)NC1(C(=O)N2CCN(c3ncccn3)CC2)CCCCC1,0,0.0,
+O=C(NCc1ccccc1)NC1(C(=O)N2CCOCC2)CCCCC1,0,0.0,
+O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc3c(c2)OCCO3)CCCCC1,0,0.0,
+O=C(NCc1ccccc1)NC1CC2CCC(C1)N2Cc1ccco1,0,0.0,
+O=C(NCc1ccccc1)NC1CCCCC1,0,0.0,
+O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1Cl,0,0.0,
+O=C(NCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,0,0.0,
+O=C(NCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O,0,0.0,
+O=C(NCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(NCc1ccccc1)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+O=C(NCc1ccccc1)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2c1=O,0,0.0,
+O=C(NCc1ccccc1)c1cc(-c2cccc(O)c2)on1,0,0.0,
+O=C(NCc1ccccc1)c1cc(-c2ccco2)on1,0,0.0,
+O=C(NCc1ccccc1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(NCc1ccccc1)c1cc(-n2cnnc2)ccc1Cl,0,0.0,
+O=C(NCc1ccccc1)c1cc(=O)nc2sc(-c3ccccc3)nn12,0,0.0,
+O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F,0,0.0,
+O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,0,0.0,
+O=C(NCc1ccccc1)c1ccc(-c2ccccc2F)o1,0,0.0,
+O=C(NCc1ccccc1)c1ccc(/C=N/O)nc1,0,0.0,
+O=C(NCc1ccccc1)c1ccc(=O)[nH]n1,0,0.0,
+O=C(NCc1ccccc1)c1ccc(COCC(F)(F)F)o1,0,0.0,
+O=C(NCc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NCc1ccccc1)c1ccc(OC2CSC2)cc1,0,0.0,
+O=C(NCc1ccccc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+O=C(NCc1ccccc1)c1cccc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1,0,0.0,
+O=C(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NCc1ccccc1)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(NCc1ccccc1)c1cnsn1,0,0.0,
+O=C(NCc1ccccc1)c1n[nH]nc1-c1ccccc1O,0,0.0,
+O=C(NCc1ccccc1)c1noc2c1CCCC2,0,0.0,
+O=C(NCc1ccccc1)c1noc2c1CCCCC2,0,0.0,
+O=C(NCc1ccccc1Br)c1ccco1,0,0.0,
+O=C(NCc1ccccc1Cl)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2sccc2-n2cccc2)CC1,0,0.0,
+O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCCCC2)CC1,0,0.0,
+O=C(NCc1ccccc1Cl)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(NCc1ccccc1Cl)c1cnn2cccnc12,0,0.0,
+O=C(NCc1ccccc1F)C1CCCN(C(=O)NC2CCCCC2)C1,0,0.0,
+O=C(NCc1ccccc1F)C1CCCN1C(=O)NCc1ccccc1,0,0.0,
+O=C(NCc1ccccc1F)C1CCN(C(=O)NCc2ccccc2)CC1,0,0.0,
+O=C(NCc1ccccn1)/C(=N/O)c1ccccc1,0,0.0,
+O=C(NCc1ccccn1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O,0,0.0,
+O=C(NCc1ccccn1)C(F)(F)C(F)(F)C(=O)NCc1ccccn1,0,0.0,
+O=C(NCc1ccccn1)C1CC(=O)N(C2CCCC2)C1,0,0.0,
+O=C(NCc1ccccn1)C1CCC(=O)N1C1CCCC1,0,0.0,
+O=C(NCc1ccccn1)C1CCCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)C1,0,0.0,
+O=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1,0,0.0,
+O=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,0,0.0,
+O=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccccc2)C1,0,0.0,
+O=C(NCc1ccccn1)C1CCN(S(=O)(=O)N2CCCC2)CC1,0,0.0,
+O=C(NCc1ccccn1)C1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,0,0.0,
+O=C(NCc1ccccn1)C1COc2ccccc2O1,0,0.0,
+O=C(NCc1ccccn1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NCc1ccccn1)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+O=C(NCc1ccccn1)Nc1ccc(F)cc1,0,0.0,
+O=C(NCc1ccccn1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(NCc1ccccn1)Nc1cccc(Cl)c1,0,0.0,
+O=C(NCc1ccccn1)c1c(Cl)cccc1Cl,0,0.0,
+O=C(NCc1ccccn1)c1c(O)c2c([nH]c1=O)CCCC2,0,0.0,
+O=C(NCc1ccccn1)c1c(O)c2cccc3c2n(c1=O)CC3,0,0.0,
+O=C(NCc1ccccn1)c1cc(-c2ccccc2)on1,0,0.0,
+O=C(NCc1ccccn1)c1cc(-n2cnnc2)ccc1Cl,0,0.0,
+O=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl,0,0.0,
+O=C(NCc1ccccn1)c1cc2cc(Br)ccc2oc1=O,0,0.0,
+O=C(NCc1ccccn1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(NCc1ccccn1)c1cc2ccccn2n1,0,0.0,
+O=C(NCc1ccccn1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2,0,0.0,
+O=C(NCc1ccccn1)c1ccc(/C=N/O)nc1,0,0.0,
+O=C(NCc1ccccn1)c1ccc(=O)oc1,0,0.0,
+O=C(NCc1ccccn1)c1ccc(Br)s1,0,0.0,
+O=C(NCc1ccccn1)c1ccc(COc2ccc(Cl)cc2)o1,0,0.0,
+O=C(NCc1ccccn1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1,0,0.0,
+O=C(NCc1ccccn1)c1ccc(Cl)cc1Cl,0,0.0,
+O=C(NCc1ccccn1)c1ccc(Cn2cc(Br)cn2)o1,1,100.0,
+O=C(NCc1ccccn1)c1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C(NCc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+O=C(NCc1ccccn1)c1ccc2ccccc2n1,0,0.0,
+O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,0.0,
+O=C(NCc1ccccn1)c1ccccc1Cl,0,0.0,
+O=C(NCc1ccccn1)c1cccs1,0,0.0,
+O=C(NCc1ccccn1)c1cn(CCc2ccccc2)nn1,0,0.0,
+O=C(NCc1ccccn1)c1cn(Cc2ccccc2)nn1,0,0.0,
+O=C(NCc1ccccn1)c1cnc2sccn2c1=O,0,0.0,
+O=C(NCc1ccccn1)c1coc(=O)c(Br)c1,0,0.0,
+O=C(NCc1ccccn1)c1n[nH]c2ccccc12,0,0.0,
+O=C(NCc1ccccn1)c1nnc(Cc2ccc(Cl)cc2)o1,0,0.0,
+O=C(NCc1cccnc1)/C(=N\O)c1ccccc1,0,0.0,
+O=C(NCc1cccnc1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O,0,0.0,
+O=C(NCc1cccnc1)C1CC(=O)N(C2CCCCC2)C1,0,0.0,
+O=C(NCc1cccnc1)C1CC(=O)N(c2ccc(Cl)cc2)C1,0,0.0,
+O=C(NCc1cccnc1)C1CC(=O)N(c2ccc(F)cc2)C1,0,0.0,
+O=C(NCc1cccnc1)C1CC(c2ccc(F)cc2)=NO1,0,0.0,
+O=C(NCc1cccnc1)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+O=C(NCc1cccnc1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1,0,0.0,
+O=C(NCc1cccnc1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1,0,0.0,
+O=C(NCc1cccnc1)C1CCCN(S(=O)(=O)c2ccccc2)C1,0,0.0,
+O=C(NCc1cccnc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1,0,0.0,
+O=C(NCc1cccnc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+O=C(NCc1cccnc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccnc2)CC1,0,0.0,
+O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCC1,0,0.0,
+O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCCCC1,0,0.0,
+O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCCCCC1,0,0.0,
+O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1Cc1ccco1,0,0.0,
+O=C(NCc1cccnc1)NC(C(F)(F)F)C(F)(F)F,0,0.0,
+O=C(NCc1cccnc1)NC1(C(F)(F)F)Oc2ccc(Cl)cc2O1,1,100.0,1.0
+O=C(NCc1cccnc1)NC1(C(F)(F)F)Oc2ccccc2O1,0,0.0,
+O=C(NCc1cccnc1)NC1(c2ccccc2)CC1,0,0.0,
+O=C(NCc1cccnc1)NC1CCCCC1,0,0.0,
+O=C(NCc1cccnc1)NC1CCCN1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+O=C(NCc1cccnc1)Nc1ccc(F)cc1F,0,0.0,
+O=C(NCc1cccnc1)Nc1cccc(NC(=O)NCc2cccnc2)c1,0,0.0,
+O=C(NCc1cccnc1)c1c[nH]c2cc3c(cc2c1=O)OCCO3,0,0.0,
+O=C(NCc1cccnc1)c1cc(-c2ccccc2)on1,0,0.0,
+O=C(NCc1cccnc1)c1cc(-c2ccco2)on1,0,0.0,
+O=C(NCc1cccnc1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl,0,0.0,
+O=C(NCc1cccnc1)c1ccc(=O)oc1,0,0.0,
+O=C(NCc1cccnc1)c1ccc(COc2ccc3c(c2)CCC3)o1,0,0.0,
+O=C(NCc1cccnc1)c1ccc(COc2ccccc2Br)o1,0,0.0,
+O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1,0,0.0,
+O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,0,0.0,
+O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1,0,0.0,
+O=C(NCc1cccnc1)c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C(NCc1cccnc1)c1ccc2c(=O)n(CCCN3CCCC3=O)c(=S)[nH]c2c1,0,0.0,
+O=C(NCc1cccnc1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NCc1cccnc1)c1cccc(C(F)(F)F)c1,0,0.0,
+O=C(NCc1cccnc1)c1cccc(Cl)c1,0,0.0,
+O=C(NCc1cccnc1)c1cccc(F)c1,0,0.0,
+O=C(NCc1cccnc1)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+O=C(NCc1cccnc1)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(NCc1cccnc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NCc1cccnc1)c1ccccc1Br,0,0.0,
+O=C(NCc1cccnc1)c1ccccn1,0,0.0,
+O=C(NCc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1,0,0.0,
+O=C(NCc1cccnc1)c1cn(CCc2ccccc2)nn1,0,0.0,
+O=C(NCc1cccnc1)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(NCc1cccnc1)c1cnc2sccn2c1=O,0,0.0,
+O=C(NCc1cccnc1)c1cnn2ccccc12,0,0.0,
+O=C(NCc1cccnc1)c1nnc(Cc2ccc(F)cc2)o1,0,0.0,
+O=C(NCc1cccnc1)c1noc2c1CCCC2,0,0.0,
+O=C(NCc1cccnc1)c1noc2c1CCCCC2,0,0.0,
+O=C(NCc1ccco1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O,0,0.0,
+O=C(NCc1ccco1)C(C(=O)c1ccccc1)n1ccccc1=O,0,0.0,
+O=C(NCc1ccco1)C(Cc1ccccc1)N1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+O=C(NCc1ccco1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(NCc1ccco1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12,0,0.0,
+O=C(NCc1ccco1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,0,0.0,
+O=C(NCc1ccco1)C(c1ccc(F)cc1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,0,0.0,
+O=C(NCc1ccco1)C(c1ccc(F)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21,0,0.0,
+O=C(NCc1ccco1)C(c1ccccc1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,0,0.0,
+O=C(NCc1ccco1)C(c1ccccc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21,0,0.0,
+O=C(NCc1ccco1)C(c1ccccc1F)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,0,0.0,
+O=C(NCc1ccco1)C(c1ccccc1F)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21,0,0.0,
+O=C(NCc1ccco1)C(c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1,0,0.0,
+O=C(NCc1ccco1)C(c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1,0,0.0,
+O=C(NCc1ccco1)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2,0,0.0,
+O=C(NCc1ccco1)C(c1ccco1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21,0,0.0,
+O=C(NCc1ccco1)C(c1cccs1)N(C(=O)C1COc2ccccc2O1)c1cccc(O)c1,0,0.0,
+O=C(NCc1ccco1)C(c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1,0,0.0,
+O=C(NCc1ccco1)C(c1cccs1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21,0,0.0,
+O=C(NCc1ccco1)C(c1ccncc1)N(CCC1=CCCCC1)C(=O)Cn1nnc2ccccc21,0,0.0,
+O=C(NCc1ccco1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(NCc1ccco1)C1(c2ccccc2)CCCC1,0,0.0,
+O=C(NCc1ccco1)C12CC3CC(C1)CC(C(=O)NCc1ccco1)(C3)C2,0,0.0,
+O=C(NCc1ccco1)C1CC(=O)N(CCc2ccccc2)C1,0,0.0,
+O=C(NCc1ccco1)C1CC(=O)N(c2ccc(F)cc2)C1,0,0.0,
+O=C(NCc1ccco1)C1CC(=O)N(c2ccc(O)cc2)C1,0,0.0,
+O=C(NCc1ccco1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCC(N2C(=O)c3ccccc3C2=O)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1,0,0.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,0,0.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,0,0.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCc1ccco1)C1CCCN1C(=O)NCc1ccccc1,0,0.0,
+O=C(NCc1ccco1)C1CCN(C(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCN(c2nnc(-n3cccc3)s2)CC1,0,0.0,
+O=C(NCc1ccco1)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,0,0.0,
+O=C(NCc1ccco1)C1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F,0,0.0,
+O=C(NCc1ccco1)C1OCCc2ccccc21,0,0.0,
+O=C(NCc1ccco1)C1c2ccccc2Oc2ccccc21,1,100.0,0.0
+O=C(NCc1ccco1)N1c2ccccc2Sc2ccccc21,0,0.0,
+O=C(NCc1ccco1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NCc1ccco1)NCC(F)(F)F,0,0.0,
+O=C(NCc1ccco1)Nc1ccc(Br)cc1,0,0.0,
+O=C(NCc1ccco1)Nc1ccc2nsnc2c1,0,0.0,
+O=C(NCc1ccco1)Nc1ccc2snnc2c1,0,0.0,
+O=C(NCc1ccco1)Nc1ccccc1Cl,0,0.0,
+O=C(NCc1ccco1)Nc1cccs1,0,0.0,
+O=C(NCc1ccco1)Oc1ccccc1,0,0.0,
+O=C(NCc1ccco1)[C@@H]1CSC2c3ccccc3C(=O)N21,0,0.0,
+O=C(NCc1ccco1)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+O=C(NCc1ccco1)c1c2c(nc3ccccc13)CCC2,0,0.0,
+O=C(NCc1ccco1)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0.0,
+O=C(NCc1ccco1)c1cc(-c2ccc(Cl)cc2)on1,0,0.0,
+O=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)on1,0,0.0,
+O=C(NCc1ccco1)c1cc(-c2ccc3c(c2)OCO3)on1,0,0.0,
+O=C(NCc1ccco1)c1cc(-c2cccc(Cl)c2)on1,0,0.0,
+O=C(NCc1ccco1)c1cc(-c2ccccc2)c(N2CCOCC2)s1,0,0.0,
+O=C(NCc1ccco1)c1cc(-c2ccccc2)on1,0,0.0,
+O=C(NCc1ccco1)c1cc(-c2ccccn2)nc2ccccc12,0,0.0,
+O=C(NCc1ccco1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12,0,0.0,
+O=C(NCc1ccco1)c1cc(-c2cccnc2)nc2ccccc12,0,0.0,
+O=C(NCc1ccco1)c1cc(-c2ccco2)on1,0,0.0,
+O=C(NCc1ccco1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(NCc1ccco1)c1cc(-c2ccncc2)nc2ccccc12,0,0.0,
+O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl,0,0.0,
+O=C(NCc1ccco1)c1cc2c(s1)CCCCC2,0,0.0,
+O=C(NCc1ccco1)c1cc2c(s1)CSC2,0,0.0,
+O=C(NCc1ccco1)c1cc2cc3ccc(Cl)cc3nc2o1,1,100.0,0.0
+O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=O,0,0.0,
+O=C(NCc1ccco1)c1cc2ccccc2c(=O)o1,0,0.0,
+O=C(NCc1ccco1)c1cc2ccccc2o1,0,0.0,
+O=C(NCc1ccco1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Br)cc1)N2,0,0.0,
+O=C(NCc1ccco1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Cl)c(Cl)c1)N2,0,0.0,
+O=C(NCc1ccco1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(F)cc1)N2,0,0.0,
+O=C(NCc1ccco1)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(NCc1ccco1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(NCc1ccco1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(NCc1ccco1)c1cc2sccc2n1Cc1ccc(F)cc1,0,0.0,
+O=C(NCc1ccco1)c1cc2sccc2n1Cc1ccccc1,0,0.0,
+O=C(NCc1ccco1)c1ccc(=O)[nH]n1,0,0.0,
+O=C(NCc1ccco1)c1ccc(=O)oc1,0,0.0,
+O=C(NCc1ccco1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(NCc1ccco1)c1ccc(Br)s1,0,0.0,
+O=C(NCc1ccco1)c1ccc(CN2CCOCC2)cc1,0,0.0,
+O=C(NCc1ccco1)c1ccc(COCC(F)(F)C(F)F)cc1,0,0.0,
+O=C(NCc1ccco1)c1ccc(COCC(F)(F)F)cc1,0,0.0,
+O=C(NCc1ccco1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1,0,0.0,
+O=C(NCc1ccco1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1,0,0.0,
+O=C(NCc1ccco1)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1,0,0.0,
+O=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NCc1ccco1)c1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C(NCc1ccco1)c1ccc(NC(=O)C2COc3ccccc3O2)cc1,0,0.0,
+O=C(NCc1ccco1)c1ccc(OCC2CCCO2)cc1,0,0.0,
+O=C(NCc1ccco1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,0,0.0,
+O=C(NCc1ccco1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+O=C(NCc1ccco1)c1ccc2c(=O)n(CC3CCCO3)c(=S)[nH]c2c1,0,0.0,
+O=C(NCc1ccco1)c1ccc2c(=O)n(CCC3=CCCCC3)c(=O)[nH]c2c1,0,0.0,
+O=C(NCc1ccco1)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCCC3)nc2c1,0,0.0,
+O=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O,0,0.0,
+O=C(NCc1ccco1)c1ccc2c(c1)C(=O)c1ccccc1-2,0,0.0,
+O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S+]2[O-],0,0.0,
+O=C(NCc1ccco1)c1ccc2ccccc2c1,0,0.0,
+O=C(NCc1ccco1)c1ccc2nc3sc4c(c3c(=O)n2c1)CCCC4,0,0.0,
+O=C(NCc1ccco1)c1ccc2snnc2c1,0,0.0,
+O=C(NCc1ccco1)c1cccc(-c2nnc(-c3ccccc3)o2)c1,0,0.0,
+O=C(NCc1ccco1)c1cccc(F)c1,0,0.0,
+O=C(NCc1ccco1)c1cccc(NC(=O)c2ccccc2)c1,0,0.0,
+O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NCc1ccco1)c1cccc2ccccc12,0,0.0,
+O=C(NCc1ccco1)c1ccccc1Br,0,0.0,
+O=C(NCc1ccco1)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1,0,0.0,
+O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1cccs1,0,0.0,
+O=C(NCc1ccco1)c1ccccc1Nc1ccc(F)cc1,0,0.0,
+O=C(NCc1ccco1)c1cccn2c(=O)c3cc(Br)ccc3nc12,0,0.0,
+O=C(NCc1ccco1)c1cccn2c(=O)c3sccc3nc12,1,100.0,
+O=C(NCc1ccco1)c1cccnc1-c1nc2ccccc2s1,0,0.0,
+O=C(NCc1ccco1)c1cccs1,0,0.0,
+O=C(NCc1ccco1)c1cnc2ccccn2c1=O,0,0.0,
+O=C(NCc1ccco1)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(NCc1ccco1)c1cnccn1,0,0.0,
+O=C(NCc1ccco1)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12,0,0.0,
+O=C(NCc1ccco1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,0,0.0,
+O=C(NCc1ccco1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12,0,0.0,
+O=C(NCc1ccco1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12,0,0.0,
+O=C(NCc1ccco1)c1cnn2c1NC(c1ccc(Br)cc1)CC2C(F)(F)F,0,0.0,
+O=C(NCc1ccco1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F,0,0.0,
+O=C(NCc1ccco1)c1csc(Nc2ccccc2Cl)n1,0,0.0,
+O=C(NCc1ccco1)c1csc2c1CCCCC2,0,0.0,
+O=C(NCc1ccco1)c1nc(-c2ccccc2)n(-c2ccccc2)n1,0,0.0,
+O=C(NCc1ccco1)c1nc2ccccc2s1,0,0.0,
+O=C(NCc1ccco1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(NCc1ccco1)c1nc2ncccn2n1,0,0.0,
+O=C(NCc1ccco1)c1nn(-c2ccccc2)c(=O)c2ccccc12,0,0.0,
+O=C(NCc1ccco1)c1nnc(Cc2ccc(F)cc2)o1,0,0.0,
+O=C(NCc1ccco1)c1noc2c1CCCC2,0,0.0,
+O=C(NCc1ccco1)c1noc2c1CCCCC2,0,0.0,
+O=C(NCc1ccco1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12,0,0.0,
+O=C(NCc1ccco1)c1sc2cccc(F)c2c1Cl,0,0.0,
+O=C(NCc1ccco1)c1scc2c1OCCO2,0,0.0,
+O=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1,0,0.0,
+O=C(NCc1cccs1)C(Cc1ccccc1)n1cccc1,0,0.0,
+O=C(NCc1cccs1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,0,0.0,
+O=C(NCc1cccs1)C1CC(=O)N(C2CCCC2)C1,0,0.0,
+O=C(NCc1cccs1)C1CC(=O)N(c2ccc(F)cc2)C1,0,0.0,
+O=C(NCc1cccs1)C1CC(=O)N(c2ccccc2)C1,0,0.0,
+O=C(NCc1cccs1)C1CC(c2ccccc2O)=NO1,0,0.0,
+O=C(NCc1cccs1)C1CCC(=O)N1C1CCCCC1,0,0.0,
+O=C(NCc1cccs1)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+O=C(NCc1cccs1)C1CCC(CNS(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1,0,0.0,
+O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1,0,0.0,
+O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCc1cccs1)C1CCCN(c2nc3ccccc3o2)C1,0,0.0,
+O=C(NCc1cccs1)C1CCCN(c2ncccn2)C1,0,0.0,
+O=C(NCc1cccs1)C1CCCN1C(=O)NC1CCCCC1,0,0.0,
+O=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccccc1,0,0.0,
+O=C(NCc1cccs1)C1CCCN1S(=O)(=O)c1ccccc1F,0,0.0,
+O=C(NCc1cccs1)C1CCN(S(=O)(=O)N2CCCC2)CC1,0,0.0,
+O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,0,0.0,
+O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(NCc1cccs1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1,0,0.0,
+O=C(NCc1cccs1)C1CCN(c2nc3ccccc3o2)CC1,0,0.0,
+O=C(NCc1cccs1)C1CCN(c2nccs2)CC1,0,0.0,
+O=C(NCc1cccs1)NC1CCCCC1,0,0.0,
+O=C(NCc1cccs1)N[C@@H](Cc1ccccc1)C(=O)O,0,0.0,
+O=C(NCc1cccs1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(NCc1cccs1)Nc1cccs1,0,0.0,
+O=C(NCc1cccs1)[C@@H]1CSC2c3ccccc3C(=O)N21,0,0.0,
+O=C(NCc1cccs1)c1cc(-c2cccc(Cl)c2)on1,0,0.0,
+O=C(NCc1cccs1)c1cc(-c2ccccc2)on1,0,0.0,
+O=C(NCc1cccs1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(NCc1cccs1)c1cc2c(s1)-c1ccccc1OC2,0,0.0,
+O=C(NCc1cccs1)c1cc2c(s1)CCCC2,0,0.0,
+O=C(NCc1cccs1)c1cc2c(s1)CS(=O)(=O)C2,0,0.0,
+O=C(NCc1cccs1)c1cc2ccccc2o1,0,0.0,
+O=C(NCc1cccs1)c1ccc(Cl)s1,0,0.0,
+O=C(NCc1cccs1)c1ccc(N2CCCCC2)nc1,0,0.0,
+O=C(NCc1cccs1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(NCc1cccs1)c1ccc2c(c1)ncn2C1CCCC1,0,0.0,
+O=C(NCc1cccs1)c1cccc(N2CCCC2=O)c1,0,0.0,
+O=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(NCc1cccs1)c1ccccc1C(=O)NCc1cccs1,0,0.0,
+O=C(NCc1cccs1)c1ccccc1F,0,0.0,
+O=C(NCc1cccs1)c1cccnc1C(=O)O,0,0.0,
+O=C(NCc1cccs1)c1ccncc1,0,0.0,
+O=C(NCc1cccs1)c1cnc2ccccn2c1=O,0,0.0,
+O=C(NCc1cccs1)c1cnc2sccn2c1=O,0,0.0,
+O=C(NCc1cccs1)c1cnn2cccnc12,0,0.0,
+O=C(NCc1cccs1)c1csc2c1CCCCC2,0,0.0,
+O=C(NCc1cccs1)c1csc2ccccc12,0,0.0,
+O=C(NCc1cccs1)c1nc2ncccn2n1,0,0.0,
+O=C(NCc1cccs1)c1nn2cccnc2c1Cl,0,0.0,
+O=C(NCc1cccs1)c1noc2c1CCCC2,0,0.0,
+O=C(NCc1cccs1)c1noc2c1CCCCC2,0,0.0,
+O=C(NCc1ccncc1)/C(=N/O)c1ccccc1,0,0.0,
+O=C(NCc1ccncc1)C(F)(F)C(F)(F)C(=O)NCc1ccncc1,0,0.0,
+O=C(NCc1ccncc1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NCc1ccncc1)C1CCCN(S(=O)(=O)Cc2ccccc2)C1,0,0.0,
+O=C(NCc1ccncc1)Nc1ccc(F)cc1,0,0.0,
+O=C(NCc1ccncc1)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(NCc1ccncc1)c1ccc(Br)cc1,0,0.0,
+O=C(NCc1ccncc1)c1ccc(Br)o1,0,0.0,
+O=C(NCc1ccncc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(NCc1ccncc1)c1cccc(Cn2cc(Br)cn2)c1,1,100.0,1.0
+O=C(NCc1ccncc1)c1cccc(F)c1,0,0.0,
+O=C(NCc1ccncc1)c1cnccn1,0,0.0,
+O=C(NCc1ccncc1)c1nnc(Cc2c(F)cccc2Cl)o1,0,0.0,
+O=C(NCc1ccoc1)c1ccc(NC(=O)c2ccccc2Cl)cc1,0,0.0,
+O=C(NCc1cn2ccccc2n1)c1ccc(Br)o1,0,0.0,
+O=C(NCc1cn2ccccc2n1)c1cccs1,0,0.0,
+O=C(NCc1cn2ccsc2n1)Nc1ccc(Cl)cc1,0,0.0,
+O=C(NCc1cn2ccsc2n1)Nc1cccc(Cl)c1,0,0.0,
+O=C(NCc1cn2ccsc2n1)c1c(F)cccc1Cl,0,0.0,
+O=C(NCc1cn2ccsc2n1)c1cccc(C(F)(F)F)c1,0,0.0,
+O=C(NCc1cn2ccsc2n1)c1cccs1,0,0.0,
+O=C(NCc1csc(-c2ccccc2)n1)c1ccco1,0,0.0,
+O=C(NCc1n[nH]c(=S)n1-c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(NCc1n[nH]c(=S)n1-c1ccc(F)cc1)c1ccco1,0,0.0,
+O=C(NCc1nc(-c2ccccc2)no1)c1ccc(Br)o1,0,0.0,
+O=C(NCc1nc(-c2ccccc2)no1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(NCc1nc(-c2ccccc2)no1)c1cccs1,0,0.0,
+O=C(NCc1nc2ccccc2[nH]1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(NCc1nc2ccccc2[nH]1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(NCc1nc2ccccc2[nH]1)c1ccco1,0,0.0,
+O=C(NCc1nc2ccccc2[nH]1)c1cccs1,0,0.0,
+O=C(NCc1nc2ncc(Br)cc2[nH]1)c1ccccc1,0,0.0,
+O=C(NCc1nnc(SC/C=C/c2ccccc2)o1)c1ccco1,0,0.0,
+O=C(NCc1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)o1)c1ccccc1F,0,0.0,
+O=C(NCc1nnc(SCC(=O)N2CCCC2)o1)c1c(F)cccc1Cl,0,0.0,
+O=C(NCc1nnc(SCC(=O)N2CCCC2)o1)c1ccccc1F,0,0.0,
+O=C(NCc1nnc(SCC(=O)N2CCCCCC2)o1)c1ccco1,0,0.0,
+O=C(NCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)o1)c1ccco1,0,0.0,
+O=C(NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1Cl,0,0.0,
+O=C(NCn1ccc(=O)[nH]c1=S)c1ccccc1,0,0.0,
+O=C(NO)C1CC2C=CC1C2,0,0.0,
+O=C(NO)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1,0,0.0,
+O=C(NO)c1ccc(OC(F)F)cc1,0,0.0,
+O=C(NO)c1ccccc1O,0,0.0,
+O=C(NS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1)c1ccccc1,0,0.0,
+O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1,0,0.0,
+O=C(NS(=O)(=O)c1ccccc1)c1ccccc1F,0,0.0,
+O=C(NS(=O)(=O)c1ccccc1)c1ccccc1O,0,0.0,
+O=C(NS(=O)(=O)c1ccccc1Cl)c1ccc[nH]1,0,0.0,
+O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccnc1,0,0.0,
+O=C(Nc1c(-c2ccccc2)nc2c(Br)cc(Br)cn12)c1ccco1,0,0.0,
+O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccco1,0,0.0,
+O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccccc1,0,0.0,
+O=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccccc1,0,0.0,
+O=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccco1,0,0.0,
+O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccccc1,0,0.0,
+O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1Cl)c1ccco1,0,0.0,
+O=C(Nc1c(C(=O)NCc2ccco2)cnn1-c1ccccc1)c1ccc(F)cc1,0,0.0,
+O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1-c1ccccc1Cl)c1ccco1,0,0.0,
+O=C(Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1ccco1,0,0.0,
+O=C(Nc1c(C(=O)O)[nH]c2ccccc12)NC1CCCCC1,0,0.0,
+O=C(Nc1c(C(=O)O)oc2ccc(Br)cc12)c1ccccc1,0,0.0,
+O=C(Nc1c(Cl)cc(Cl)cc1C(=O)NCC1CCCO1)c1ccco1,0,0.0,
+O=C(Nc1c(Cl)cccc1Cl)C1CCC1,0,0.0,
+O=C(Nc1c(F)c(F)c(F)c(F)c1F)C1CCCCC1,0,0.0,
+O=C(Nc1c(F)c(F)c(F)c(F)c1F)NC1CCCCC1,0,0.0,
+O=C(Nc1c(F)cc(F)cc1Br)C1CCCO1,0,0.0,
+O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccc(O)cc2)on1,0,0.0,
+O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccco2)on1,0,0.0,
+O=C(Nc1c(F)cc(F)cc1Br)c1cc(C2CC2)on1,0,0.0,
+O=C(Nc1c(F)cc(F)cc1Br)c1cc2nc(C(F)F)cc(C(F)F)n2n1,0,0.0,
+O=C(Nc1c(F)cc(F)cc1Br)c1cccnc1,0,0.0,
+O=C(Nc1c(F)cc(F)cc1Br)c1ccco1,0,0.0,
+O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S+]([O-])C2)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(Nc1cc(=O)[nH]c2ncnn12)c1ccccc1Cl,0,0.0,
+O=C(Nc1cc(=O)c2ccccc2o1)N1CCCCC1,0,0.0,
+O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)c1ccccc1,0,0.0,
+O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)c1ccccc1F,0,0.0,
+O=C(Nc1cc(C(=O)N2CCOCC2)cc(C(=O)N2CCOCC2)c1)c1cc(F)c(F)cc1Cl,0,0.0,
+O=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCC1)c1cccs1,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(c2nnc(-n3cccc3)s2)CC1,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(C2CC2)on1,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1F)C1CCC1,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccnc1,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccco1,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1Cc2ccccc2CN1C(=O)c1ccco1,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ccccc2n1,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccnc1,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccco1,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cncc(Br)c1,0,0.0,
+O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1n[nH]c(=O)c2ccccc12,0,0.0,
+O=C(Nc1cc(Cl)ccc1Cl)c1noc2c1CCCC2,0,0.0,
+O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cnccn1,0,0.0,
+O=C(Nc1cc(Cl)ccc1O)C1CCCO1,0,0.0,
+O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc3c(c1)OCO3)N2,0,0.0,
+O=C(Nc1cc(N2CCOCC2)ncn1)NC1(C(F)(F)F)Oc2ccc(Cl)cc2O1,0,0.0,
+O=C(Nc1cc(N2CCOCC2)ncn1)Nc1cccc2ccccc12,0,0.0,
+O=C(Nc1cc(N2CCOCC2)ncn1)c1ccccc1,0,0.0,
+O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccco1,0,0.0,
+O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CC1,0,0.0,
+O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCC1,0,0.0,
+O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCO1,0,0.0,
+O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cc(-n2cnnc2)ccc1Cl,0,0.0,
+O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCCO1,0,0.0,
+O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(F)(F)F,0,0.0,
+O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C1CCCO1,0,0.0,
+O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(-c2nnco2)cc1)c1ccccc1,0,0.0,
+O=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(-c2noc(COc3ccccc3Cl)n2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(-n2cnnn2)cc1)C1CCC1,0,0.0,
+O=C(Nc1ccc(-n2cnnn2)cc1)C1CCCN1C(=O)NC1CCCCC1,0,0.0,
+O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)c1ccc(F)cc1,0,0.0,
+O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)c1cccc(F)c1,0,0.0,
+O=C(Nc1ccc(Br)c(Cl)c1)C1CC1,1,100.0,0.0
+O=C(Nc1ccc(Br)c(Cl)c1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Br)c2cccnc12)c1ccc(Cn2cc(Cl)cn2)o1,0,0.0,
+O=C(Nc1ccc(Br)cc1)C1CCCN1S(=O)(=O)c1cccs1,0,0.0,
+O=C(Nc1ccc(Br)cc1)N1CCCCCCC1,0,0.0,
+O=C(Nc1ccc(Br)cc1)c1cnccn1,0,0.0,
+O=C(Nc1ccc(Br)cc1Cl)Nn1cnnc1,0,0.0,
+O=C(Nc1ccc(Br)cc1Cl)c1cnccn1,0,0.0,
+O=C(Nc1ccc(Br)cc1F)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(Nc1ccc(Br)cc1F)C1CCN(c2nnc(-n3cccc3)s2)CC1,0,0.0,
+O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S+]2[O-],0,0.0,
+O=C(Nc1ccc(Br)cc1F)c1ccncc1,0,0.0,
+O=C(Nc1ccc(Br)cc1F)c1sccc1-n1cccc1,0,0.0,
+O=C(Nc1ccc(Br)cn1)c1ccc2nccnc2c1,0,0.0,
+O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1F,0,0.0,
+O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc(Cl)c1,0,0.0,
+O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccs1,0,0.0,
+O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1nc2ncccn2n1,0,0.0,
+O=C(Nc1ccc(C(F)(F)F)cc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,0,0.0,
+O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cn2cc(Br)cn2)o1,0,0.0,
+O=C(Nc1ccc(C2CCCCC2)cc1)C1CCCN(c2ncccn2)C1,0,0.0,
+O=C(Nc1ccc(C2CCCCC2)cc1)C1CCN(c2ncccn2)CC1,0,0.0,
+O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ncn[nH]1,0,0.0,
+O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2o1,0,0.0,
+O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccn2n1,0,0.0,
+O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1,0,0.0,
+O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc(F)c1,0,0.0,
+O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccs1,0,0.0,
+O=C(Nc1ccc(Cc2ccc(NC(=O)C3CC3)c(O)c2)cc1O)C1CC1,0,0.0,
+O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCOCC3)cc2)cc1)N1CCOCC1,0,0.0,
+O=C(Nc1ccc(Cc2ccncc2)cc1)C1CC1,0,0.0,
+O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,1,100.0,
+O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCC(O)C1,0,0.0,
+O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)Cc1ccco1,0,0.0,
+O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(N2CCCCC2)CC1,1,100.0,0.0
+O=C(Nc1ccc(Cl)c(Cl)c1)N1CCSC1c1ccco1,0,0.0,
+O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCCC1,0,0.0,
+O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cccnc1,0,0.0,
+O=C(Nc1ccc(Cl)c(Cl)c1)c1ccncc1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)C(c1ccccc1)N(CCO)CCO,0,0.0,
+O=C(Nc1ccc(Cl)cc1)C1CC2CCCC(C1)C2=O,0,0.0,
+O=C(Nc1ccc(Cl)cc1)C1CC=CCC1C(=O)OCC(F)(F)C(F)F,0,0.0,
+O=C(Nc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)N(Cc1cccnc1)Cc1ccco1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)N(Cc1cccs1)Cc1cccs1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)N(Cc1nnc2n1CCCCC2)c1ccccc1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)N1CC=CCC1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc(-c3cccs3)no2)CC1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)N1CCCC1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1,1,100.0,1.0
+O=C(Nc1ccc(Cl)cc1)N1CCSCC1,1,100.0,0.0
+O=C(Nc1ccc(Cl)cc1)NC1(C(=O)NCCCN2CCOCC2)CCCCC1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)NC1CCCC1Cc1ccco1,1,100.0,
+O=C(Nc1ccc(Cl)cc1)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)N1CCN=C1S2,0,0.0,
+O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C(c1ccccc1)N1CCOCC1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccc(Cl)cc1)c1ccncc1,0,0.0,
+O=C(Nc1ccc(Cl)cc1)c1ccsn1,0,0.0,
+O=C(Nc1ccc(Cl)cc1C(=O)N1CCOCC1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Cl)cc1C(=O)NCC1CCCO1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Cl)cc1C(=O)NCCN1CCOCC1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Cl)cc1C(=O)NCc1cccnc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccccn1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccncc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O,0,0.0,
+O=C(Nc1ccc(Cl)cc1F)C1CCN(S(=O)(=O)c2cccnc2)CC1,0,0.0,
+O=C(Nc1ccc(Cl)cc1F)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1,0,0.0,
+O=C(Nc1ccc(Cl)cn1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+O=C(Nc1ccc(Cl)cn1)C1CCCN1S(=O)(=O)c1ccccc1,0,0.0,
+O=C(Nc1ccc(Cl)cn1)Nc1cccs1,0,0.0,
+O=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl,0,0.0,
+O=C(Nc1ccc(Cl)cn1)c1cc2ccccc2o1,0,0.0,
+O=C(Nc1ccc(Cl)cn1)c1ccc(COCC(F)(F)C(F)F)o1,0,0.0,
+O=C(Nc1ccc(Cl)cn1)c1cccc(F)c1,0,0.0,
+O=C(Nc1ccc(Cl)cn1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(Cl)cn1)c1cnn2cccnc12,0,0.0,
+O=C(Nc1ccc(Cn2nnc3ccccc32)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3,0,0.0,
+O=C(Nc1ccc(F)c(F)c1)NC1CCCCC1,0,0.0,
+O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccc(F)c(F)c1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(F)cc1)C1CCC(N2C(=O)c3ccccc3C2=O)CC1,0,0.0,
+O=C(Nc1ccc(F)cc1)C1CCCCC1,0,0.0,
+O=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+O=C(Nc1ccc(F)cc1)C1CCN(c2nnnn2-c2ccccc2)CC1,0,0.0,
+O=C(Nc1ccc(F)cc1)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,0,0.0,
+O=C(Nc1ccc(F)cc1)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0.0,
+O=C(Nc1ccc(F)cc1)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0.0,
+O=C(Nc1ccc(F)cc1)N(Cc1nnc2n1CCCCC2)c1ccccc1,0,0.0,
+O=C(Nc1ccc(F)cc1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)CC1,0,0.0,
+O=C(Nc1ccc(F)cc1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(Nc1ccc(F)cc1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+O=C(Nc1ccc(F)cc1)N1CCOCC1,0,0.0,
+O=C(Nc1ccc(F)cc1)N1CCn2c(nc3ccccc32)C1,0,0.0,
+O=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2ccco2)CCCCC1,0,0.0,
+O=C(Nc1ccc(F)cc1)NC1CCN(Cc2nnnn2Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(Nc1ccc(F)cc1)NC1CCN(Cc2nnnn2Cc2ccco2)CC1,0,0.0,
+O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)cn1,0,0.0,
+O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)cs1,0,0.0,
+O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+O=C(Nc1ccc(F)cc1)c1cccc2c1C(=O)N(Cc1ccccn1)C2,0,0.0,
+O=C(Nc1ccc(F)cc1)c1cccnc1N1CCOCC1,0,0.0,
+O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)C1CCCC1,0,0.0,
+O=C(Nc1ccc(F)cc1Cl)c1ccc2c(=O)n3c(nc2c1)CCCCC3,0,0.0,
+O=C(Nc1ccc(F)cc1F)N1CCCCC1c1cccnc1,0,0.0,
+O=C(Nc1ccc(F)cc1F)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(Nc1ccc(F)cc1F)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(Nc1ccc(F)cc1F)NC1CC(=O)N(Cc2ccccc2)C1,0,0.0,
+O=C(Nc1ccc(F)cc1F)c1cc(-c2ccco2)on1,0,0.0,
+O=C(Nc1ccc(F)cc1F)c1cc2n(n1)C(C(F)(F)F)C1CCCCC1N2,0,0.0,
+O=C(Nc1ccc(F)cc1F)c1cc2ncc(Br)cn2n1,0,0.0,
+O=C(Nc1ccc(F)cc1F)c1ccc(COc2c(F)c(F)cc(F)c2F)o1,0,0.0,
+O=C(Nc1ccc(F)cc1F)c1cccnc1,0,0.0,
+O=C(Nc1ccc(F)cc1F)c1ccco1,0,0.0,
+O=C(Nc1ccc(F)cc1F)c1noc2c1CCC2,0,0.0,
+O=C(Nc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)Nc1cccnc1,0,0.0,
+O=C(Nc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)Nc1nncs1,0,0.0,
+O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccco1,0,0.0,
+O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(F)c1,0,0.0,
+O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(F)c1,0,0.0,
+O=C(Nc1ccc(N2CCCCC2)c(C(=O)O)c1)c1ccco1,0,0.0,
+O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ncn[nH]1,0,0.0,
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1,0,0.0,
+O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1,0,0.0,
+O=C(Nc1ccc(N2CCCCC2)cc1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(N2CCCCC2)cc1)c1cncc(Br)c1,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccco1,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cc2ccccc2o1,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cccs1,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(F)cc1,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccc(F)c1,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccccc1F,0,0.0,
+O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccs1,0,0.0,
+O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ncn[nH]1,0,0.0,
+O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1)Oc1ccccc1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)C1CCCCC1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(Br)o1,1,100.0,
+O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(F)c1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccco1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ncn[nH]1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1ccncc1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1)C1CC1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1)C1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1)C1CCCN(S(=O)(=O)c2ccccc2)C1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1)NC1CCCCC1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1)Nc1cnsn1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1)c1cnsn1,0,0.0,
+O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccco1,0,0.0,
+O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1)c1ccco1,0,0.0,
+O=C(Nc1ccc(NC(=O)C2CC2)cn1)c1ccccc1Cl,0,0.0,
+O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cccc(F)c1,0,0.0,
+O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccccn1,0,0.0,
+O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cccs1,0,0.0,
+O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccncc1,0,0.0,
+O=C(Nc1ccc(NC(=O)C2CCCCC2)cn1)c1ccco1,0,0.0,
+O=C(Nc1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cnccn1,0,0.0,
+O=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1ccccn1,0,0.0,
+O=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(NC(=O)c2cccs2)cn1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Nc2ccccc2)cc1)C1CC1,0,0.0,
+O=C(Nc1ccc(Nc2ccccc2)cc1)N1CCOCC1,0,0.0,
+O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O,0,0.0,
+O=C(Nc1ccc(O)cc1)C1CC=CCC1,0,0.0,
+O=C(Nc1ccc(O)cc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+O=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl,0,0.0,
+O=C(Nc1ccc(O)cc1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2,0,0.0,
+O=C(Nc1ccc(O)cc1)c1ccc(C(=O)c2ccccc2)o1,0,0.0,
+O=C(Nc1ccc(O)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O,0,0.0,
+O=C(Nc1ccc(O)cc1C(=O)O)c1cccc(Br)c1,0,0.0,
+O=C(Nc1ccc(OC(=O)N2CCCC2)cc1)N1CCOCC1,0,0.0,
+O=C(Nc1ccc(OC(=O)c2cccnc2)cc1)c1cccnc1,0,0.0,
+O=C(Nc1ccc(OC(=O)c2ccco2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(OC(=O)c2cccs2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(OC(=O)c2ccncc2)cc1)c1ccncc1,0,0.0,
+O=C(Nc1ccc(OC(F)(F)F)cc1)C1=NCCN1,0,0.0,
+O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1,0,0.0,
+O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(Nc1ccc(OC(F)F)c(Cl)c1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ncn[nH]1,0,0.0,
+O=C(Nc1ccc(Oc2ccc(NC(=O)C3CCCO3)cc2)cc1)C1CCCO1,0,0.0,
+O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccco3)c(NC(=O)c3ccco3)c2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(c2ncccn2)C1,0,0.0,
+O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCO1,0,0.0,
+O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ncccn2)CC1,0,0.0,
+O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCOCC2)cc1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)C1=COCCO1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccncc1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnccn1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CCCO1,1,100.0,0.0
+O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C1CCCO1,1,100.0,1.0
+O=C(Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)c1cnccn1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C1CCCO1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1cnccn1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc2ccccc2n1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1CCCO1,1,100.0,0.0
+O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCCCC1,1,100.0,0.0
+O=C(Nc1ccc(SC(F)F)cc1)C1=COCCO1,0,0.0,
+O=C(Nc1ccc(SC(F)F)cc1)c1ccc2nccnc2c1,1,100.0,
+O=C(Nc1ccc2[nH]c3c(c2c1)CCCC3)c1ccco1,0,0.0,
+O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C1CCCO1,0,0.0,
+O=C(Nc1ccc2c(c1)CCC2)C1CCCN(c2ncccn2)C1,0,0.0,
+O=C(Nc1ccc2c(c1)CCC2)C1CCCO1,0,0.0,
+O=C(Nc1ccc2c(c1)CCC2)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)CCC2)C1CCN(c2ncccn2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)CCC2)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1ccc2c(c1)CCC2)c1cnccn1,0,0.0,
+O=C(Nc1ccc2c(c1)CCC2)c1cnn2c1NC(c1ccco1)CC2C(F)(F)F,0,0.0,
+O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccco1,0,0.0,
+O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(S(=O)(=O)Cc2ccccc2)C1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(S(=O)(=O)c2cccnc2)C1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(S(=O)(=O)c2cccs2)C1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(c2ncccn2)C1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCCN1S(=O)(=O)c1cccc2cccnc12,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(Br)cc2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(F)cc2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cnccn2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2nnnn2-c2ccccc2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)NC1(C(F)(F)F)Oc2ccccc2O1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)NC1CCCCC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1c(F)cccc1F,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1cc(-n2cnnc2)ccc1Cl,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CN2CCOCC2)cc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1ccc(NC(=O)C2CCCO2)cc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1ccc2nccnc2c1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1F,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1cccnc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1ccco1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1ccncc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1cnc2ccccn2c1=O,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(Nc1ccc2c(c1)OCCO2)c1cncc(Br)c1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C(c1ccccc1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C(c1ccccc1)N1CCCCC1,1,100.0,1.0
+O=C(Nc1ccc2c(c1)OCO2)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CC(c2c(F)cccc2Cl)=NO1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CC(c2ccccc2Cl)=NO1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)Cc2ccccc2)C1,1,100.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccs2)C1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2nc3ccccc3s2)C1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)NCc1ccccc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1cccc(F)c1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1ccccc1F,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)OCc1ccccc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cccs2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1,1,100.0,0.0
+O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)C1Cc2ccccc2CN1S(=O)(=O)c1cccs1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)N1CCOCC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(Br)cn1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)Nc1cnccn1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)OCc1ccccc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)Oc1ccccc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C2c3ccccc3C=CN21,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1c(Cl)nc2sccn12,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1c(F)cccc1F,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cc(C2CC2)on1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cc2n(n1)C(C(F)(F)F)CC(c1ccccc1)N2,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1ccc(Br)s1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCOCC2)cc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1ccc(COc2ccc3c(c2)CCC3)o1,1,100.0,0.0
+O=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cccc(F)c1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(Cc1cccnc1)C2,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1ccccc1SCC(=O)N1CCCC1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cccs1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1ccncc1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cn(Cc2ccc(F)cc2)nn1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cncc(Br)c1,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1NC(c1ccco1)CC2C(F)(F)F,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1cnn2cccnc12,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1nn(-c2ccccc2)c(=O)c2ccccc12,0,0.0,
+O=C(Nc1ccc2c(c1)OCO2)c1noc2c1CCCCC2,1,100.0,1.0
+O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,0,0.0,
+O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)c1ccco1,0,0.0,
+O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1cccs1,0,0.0,
+O=C(Nc1ccc2c(c1)nc1n2CCOC1)C1CCCCC1,0,0.0,
+O=C(Nc1ccc2c(c1)nc1n2CCOC1)c1ccccc1,0,0.0,
+O=C(Nc1ccc2c(c1)nc1n2CCOC1)c1ccco1,0,0.0,
+O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccccc1,0,0.0,
+O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccco1,0,0.0,
+O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1ccco1,0,0.0,
+O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)c1ccco1,0,0.0,
+O=C(Nc1ccc2c(c1)oc1ccc(S(=O)(=O)N3CCCC3)cc12)C1CC1,0,0.0,
+O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC1,0,0.0,
+O=C(Nc1ccc2c(c1)oc1ccccc12)N1CCOCC1,0,0.0,
+O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccnc1,0,0.0,
+O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccncc1,0,0.0,
+O=C(Nc1ccc2c3c(cccc13)CC2)c1ccco1,0,0.0,
+O=C(Nc1ccc2ccccc2c1)N1CCN(c2ncccc2C(F)(F)F)CC1,0,0.0,
+O=C(Nc1ccc2ccccc2c1)c1cccnc1,0,0.0,
+O=C(Nc1ccc2ccccc2c1)c1cnccn1,0,0.0,
+O=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccco1,0,0.0,
+O=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1cccs1,0,0.0,
+O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccco1,0,0.0,
+O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccco1,0,0.0,
+O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccco1,0,0.0,
+O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cccs1,0,0.0,
+O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCCCC1,1,100.0,
+O=C(Nc1ccc2nc(-c3cccs3)[nH]c2c1)c1ccco1,0,0.0,
+O=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCOCC1,1,100.0,1.0
+O=C(Nc1ccc2nc(C3CC3)n(Cc3ccc(F)cc3)c(=O)c2c1)c1ccco1,0,0.0,
+O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccccn1,0,0.0,
+O=C(Nc1ccc2nc[nH]c2c1)c1ccco1,0,0.0,
+O=C(Nc1ccc2nccnc2c1)c1cnccn1,0,0.0,
+O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccnc1,0,0.0,
+O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccs1,0,0.0,
+O=C(Nc1ccc2nsnc2c1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccc2nsnc2c1)c1cccs1,0,0.0,
+O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1F,0,0.0,
+O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccnc1,0,0.0,
+O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccncc1,0,0.0,
+O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cncc(Br)c1,0,0.0,
+O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ncn[nH]1,0,0.0,
+O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cncc(Br)c1,0,0.0,
+O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cc2ccccc2o1,0,0.0,
+O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccnc1,0,0.0,
+O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1F,0,0.0,
+O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccs1,0,0.0,
+O=C(Nc1ccc2oc(=O)ccc2c1)c1cccnc1,0,0.0,
+O=C(Nc1ccc2oc(=O)ccc2c1)c1ccco1,0,0.0,
+O=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1cccnc1,0,0.0,
+O=C(Nc1ccc2sccc2c1)c1ccc(Cl)s1,0,0.0,
+O=C(Nc1ccc2snnc2c1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Nc1ccc2snnc2c1)N1CCOCC1,1,100.0,0.0
+O=C(Nc1ccc2snnc2c1)N1CCSCC1,0,0.0,
+O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cnccn1,0,0.0,
+O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1,0,0.0,
+O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)C1CCCO1,0,0.0,
+O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cc2ccccc2o1,0,0.0,
+O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)C1CCCCC1,0,0.0,
+O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)C1CCCO1,0,0.0,
+O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(-c2nnn(CC(=O)N3CCc4ccccc4C3)n2)c1)C1CCC1,0,0.0,
+O=C(Nc1cccc(-n2cnnn2)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(Br)c1)c1cc2ccccc2o1,0,0.0,
+O=C(Nc1cccc(Br)c1)c1ccn[nH]1,0,0.0,
+O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1,0,0.0,
+O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(C(=O)N2CCOCC2)c1)NC1CCCCC1,0,0.0,
+O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cccnc1,0,0.0,
+O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cncc(Br)c1,0,0.0,
+O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ncn[nH]1,0,0.0,
+O=C(Nc1cccc(C(F)(F)F)c1)C1C2CC3OC(=O)C1C3C2,0,0.0,
+O=C(Nc1cccc(C(F)(F)F)c1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(Nc1cccc(C(F)(F)F)c1)C1CCCN(c2ncccn2)C1,0,0.0,
+O=C(Nc1cccc(C(F)(F)F)c1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,0,0.0,
+O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,0,0.0,
+O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1,0,0.0,
+O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(Nc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1,0,0.0,
+O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1N1CCCC1,0,0.0,
+O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1N1CCN(CCO)CC1,0,0.0,
+O=C(Nc1cccc(C(F)(F)F)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(Nc1cccc(Cl)c1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1ccccc1F,0,0.0,
+O=C(Nc1cccc(Cl)c1)N(CCN1CCOCC1)Cc1cccc(Cl)c1,1,100.0,1.0
+O=C(Nc1cccc(Cl)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1,0,0.0,
+O=C(Nc1cccc(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(Nc1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(Nc1cccc(Cl)c1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(Nc1cccc(Cl)c1)NC1CCCCC1,1,100.0,0.0
+O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1cccc(Cl)c1)Nc1nccs1,0,0.0,
+O=C(Nc1cccc(Cl)c1)OCc1ccccn1,0,0.0,
+O=C(Nc1cccc(Cl)c1)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2,0,0.0,
+O=C(Nc1cccc(Cl)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3,0,0.0,
+O=C(Nc1cccc(Cl)c1)c1ccncc1,0,0.0,
+O=C(Nc1cccc(Cl)c1)c1cnn2cccnc12,0,0.0,
+O=C(Nc1cccc(Cl)c1Cl)c1ccncc1,0,0.0,
+O=C(Nc1cccc(Cl)c1N1CCCC1)c1cc2ccccc2o1,0,0.0,
+O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(Nc1cccc(Cn2cccn2)c1)c1cc2c(s1)CCCC2,0,0.0,
+O=C(Nc1cccc(F)c1)C1C2C=CC3(CN(CCCN4CCOCC4)C(=O)C13)O2,0,0.0,
+O=C(Nc1cccc(F)c1)C1CC(=O)N(c2ccc(Br)cc2)C1,0,0.0,
+O=C(Nc1cccc(F)c1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,0,0.0,
+O=C(Nc1cccc(F)c1)C1CCN(C(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(Nc1cccc(F)c1)C1CCN(c2nnnn2-c2ccccc2)CC1,0,0.0,
+O=C(Nc1cccc(F)c1)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1,0,0.0,
+O=C(Nc1cccc(F)c1)NC1CC2CCCC(C1)N2C1CC1,0,0.0,
+O=C(Nc1cccc(F)c1)NC1CCCCC1,0,0.0,
+O=C(Nc1cccc(F)c1)Nc1ccccn1,0,0.0,
+O=C(Nc1cccc(F)c1)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)ccc1F,0,0.0,
+O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+O=C(Nc1cccc(F)c1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1cccc(F)c1)c1cccnc1N1CCOCC1,0,0.0,
+O=C(Nc1cccc(N2CCCC2)c1)c1cccs1,0,0.0,
+O=C(Nc1cccc(N2CCOCC2)c1)c1cccs1,0,0.0,
+O=C(Nc1cccc(NC(=O)C2CC3CCCC(C2)C3=O)n1)C1CC2CCCC(C1)C2=O,0,0.0,
+O=C(Nc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2)CC1,1,100.0,
+O=C(Nc1cccc(NC(=O)c2ccc(-c3cccc(Br)c3)o2)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(NC(=O)c2ccc(Br)o2)n1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1cccnc1,0,0.0,
+O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(NC(=O)c2nccc3ccccc23)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1)c1ccccn1,0,0.0,
+O=C(Nc1cccc(O)c1)C1CCCN1C(=O)OCc1ccccc1,0,0.0,
+O=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl,0,0.0,
+O=C(Nc1cccc(O)c1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(Nc1cccc(O)c1)c1ccc(Br)cc1,0,0.0,
+O=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(Nc1cccc(O)c1)c1ccccc1,0,0.0,
+O=C(Nc1cccc(OC(=O)N2CCOCC2)c1)N1CCOCC1,0,0.0,
+O=C(Nc1cccc(OC(=O)c2ccco2)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1cccc(OCC(=O)N2CCOCC2)c1)C1CCCCC1,0,0.0,
+O=C(Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2,0,0.0,
+O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1)c1ccco1,0,0.0,
+O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,1,100.0,0.0
+O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C3CC3)c2)c1)C1CC1,0,0.0,
+O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(Nc1cccc2c1CCCC2)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,0,0.0,
+O=C(Nc1cccc2c1CCCC2)C1CCN(C(=O)NC2CCCCC2)CC1,0,0.0,
+O=C(Nc1cccc2c1CCCC2)C1CCN(c2nnnn2-c2ccccc2)CC1,0,0.0,
+O=C(Nc1cccc2c1CCCC2)c1ccc(Br)o1,0,0.0,
+O=C(Nc1cccc2c1CCCC2)c1ccco1,0,0.0,
+O=C(Nc1cccc2cccc(NC(=O)c3ccco3)c12)c1ccco1,0,0.0,
+O=C(Nc1cccc2ccccc12)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(Nc1cccc2ccccc12)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(Nc1cccc2ccccc12)N1CCOCC1,0,0.0,
+O=C(Nc1cccc2ccccc12)OC1C=CS(=O)(=O)C1,0,0.0,
+O=C(Nc1cccc2ccccc12)c1ccc(Br)o1,0,0.0,
+O=C(Nc1cccc2ccccc12)c1cnccn1,0,0.0,
+O=C(Nc1cccc2cccnc12)c1ccc(Br)o1,0,0.0,
+O=C(Nc1cccc2cccnc12)c1cccc(N2C(=O)CCC2=O)c1,0,0.0,
+O=C(Nc1cccc2cccnc12)c1cccnc1,0,0.0,
+O=C(Nc1cccc2ncccc12)c1cc2ccccc2o1,0,0.0,
+O=C(Nc1cccc2ncccc12)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(Nc1cccc2ncccc12)c1cccnc1,0,0.0,
+O=C(Nc1cccc2nsnc12)C1CC(=O)N(c2ccccc2)C1,0,0.0,
+O=C(Nc1cccc2nsnc12)c1ccc(F)cc1,0,0.0,
+O=C(Nc1cccc2nsnc12)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(Nc1cccc2nsnc12)c1cccs1,0,0.0,
+O=C(Nc1ccccc1)C1=C(N2CCOCC2)/C(=C/c2cccnc2)CC1,0,0.0,
+O=C(Nc1ccccc1)C1=C(O)CC(c2ccco2)CC1=Nc1ccccc1,0,0.0,
+O=C(Nc1ccccc1)C1=C(O)CC(c2ccoc2)CC1=Nc1ccccc1,0,0.0,
+O=C(Nc1ccccc1)C1CC(=O)N(C2CCCCC2)C1,0,0.0,
+O=C(Nc1ccccc1)C1CC2CCCC(C1)C2=O,0,0.0,
+O=C(Nc1ccccc1)C1CC=CCC1C(=O)OCC1CCCO1,0,0.0,
+O=C(Nc1ccccc1)C1CCN(c2nccs2)CC1,0,0.0,
+O=C(Nc1ccccc1)N(C1=NCCC1)c1ccc(OC(F)F)cc1,0,0.0,
+O=C(Nc1ccccc1)N(C1=NCCCCS1)c1ccccc1,0,0.0,
+O=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,0,0.0,
+O=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1ccccc1F,0,0.0,
+O=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1cccs1,0,0.0,
+O=C(Nc1ccccc1)N(CCN1CCOCC1)Cc1cccc(Cl)c1,0,0.0,
+O=C(Nc1ccccc1)N(CCN1CCOCC1)Cc1ccccc1F,0,0.0,
+O=C(Nc1ccccc1)N(CCc1ccncc1)C1CCCCC1,0,0.0,
+O=C(Nc1ccccc1)N(CCc1nc2ccccc2[nH]1)C1CCCC1,0,0.0,
+O=C(Nc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+O=C(Nc1ccccc1)N(Cc1cccnc1)Cc1ccco1,0,0.0,
+O=C(Nc1ccccc1)N(Cc1cccs1)C1CCCC1,0,0.0,
+O=C(Nc1ccccc1)N(O)c1ccc(Cl)cc1,0,0.0,
+O=C(Nc1ccccc1)N1C(=O)C2(OCCO2)c2ccccc21,0,0.0,
+O=C(Nc1ccccc1)N1CC=C(c2ccc(F)cc2)CC1,1,100.0,
+O=C(Nc1ccccc1)N1CC=C(c2ccccc2)CC1,0,0.0,
+O=C(Nc1ccccc1)N1CCC(C(=O)N(Cc2ccco2)Cc2cccs2)CC1,0,0.0,
+O=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1,0,0.0,
+O=C(Nc1ccccc1)N1CCC(c2ccccc2)C1,0,0.0,
+O=C(Nc1ccccc1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)CC1,0,0.0,
+O=C(Nc1ccccc1)N1CCCC(c2nc(-c3cccs3)no2)C1,0,0.0,
+O=C(Nc1ccccc1)N1CCCC2CCCCC21,0,0.0,
+O=C(Nc1ccccc1)N1CCCCC1c1cccnc1,0,0.0,
+O=C(Nc1ccccc1)N1CCCN(Cc2ccccc2F)C1,0,0.0,
+O=C(Nc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(Nc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+O=C(Nc1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1,0,0.0,
+O=C(Nc1ccccc1)N1CCSCC1,0,0.0,
+O=C(Nc1ccccc1)N1CCn2c(nc3ccccc32)C1,0,0.0,
+O=C(Nc1ccccc1)N1CCn2c1nc1ccccc12,0,0.0,
+O=C(Nc1ccccc1)NC1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CCCCC1,0,0.0,
+O=C(Nc1ccccc1)NC1(C(=O)N2CCN(c3ncccn3)CC2)CCCCC1,0,0.0,
+O=C(Nc1ccccc1)NC1(C(=O)NCCCN2CCOCC2)CCCCC1,0,0.0,
+O=C(Nc1ccccc1)NC1(C(=O)NCc2ccc3c(c2)OCO3)CCCCC1,0,0.0,
+O=C(Nc1ccccc1)NC1(C(=O)NCc2ccco2)CCCCC1,0,0.0,
+O=C(Nc1ccccc1)NC1CC2CCC(C1)N2,0,0.0,
+O=C(Nc1ccccc1)NC1CCN(Cc2nnnn2C2CCCCC2)CC1,0,0.0,
+O=C(Nc1ccccc1)NC1CS(=O)(=O)CC1O,0,0.0,
+O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(Nc1ccccc1)Nc1cccc2cccnc12,0,0.0,
+O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1,0,0.0,
+O=C(Nc1ccccc1)Nc1ccccn1,0,0.0,
+O=C(Nc1ccccc1)Nc1nncs1,0,0.0,
+O=C(Nc1ccccc1)OC1C2CCC1C(N1CCCCC1)CC2,0,0.0,
+O=C(Nc1ccccc1)OCC1CCCN2CCCCC12,0,0.0,
+O=C(Nc1ccccc1)OCCNC(=O)c1ccccc1,0,0.0,
+O=C(Nc1ccccc1)OCCOc1ccccc1,0,0.0,
+O=C(Nc1ccccc1)OCc1ccccn1,0,0.0,
+O=C(Nc1ccccc1)c1cc(N2CCOCC2)nc2ccccc12,0,0.0,
+O=C(Nc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccccc1)c1ccc(NCC2CCCO2)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccccc1)c1ccc(NCCN2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccccc1)c1ccc(NCc2cccnc2)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccccc1)c1ccc(NCc2ccco2)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N(CCO)CCO)cc1,0,0.0,
+O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0.0,
+O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,0.0,
+O=C(Nc1ccccc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1,0,0.0,
+O=C(Nc1ccccc1)c1cccc(N2C(=O)CCC2=O)c1,0,0.0,
+O=C(Nc1ccccc1)c1cccc(N2CCCC2=O)c1,0,0.0,
+O=C(Nc1ccccc1)c1ccccc1O,0,0.0,
+O=C(Nc1ccccc1)c1ccccc1OCC(O)CN1C(=O)c2ccccc2S1(=O)=O,0,0.0,
+O=C(Nc1ccccc1)c1cccnc1N1CCOCC1,1,100.0,0.0
+O=C(Nc1ccccc1)c1cccnc1Nc1ccccc1,0,0.0,
+O=C(Nc1ccccc1)c1cnc2n(c1=O)CCS2,0,0.0,
+O=C(Nc1ccccc1)c1cnc[nH]1,0,0.0,
+O=C(Nc1ccccc1-c1ccccc1)C1CCCN(c2ncccn2)C1,0,0.0,
+O=C(Nc1ccccc1-c1ccccc1)NC1CCN(C(=O)N2CCOCC2)CC1,0,0.0,
+O=C(Nc1ccccc1-c1ccccc1)NC1CCN(CC(=O)N2CCOCC2)CC1,1,100.0,1.0
+O=C(Nc1ccccc1-c1ccccc1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1-c1ccccc1)c1cnccn1,0,0.0,
+O=C(Nc1ccccc1-c1nc2ccccc2o1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCN(c3ccccc3)CC2)n1)c1cccs1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(c2ncccn2)CC1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCCCC1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccn1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CC(=O)N(C2CCCC2)C1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCC(=O)N1C1CCCC1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCCO1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCOCC1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccncc1,0,0.0,
+O=C(Nc1ccccc1C(=O)N1CCOCC1)c1noc2c1CCCC2,0,0.0,
+O=C(Nc1ccccc1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)NC1CCCC1)NC1CCCC1,0,0.0,
+O=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccccc1,0,0.0,
+O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)NCc1ccco1)NC1CCCCC1,1,100.0,0.0
+O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1,0,0.0,
+O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccccc1C(=O)O)c1ccc2ccccc2n1,0,0.0,
+O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccc(Br)o2)c1,0,0.0,
+O=C(Nc1ccccc1C(=O)O)c1ncn[nH]1,0,0.0,
+O=C(Nc1ccccc1C(=O)OC1CCOC1=O)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc2C1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(=O)OCn1nnc2ccccc2c1=O)c1ccco1,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)C1CC(=O)N(c2ccccc2F)C1,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)N1CCC(N2CCCCC2)CC1,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)N1CCCC(O)C1,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)N1CCCCCC1,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ccc3nncn3n2)CC1,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccc(O)cc2)on1,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccc(O)c2)on1,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2O)on1,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccccc1C(F)(F)F)c1cccnc1,0,0.0,
+O=C(Nc1ccccc1C1CC1)c1cccs1,0,0.0,
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1,0,0.0,
+O=C(Nc1ccccc1Cl)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1,0,0.0,
+O=C(Nc1ccccc1Cl)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(Nc1ccccc1Cl)NC1(C(=O)NCCCN2CCOCC2)CCCCC1,0,0.0,
+O=C(Nc1ccccc1Cl)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CCCC(C(=O)O)C2)ccc1F,1,100.0,1.0
+O=C(Nc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(Nc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)C[S+]2[O-],0,0.0,
+O=C(Nc1ccccc1Cl)c1cccs1,0,0.0,
+O=C(Nc1ccccc1Cl)c1cnccn1,0,0.0,
+O=C(Nc1ccccc1F)C1C2C=CC3(O2)C1C(=O)N(c1cccnc1)C3C(=O)NC1CCCCC1,0,0.0,
+O=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+O=C(Nc1ccccc1F)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,0,0.0,
+O=C(Nc1ccccc1F)NC1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1,0,0.0,
+O=C(Nc1ccccc1F)c1cc(S(=O)(=O)N2CCCCC2)cs1,0,0.0,
+O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+O=C(Nc1ccccc1F)c1ccncc1,0,0.0,
+O=C(Nc1ccccc1N1CCCC1)c1cc2ccccc2o1,0,0.0,
+O=C(Nc1ccccc1N1CCCC1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccccc1N1CCCC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccccc1N1CCCC1)c1cccnc1,0,0.0,
+O=C(Nc1ccccc1N1CCCC1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1N1CCCCC1)c1ccc2nccnc2c1,0,0.0,
+O=C(Nc1ccccc1N1CCCCC1)c1cccc(F)c1,0,0.0,
+O=C(Nc1ccccc1N1CCCCC1)c1ccccc1F,0,0.0,
+O=C(Nc1ccccc1N1CCCCC1)c1cccs1,0,0.0,
+O=C(Nc1ccccc1N1CCCCC1)c1ncoc1-c1ccc(F)cc1,0,0.0,
+O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc2ccccc2o1,1,100.0,
+O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccnc1,0,0.0,
+O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cc2ccccc2o1,0,0.0,
+O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1,0,0.0,
+O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1,0,0.0,
+O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)C1CCCCC1,0,0.0,
+O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)c1cccc(F)c1,0,0.0,
+O=C(Nc1ccccc1N1CCOCC1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O,0,0.0,
+O=C(Nc1ccccc1N1CCOCC1)c1ccc2ccccc2n1,0,0.0,
+O=C(Nc1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(Nc1ccccc1NC(=O)c1ccco1)c1ccco1,0,0.0,
+O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl,0,0.0,
+O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,0,0.0,
+O=C(Nc1ccccc1O)c1ccc(Cl)cc1,0,0.0,
+O=C(Nc1ccccc1O)c1ccccc1O,0,0.0,
+O=C(Nc1ccccc1OC(=O)N1CCCCC1)N1CCCCC1,0,0.0,
+O=C(Nc1ccccc1OC(=O)N1CCOCC1)N1CCOCC1,0,0.0,
+O=C(Nc1ccccc1OC(F)F)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccccc1OC(F)F)c1ccc(F)cc1,0,0.0,
+O=C(Nc1ccccc1OC(F)F)c1ccccc1,0,0.0,
+O=C(Nc1ccccc1Oc1ccccc1)C1CC1,0,0.0,
+O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccccc1Oc1ccccc1)c1cnccn1,0,0.0,
+O=C(Nc1ccccc1Sc1ccccc1)C1CCCO1,0,0.0,
+O=C(Nc1ccccn1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,0,0.0,
+O=C(Nc1ccccn1)C1(c2ccccc2)CCCC1,0,0.0,
+O=C(Nc1ccccn1)C12CC3CC(C1)CC(C(=O)Nc1ccccn1)(C3)C2,0,0.0,
+O=C(Nc1ccccn1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,0,0.0,
+O=C(Nc1ccccn1)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(Nc1ccccn1)N1CCOCC1,0,0.0,
+O=C(Nc1ccccn1)NC(C(F)(F)F)C(F)(F)F,0,0.0,
+O=C(Nc1ccccn1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(Nc1ccccn1)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(Nc1ccccn1)Nc1cccs1,0,0.0,
+O=C(Nc1ccccn1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1,0,0.0,
+O=C(Nc1ccccn1)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+O=C(Nc1ccccn1)c1cc(-n2cnnc2)ccc1Cl,0,0.0,
+O=C(Nc1ccccn1)c1ccc(=O)[nH]n1,0,0.0,
+O=C(Nc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+O=C(Nc1ccccn1)c1ccc2ccccc2n1,0,0.0,
+O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1ccccn1)c1cccnc1,0,0.0,
+O=C(Nc1cccnc1)C(Cc1ccccc1)n1cccc1,0,0.0,
+O=C(Nc1cccnc1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,0,0.0,
+O=C(Nc1cccnc1)C1(c2ccccc2)CCCC1,0,0.0,
+O=C(Nc1cccnc1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1,0,0.0,
+O=C(Nc1cccnc1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,0,0.0,
+O=C(Nc1cccnc1)C1OCCc2ccccc21,0,0.0,
+O=C(Nc1cccnc1)Nc1ccc(Br)cc1Cl,0,0.0,
+O=C(Nc1cccnc1)Nc1ccc(F)c(Cl)c1,0,0.0,
+O=C(Nc1cccnc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1cccnc1)Nc1ccccc1Cl,0,0.0,
+O=C(Nc1cccnc1)Nc1ccccn1,0,0.0,
+O=C(Nc1cccnc1)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(Nc1cccnc1)c1c(F)cccc1F,0,0.0,
+O=C(Nc1cccnc1)c1c(O)c2c(n(Cc3ccccc3)c1=O)CCCC2,0,0.0,
+O=C(Nc1cccnc1)c1c(O)c2cccc3c2n(c1=O)CC3,0,0.0,
+O=C(Nc1cccnc1)c1cc(-c2ccc(Br)cc2)on1,0,0.0,
+O=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)OCO3)on1,0,0.0,
+O=C(Nc1cccnc1)c1cc(-c2ccco2)on1,0,0.0,
+O=C(Nc1cccnc1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(Nc1cccnc1)c1cc2c(ccc3ccccc32)o1,0,0.0,
+O=C(Nc1cccnc1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(Nc1cccnc1)c1ccc(Br)s1,0,0.0,
+O=C(Nc1cccnc1)c1ccc(CN2CCc3ccccc3C2)cc1,0,0.0,
+O=C(Nc1cccnc1)c1ccc(COCC(F)(F)F)cc1,0,0.0,
+O=C(Nc1cccnc1)c1ccc(COc2ccccc2Br)o1,0,0.0,
+O=C(Nc1cccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1,0,0.0,
+O=C(Nc1cccnc1)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+O=C(Nc1cccnc1)c1ccc(Oc2ccccc2)cc1,0,0.0,
+O=C(Nc1cccnc1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O,0,0.0,
+O=C(Nc1cccnc1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1cccnc1)c1ccc2snnc2c1,0,0.0,
+O=C(Nc1cccnc1)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+O=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1cccnc1)c1ccccc1F,0,0.0,
+O=C(Nc1cccnc1)c1ccccc1Oc1ccccc1,0,0.0,
+O=C(Nc1cccnc1)c1cccnc1,0,0.0,
+O=C(Nc1cccnc1)c1cccs1,0,0.0,
+O=C(Nc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1,0,0.0,
+O=C(Nc1cccnc1)c1cnc2ccccc2n1,0,0.0,
+O=C(Nc1cccnc1)c1cnn2c(C(F)F)cc(C3CC3)nc12,0,0.0,
+O=C(Nc1cccnc1)c1cnn2cccnc12,0,0.0,
+O=C(Nc1cccnc1)c1noc2c1CCCC2,0,0.0,
+O=C(Nc1cccnc1)c1noc2c1CCCCC2,1,100.0,
+O=C(Nc1cccnc1)c1scc2c1OCCO2,0,0.0,
+O=C(Nc1cccnc1N1CCOCC1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(Nc1cccnc1N1CCOCC1)c1ccco1,0,0.0,
+O=C(Nc1cccs1)NC1CCCC1,0,0.0,
+O=C(Nc1cccs1)Nc1ccccc1Cl,0,0.0,
+O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+O=C(Nc1ccn(C2CC(OC(=O)c3ccccc3)C(CO)O2)c(=O)n1)c1ccccc1,0,0.0,
+O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccncc1,0,0.0,
+O=C(Nc1ccncc1)C1(c2ccccc2)CCCC1,0,0.0,
+O=C(Nc1ccncc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+O=C(Nc1ccncc1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1ccncc1)C1c2ccccc2Oc2ccccc21,0,0.0,
+O=C(Nc1ccncc1)Nc1ccc(F)cc1F,0,0.0,
+O=C(Nc1ccncc1)Nc1ccccn1,0,0.0,
+O=C(Nc1ccncc1)c1c(F)cccc1F,1,100.0,0.0
+O=C(Nc1ccncc1)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O,0,0.0,
+O=C(Nc1ccncc1)c1cc2ccccc2o1,0,0.0,
+O=C(Nc1ccncc1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(Nc1ccncc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(Nc1ccncc1)c1cccc(F)c1,0,0.0,
+O=C(Nc1ccncc1)c1ccccc1F,0,0.0,
+O=C(Nc1ccncc1)c1cccs1,0,0.0,
+O=C(Nc1ccncc1)c1cncc(Br)c1,0,0.0,
+O=C(Nc1ccon1)C(Sc1ccccc1)c1ccccc1,0,0.0,
+O=C(Nc1ccon1)c1cc(-c2ccccc2)nc2ccccc12,0,0.0,
+O=C(Nc1ccon1)c1cc2c(s1)CCCC2,0,0.0,
+O=C(Nc1ccon1)c1cc2c(s1)CCCCCC2,0,0.0,
+O=C(Nc1ccon1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1ccon1)c1ccc(Cl)s1,0,0.0,
+O=C(Nc1ccon1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+O=C(Nc1ccon1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1ccon1)c1cccc(C(F)(F)F)c1,0,0.0,
+O=C(Nc1ccon1)c1cccc(Cl)c1,0,0.0,
+O=C(Nc1ccon1)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(Nc1ccon1)c1ccccc1Cl,0,0.0,
+O=C(Nc1ccon1)c1cnc2sccn2c1=O,0,0.0,
+O=C(Nc1ccon1)c1csc2c1CCCC2,0,0.0,
+O=C(Nc1ccon1)c1csc2ccccc12,0,0.0,
+O=C(Nc1ccon1)c1sc2cc(F)ccc2c1Cl,0,0.0,
+O=C(Nc1ccon1)c1sc2ccccc2c1Cl,0,0.0,
+O=C(Nc1cn(-c2ccccc2)nc1-c1cccs1)c1ccco1,0,0.0,
+O=C(Nc1cnc2ccccc2c1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1cnc2ccccc2c1)N1CCCCC1,0,0.0,
+O=C(Nc1cnc2ccccc2c1)N1CCOCC1,0,0.0,
+O=C(Nc1cnc2ccccc2c1)c1cccc(-n2cnnn2)c1,0,0.0,
+O=C(Nc1cnc2ccccc2c1)c1cccnc1,0,0.0,
+O=C(Nc1cnc2ccccc2c1)c1ccco1,0,0.0,
+O=C(Nc1cnc2ccccc2c1)c1ccncc1,0,0.0,
+O=C(Nc1cnc2ccccn2c1=O)c1ccc(F)cc1,0,0.0,
+O=C(Nc1cnc2sc3c(n2c1=O)CCCC3)c1ccc(F)cc1,0,0.0,
+O=C(Nc1cnc2sccn2c1=O)c1ccccc1Cl,0,0.0,
+O=C(Nc1cnccn1)C1c2ccccc2Oc2ccccc21,0,0.0,
+O=C(Nc1cnccn1)c1cccc(C(F)(F)F)c1,0,0.0,
+O=C(Nc1cnccn1)c1cccnc1,0,0.0,
+O=C(Nc1cnccn1)c1cccs1,0,0.0,
+O=C(Nc1cnccn1)c1ccncc1,0,0.0,
+O=C(Nc1cnccn1)c1csc2ccccc12,0,0.0,
+O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,0,0.0,
+O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cnn2cccnc12,0,0.0,
+O=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1nc2ncccn2n1,0,0.0,
+O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)C1CCCC1,0,0.0,
+O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cnccn1,0,0.0,
+O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1noc2c1CCCC2,0,0.0,
+O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2cccs2)on1,0,0.0,
+O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cnccn1,0,0.0,
+O=C(Nc1cnn(Cc2ccccc2)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(Nc1cnn(Cc2ccccc2)c1)c1nc2ncccn2n1,0,0.0,
+O=C(Nc1n[nH]c(C2CCCCC2)n1)C1CCCCC1,0,0.0,
+O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccs1,0,0.0,
+O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccco1,0,0.0,
+O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccs1,0,0.0,
+O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccncc1,0,0.0,
+O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)C1COc2ccccc2O1,1,100.0,0.0
+O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1ccco1,0,0.0,
+O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1cccs1,0,0.0,
+O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1)c1cccs1,0,0.0,
+O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CC1,0,0.0,
+O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccncc1,0,0.0,
+O=C(Nc1nc(-c2ccccc2)cs1)C1CCCCN1S(=O)(=O)c1ccccc1,0,0.0,
+O=C(Nc1nc(-c2ccccc2)cs1)C1CCCN(S(=O)(=O)c2ccccc2)C1,0,0.0,
+O=C(Nc1nc(-c2ccccc2)cs1)C1CCCO1,0,0.0,
+O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1nc(-c2ccccc2)cs1)c1cccs1,0,0.0,
+O=C(Nc1nc(-c2ccccc2)ns1)c1cccs1,0,0.0,
+O=C(Nc1nc(-c2ccccn2)cs1)C1CC1,0,0.0,
+O=C(Nc1nc(-c2ccccn2)cs1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)s1,0,0.0,
+O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1,0,0.0,
+O=C(Nc1nc(-c2ccco2)cs1)c1ccccc1,0,0.0,
+O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccco1,0,0.0,
+O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)s1,0,0.0,
+O=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCCC2)c1,0,0.0,
+O=C(Nc1nc(-c2ccncc2)cs1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(Nc1nc(-c2ccncc2)cs1)c1ccco1,0,0.0,
+O=C(Nc1nc(-c2nc3ccccc3s2)cs1)C1CC1,0,0.0,
+O=C(Nc1nc(-c2nc3ccccc3s2)cs1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccco1,0,0.0,
+O=C(Nc1nc(=O)c2ccccc2s1)c1ccccc1,0,0.0,
+O=C(Nc1nc(NC(=O)c2ccco2)n(-c2ccccc2)n1)c1ccccc1,0,0.0,
+O=C(Nc1nc(SCc2ccc(F)cc2)ns1)c1ccco1,0,0.0,
+O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccco1,0,0.0,
+O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccco1,0,0.0,
+O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccccc1,0,0.0,
+O=C(Nc1nc2c(s1)CCCC2)C1CCCN1C(=O)c1cccs1,0,0.0,
+O=C(Nc1nc2c(s1)CCCC2)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1nc2c(s1)CCCC2)Oc1ccccc1,0,0.0,
+O=C(Nc1nc2c(s1)CCCC2)c1cc2n(n1)C(C(F)(F)F)CC(C1CC1)N2,0,0.0,
+O=C(Nc1nc2c(s1)CCCC2)c1ccc(Br)o1,0,0.0,
+O=C(Nc1nc2c(s1)CCCC2)c1ccc(Br)s1,0,0.0,
+O=C(Nc1nc2c(s1)CCCC2)c1ccc2ncsc2c1,0,0.0,
+O=C(Nc1nc2c(s1)CCCC2)c1cccnc1,0,0.0,
+O=C(Nc1nc2c(s1)CCCC2)c1cccs1,0,0.0,
+O=C(Nc1nc2c(s1)CCCC2=O)c1cnccn1,0,0.0,
+O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccco1,0,0.0,
+O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccs1,0,0.0,
+O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccs1,0,0.0,
+O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1nc2cc3c(cc2s1)OCO3)C1=COCCO1,0,0.0,
+O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)o1,0,0.0,
+O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)C1CCCCC1,0,0.0,
+O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)C1CCCO1,0,0.0,
+O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1cccs1,0,0.0,
+O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)C1CCCO1,0,0.0,
+O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1ccncc1,0,0.0,
+O=C(Nc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1,0,0.0,
+O=C(Nc1nc2ccccc2[nH]1)C1CCCO1,0,0.0,
+O=C(Nc1nc2ccccc2[nH]1)c1ccc(F)cc1,0,0.0,
+O=C(Nc1nc2ccccc2[nH]1)c1ccccc1F,0,0.0,
+O=C(Nc1nc2ccccc2n1CCN1CCCC1)C1CCCCC1,0,0.0,
+O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc(Cl)cc1,0,0.0,
+O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1ccco1,0,0.0,
+O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1,0,0.0,
+O=C(Nc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccco1,0,0.0,
+O=C(Nc1nc2ccccc2n1CCOc1ccccc1)c1ccco1,0,0.0,
+O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1,0,0.0,
+O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1,0,0.0,
+O=C(Nc1nc2ccccc2s1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+O=C(Nc1nc2ccccc2s1)C1CCCO1,0,0.0,
+O=C(Nc1nc2ccccc2s1)c1ccc(Cl)s1,0,0.0,
+O=C(Nc1nc2n(n1)C(c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)N2)c1ccco1,0,0.0,
+O=C(Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2)c1ccco1,0,0.0,
+O=C(Nc1nc2n(n1)C(c1ccccc1)CC(c1ccc(Cl)cc1)N2)c1ccco1,0,0.0,
+O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccco1,0,0.0,
+O=C(Nc1ncc(Br)s1)C(Cc1ccccc1)n1cccc1,0,0.0,
+O=C(Nc1ncc(Br)s1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,0,0.0,
+O=C(Nc1ncc(C(F)(F)F)cc1Cl)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1ncc(Cc2ccccc2)s1)C1CCCO1,0,0.0,
+O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1,0,0.0,
+O=C(Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O)c1ccco1,0,0.0,
+O=C(Nc1ncc2c(n1)CC(c1ccccc1)CC2=O)c1ccco1,0,0.0,
+O=C(Nc1ncc2c(n1)CC(c1ccco1)CC2=O)c1ccc(Cl)cc1,0,0.0,
+O=C(Nc1ncc2c(n1)CC(c1ccco1)CC2=O)c1ccccc1,0,0.0,
+O=C(Nc1ncccc1Cl)c1cccc(F)c1,0,0.0,
+O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1,0,0.0,
+O=C(Nc1ncccn1)C1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C(Nc1ncccn1)c1cccs1,0,0.0,
+O=C(Nc1nccs1)C(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1,0,0.0,
+O=C(Nc1nccs1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(Nc1nccs1)C12CC3CC(C1)CC(C(=O)Nc1nccs1)(C3)C2,0,0.0,
+O=C(Nc1nccs1)C1C2/C=C\CCCCC21,0,0.0,
+O=C(Nc1nccs1)C1C2CC3OC(=O)C1C3C2,0,0.0,
+O=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+O=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccnc2)C1,0,0.0,
+O=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+O=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+O=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,0,0.0,
+O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1,0,0.0,
+O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cccnc2)CC1,0,0.0,
+O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,0,0.0,
+O=C(Nc1nccs1)NC(C(F)(F)F)C(F)(F)F,0,0.0,
+O=C(Nc1nccs1)NC1CCCCC1,0,0.0,
+O=C(Nc1nccs1)Oc1ccccc1,0,0.0,
+O=C(Nc1nccs1)c1c(O)c2cccc3c2n(c1=O)CCC3,0,0.0,
+O=C(Nc1nccs1)c1cc(N2CCOCC2)nc2ccccc12,0,0.0,
+O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl,0,0.0,
+O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,0,0.0,
+O=C(Nc1nccs1)c1cc2sccc2n1Cc1ccc(F)cc1,0,0.0,
+O=C(Nc1nccs1)c1ccc(COc2ccc(Cl)cc2)o1,0,0.0,
+O=C(Nc1nccs1)c1ccc(COc2ccc(F)cc2)o1,0,0.0,
+O=C(Nc1nccs1)c1ccc(COc2ccccc2Br)o1,0,0.0,
+O=C(Nc1nccs1)c1ccc(CSc2nnnn2-c2ccccc2)cc1,0,0.0,
+O=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1nccs1)c1ccc(Cl)s1,0,0.0,
+O=C(Nc1nccs1)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(Nc1nccs1)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1,0,0.0,
+O=C(Nc1nccs1)c1ccc(S(=O)(=O)NCc2cccs2)cc1,0,0.0,
+O=C(Nc1nccs1)c1ccc(S(=O)(=O)c2ccccc2)cc1,0,0.0,
+O=C(Nc1nccs1)c1ccc2nccnc2c1,0,0.0,
+O=C(Nc1nccs1)c1cccc(NC(=O)C2CC2)c1,0,0.0,
+O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1nccs1)c1nc(-c2ccccc2)n(-c2ccccc2)n1,0,0.0,
+O=C(Nc1ncn[nH]1)c1c(Cl)ccc(Cl)c1Cl,0,0.0,
+O=C(Nc1ncnc2c1CCC2)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(Nc1ncnc2c1ncn2C1OC(COC(=O)c2ccccc2)C(F)C1O)c1ccccc1,0,0.0,
+O=C(Nc1ncnc2sc3c(c12)CCC3)c1ccco1,0,0.0,
+O=C(Nc1ncnc2sc3c(c12)CCCCC3)c1ccco1,1,100.0,
+O=C(Nc1nn(Cc2ccccc2F)cc1Br)c1cccs1,0,0.0,
+O=C(Nc1nn[nH]n1)c1cccc(Oc2ccccc2)c1,0,0.0,
+O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1CCCCC1,0,0.0,
+O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Br,0,0.0,
+O=C(Nc1nnc(-c2ccc(Cl)s2)o1)C1CCCCC1,0,0.0,
+O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccco1,0,0.0,
+O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)C1CCCCC1,0,0.0,
+O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccccc1Cl,0,0.0,
+O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc(Cc2ccccc2)cc1,0,0.0,
+O=C(Nc1nnc(-c2ccccc2)o1)NC1CCCCC1,0,0.0,
+O=C(Nc1nnc(-c2ccccc2)o1)Nc1ccccc1Cl,0,0.0,
+O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1,0,0.0,
+O=C(Nc1nnc(-c2ccccc2)o1)c1nc2ccccc2s1,0,0.0,
+O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cccnc1,0,0.0,
+O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccco1,0,0.0,
+O=C(Nc1nnc(-c2ccco2)o1)C1CCCCC1,0,0.0,
+O=C(Nc1nnc(-c2ccco2)s1)C1CC1,0,0.0,
+O=C(Nc1nnc(-c2ccco2)s1)C1CCCCC1,0,0.0,
+O=C(Nc1nnc(-c2ccco2)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1,0,0.0,
+O=C(Nc1nnc(-c2cccs2)o1)c1cccc(C(F)(F)F)c1,0,0.0,
+O=C(Nc1nnc(-c2cccs2)o1)c1cccc(F)c1,0,0.0,
+O=C(Nc1nnc(-c2cccs2)o1)c1cccc(Oc2ccccc2)c1,0,0.0,
+O=C(Nc1nnc(-c2cccs2)o1)c1ccco1,0,0.0,
+O=C(Nc1nnc(-c2ccncc2)s1)C1CCCO1,0,0.0,
+O=C(Nc1nnc(/N=C/c2ccco2)s1)c1ccc(F)cc1,0,0.0,
+O=C(Nc1nnc(C(F)(F)F)s1)c1cccnc1,0,0.0,
+O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccco1,0,0.0,
+O=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,0,0.0,
+O=C(Nc1nnc(C2CC2)s1)C1Cc2ccccc2CN1S(=O)(=O)c1cccs1,0,0.0,
+O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccccc2)nn1-c1ccccc1,0,0.0,
+O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1,0,0.0,
+O=C(Nc1nnc(C2CCCC2)s1)C1CCC1,0,0.0,
+O=C(Nc1nnc(C2CCCC2)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Br)s1,0,0.0,
+O=C(Nc1nnc(C2CCCCC2)s1)c1ccco1,0,0.0,
+O=C(Nc1nnc(C2CCCCC2)s1)c1cccs1,0,0.0,
+O=C(Nc1nnc(C2CCCO2)s1)c1cccs1,0,0.0,
+O=C(Nc1nnc(CC(=O)N2CCOCC2)s1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1nnc(CC(=O)N2CCOCC2)s1)c1cccs1,0,0.0,
+O=C(Nc1nnc(CC2=CCCCC2)s1)c1cccs1,0,0.0,
+O=C(Nc1nnc(CCN2CCCCC2)s1)C1CCCCC1,0,0.0,
+O=C(Nc1nnc(CCN2CCOCC2)s1)C1CCCCC1,0,0.0,
+O=C(Nc1nnc(CCc2ccccc2)s1)C1CCCO1,0,0.0,
+O=C(Nc1nnc(CCc2ccccc2)s1)c1ccco1,0,0.0,
+O=C(Nc1nnc(CCc2ccccc2)s1)c1cccs1,0,0.0,
+O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C1CCCO1,0,0.0,
+O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cccs1,0,0.0,
+O=C(Nc1nnc(COc2ccc(F)cc2)s1)c1cccs1,0,0.0,
+O=C(Nc1nnc(COc2ccccc2)s1)c1ccco1,0,0.0,
+O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1,0,0.0,
+O=C(Nc1nnc(N2CCCCCC2)s1)c1cc(-c2ccc(Br)cc2)on1,0,0.0,
+O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)C1CCCCC1,0,0.0,
+O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1cccs1,0,0.0,
+O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccco1,0,0.0,
+O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccco1,0,0.0,
+O=C(Nc1nnc(SCc2ccccc2)s1)c1cccs1,0,0.0,
+O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccco1,0,0.0,
+O=C(Nc1nncs1)C1(c2ccccc2)CCCC1,0,0.0,
+O=C(Nc1nncs1)C1COc2ccccc2O1,0,0.0,
+O=C(Nc1nncs1)C1c2ccccc2Oc2ccccc21,0,0.0,
+O=C(Nc1nncs1)Oc1ccccc1,0,0.0,
+O=C(Nc1nncs1)c1c(F)c(F)c(F)c(F)c1F,1,100.0,
+O=C(Nc1nncs1)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(Nc1nncs1)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1,0,0.0,
+O=C(Nc1nncs1)c1ccc(S(=O)(=O)c2ccccc2)cc1,0,0.0,
+O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(Nc1nncs1)c1ccccc1Br,0,0.0,
+O=C(Nc1nncs1)c1ccccc1NS(=O)(=O)c1cccs1,0,0.0,
+O=C(Nc1nonc1NC(=O)C1CCCCC1)C1CCCCC1,0,0.0,
+O=C(Nc1nsc(-c2ccccc2)n1)c1cccs1,0,0.0,
+O=C(Nc1nsc(-c2ccccc2)n1)c1ccncc1,0,0.0,
+O=C(Nc1sc2c(c1C(=O)NC1CC1)CCCCCC2)c1ccco1,0,0.0,
+O=C(Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2)c1ccco1,0,0.0,
+O=C(Nc1sc2c(c1C(=O)NCC1CCCO1)CCCC2)c1cccs1,0,0.0,
+O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2)c1ccco1,0,0.0,
+O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2)c1ccc2c(c1)OCO2,0,0.0,
+O=C(Nc1sc2c(c1C(=O)O)CCC2)c1cccs1,0,0.0,
+O=C(Nc1sc2c(c1C(=O)O)CCCC2)c1cccs1,0,0.0,
+O=C(Nc1sc2c(c1C(=O)O)CCCCC2)c1ccco1,0,0.0,
+O=C(Nc1scc(-c2ccc(F)cc2)c1C(=O)O)c1ccco1,0,0.0,
+O=C(Nc1scc(-c2ccccc2)c1C(=O)O)c1ccco1,0,0.0,
+O=C(Nc1scc(-c2cccs2)c1C(=O)O)c1cccs1,0,0.0,
+O=C(Nc1sccc1C(=O)N1CCOCC1)c1cccnc1,1,100.0,0.0
+O=C(Nc1sccc1C(=O)NCc1ccco1)c1cccnc1,0,0.0,
+O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)C1CCC1,0,0.0,
+O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccco1,0,0.0,
+O=C(Nn1c(=O)[nH]c2ccsc2c1=O)c1ccccc1,0,0.0,
+O=C(Nn1c(=S)[nH]c2ccccc2c1=O)c1ccncc1,0,0.0,
+O=C(Nn1c(C2CC2)nc2ccccc2c1=O)c1ccco1,0,0.0,
+O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)C1CCC1,0,0.0,
+O=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1cccs1,0,0.0,
+O=C(Nn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)c1cnccn1,0,0.0,
+O=C(Nn1cnc2ccccc2c1=O)C1CCCCC1,0,0.0,
+O=C(Nn1cnc2ccccc2c1=O)c1ccc(F)cc1Cl,0,0.0,
+O=C(Nn1cnc2ccccc2c1=O)c1ccccc1Cl,0,0.0,
+O=C(Nn1cnnc1)C(Sc1ccccc1)c1ccccc1,0,0.0,
+O=C(Nn1cnnc1)C(c1ccccc1)c1ccccc1,0,0.0,
+O=C(Nn1cnnc1)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1,0,0.0,
+O=C(Nn1cnnc1)c1cc(-c2ccccn2)nc2ccccc12,0,0.0,
+O=C(Nn1cnnc1)c1cc2c(s1)CCCC2,0,0.0,
+O=C(Nn1cnnc1)c1cc2c(s1)CCCCC2,0,0.0,
+O=C(Nn1cnnc1)c1cc2cc(Br)ccc2oc1=O,0,0.0,
+O=C(Nn1cnnc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(Nn1cnnc1)c1ccccc1-c1ccccc1,0,0.0,
+O=C(Nn1cnnc1)c1ccncc1,0,0.0,
+O=C(Nn1cnnc1)c1csc2ccccc12,0,0.0,
+O=C(Nn1nnnc1Nc1ccccc1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(O)/C(=C1/OC(=O)c2ccccc21)c1ccccc1,0,0.0,
+O=C(O)/C=C/c1ccc(O)c(O)c1,0,0.0,
+O=C(O)/C=C1\NC(=O)c2ccccc21,0,0.0,
+O=C(O)C(CCCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+O=C(O)C(CCCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2nsnc12,0,0.0,
+O=C(O)C(Cc1cc2ccccc2[nH]1)N1C(=O)C2CC=C(Cl)CC2C1=O,0,0.0,
+O=C(O)C(Cc1ccccc1)n1cccc1,0,0.0,
+O=C(O)C(Cc1ccccc1)n1cnnn1,0,0.0,
+O=C(O)C(F)(F)S(=O)(=O)O,0,0.0,
+O=C(O)C(O)(c1ccccc1)C1CCCC1,0,0.0,
+O=C(O)C(O)c1ccco1,0,0.0,
+O=C(O)C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1,0,0.0,
+O=C(O)C(c1ccccc1)C1(O)CCCC1,0,0.0,
+O=C(O)C(c1ccccc1)N1CCCC1,0,0.0,
+O=C(O)C1(NS(=O)(=O)c2ccc(F)c(Cl)c2)CCCCC1,0,0.0,
+O=C(O)C1(c2ccc(Cl)cc2)CCC1,0,0.0,
+O=C(O)C1(c2cccc(Cl)c2)CCC1,0,0.0,
+O=C(O)C12C3CCCC1C32c1ccccc1,0,0.0,
+O=C(O)C12CC3CC(C1)CC(n1cnc(Cl)n1)(C3)C2,0,0.0,
+O=C(O)C1=C(C(=O)N2CCN(C(=O)c3ccco3)CC2)CCCC1,0,0.0,
+O=C(O)C1=C(C(=O)Nc2ccc(F)c(Cl)c2)CCCC1,0,0.0,
+O=C(O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1,0,0.0,
+O=C(O)C1C(c2ccccc2)C(C(=O)OCCCO)C1c1ccccc1,0,0.0,
+O=C(O)C1C(c2ccccc2)C(C(=O)Oc2ccc(O)cc2)C1c1ccccc1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)N1CCN(CCO)CC1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)N1CCOCC1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)N1CCc2ccccc21,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)NC1CCS(=O)(=O)C1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)NCCC1=CCCCC1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)NCCCN1CCOCC1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)NCCCn1ccnc1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)NCCOCc1ccccc1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)NCCc1cccc(Cl)c1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)NCCc1ccccc1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)NCCc1ccncc1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)NCc1ccccn1,1,100.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)NCc1ccoc1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)Nc1cccc(F)c1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)OC1CC2CCC1C2,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)OCC1CCCO1,0,0.0,
+O=C(O)C1C2C=CC(C2)C1C(=O)OCc1ccccc1,0,0.0,
+O=C(O)C1C2C=CC(C3CC23)C1C(=O)NCCc1ccccc1,0,0.0,
+O=C(O)C1C2C=CC(O2)C1C(=O)NC1CCCc2ccccc21,0,0.0,
+O=C(O)C1C2C=CC(O2)C1C(=O)NCCC1=CCCCC1,0,0.0,
+O=C(O)C1C2C=CC(O2)C1C(=O)NCCCn1ccnc1,0,0.0,
+O=C(O)C1C2C=CC(O2)C1C(=O)NCc1ccc(Cl)cc1,0,0.0,
+O=C(O)C1C2C=CC(O2)C1C(=O)NCc1ccc2c(c1)OCO2,0,0.0,
+O=C(O)C1C2C=CC(O2)C1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1,0,0.0,
+O=C(O)C1C2C=CC(O2)C1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1,0,0.0,
+O=C(O)C1C2C=CC(O2)C1C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(O)C1C2C=CC(O2)C1C(=O)Nc1ccccc1C(F)(F)F,0,0.0,
+O=C(O)C1C2C=CC3(CN(C4CCCC4)C(=O)C13)O2,0,0.0,
+O=C(O)C1C2C=CC3(CN(CC(O)COc4ccccc4)C(=O)C13)O2,0,0.0,
+O=C(O)C1C2C=CC3(CN(Cc4ccccn4)C(=O)C13)O2,0,0.0,
+O=C(O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2,0,0.0,
+O=C(O)C1C2C=CC3(CN(c4cccc(C(F)(F)F)c4)C(=O)C13)O2,0,0.0,
+O=C(O)C1C2C=CC3(O2)C1C(=O)N1c2ccccc2C2OCCC2C13,0,0.0,
+O=C(O)C1C2C=CC3(O2)C1C(=O)N1c2ccccc2COC13,0,0.0,
+O=C(O)C1C2CCC(C2)C1C(=O)NCCCn1ccnc1,0,0.0,
+O=C(O)C1C2CCC(C2)C1C(=O)NCc1ccccn1,0,0.0,
+O=C(O)C1C2CCC(C2)C1C(=O)NCc1ccco1,0,0.0,
+O=C(O)C1C2CCC(C2)C1C(=O)Nc1cc(F)ccc1F,0,0.0,
+O=C(O)C1C2CCC(C2)C1C(=O)Nc1nc2ccccc2s1,0,0.0,
+O=C(O)C1C2CCC(O2)C1C(=O)NCCC1=CCCCC1,0,0.0,
+O=C(O)C1C2CCC(O2)C1C(=O)NCc1ccncc1,0,0.0,
+O=C(O)C1C2CCC(O2)C1C(=O)Nc1cccc(F)c1,0,0.0,
+O=C(O)C1C2CCCCC2=C2CCCCC2C1C(=O)O,0,0.0,
+O=C(O)C1CC(=O)N(C2CCCCCC2)C1,0,0.0,
+O=C(O)C1CC(=O)N(CCOc2ccccc2)C1,0,0.0,
+O=C(O)C1CC(=O)N(CCc2c[nH]c3ccccc23)C1,0,0.0,
+O=C(O)C1CC(=O)N(Cc2ccc(F)cc2)C1,0,0.0,
+O=C(O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)C1,0,0.0,
+O=C(O)C1CC(=O)N(Cc2ccccc2)C1,0,0.0,
+O=C(O)C1CC(=O)N(Cc2cccnc2)C1,0,0.0,
+O=C(O)C1CC(=O)N(Cc2cccs2)C1,0,0.0,
+O=C(O)C1CC(=O)N(c2ccc(Br)cc2)C1,0,0.0,
+O=C(O)C1CC(=O)N(c2ccc(F)c(F)c2)C1,0,0.0,
+O=C(O)C1CC(=O)N(c2ccc(F)cc2)C1,0,0.0,
+O=C(O)C1CC(=O)N(c2ccc(OCc3c(F)cccc3Cl)cc2)C1,0,0.0,
+O=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1,0,0.0,
+O=C(O)C1CC(=O)n2c(nc3ccccc32)S1,0,0.0,
+O=C(O)C1CC(c2cccc(Br)c2)=NO1,0,0.0,
+O=C(O)C1CC(c2ccccc2F)=NO1,0,0.0,
+O=C(O)C1CC1c1ccc(Br)cc1,0,0.0,
+O=C(O)C1CC=C(Cl)CC1C(=O)NCC1OCCc2ccccc21,0,0.0,
+O=C(O)C1CC=C(Cl)CC1C(=O)NCc1ccccc1,0,0.0,
+O=C(O)C1CC=CCC1C(=O)N1CCCC1,0,0.0,
+O=C(O)C1CC=CCC1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1,0,0.0,
+O=C(O)C1CC=CCC1C(=O)NCc1ccccc1,0,0.0,
+O=C(O)C1CC=CCC1C(=O)NCc1cn2ccccc2n1,0,0.0,
+O=C(O)C1CC=CCC1C(=O)Nc1cc(Cl)ccc1Cl,0,0.0,
+O=C(O)C1CC=CCC1C(=O)Nc1ccc(F)c(F)c1,0,0.0,
+O=C(O)C1CC=CCC1C(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,0,0.0,
+O=C(O)C1CC=CCC1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1,0,0.0,
+O=C(O)C1CC=CCC1C(=O)Nc1cccc(Cl)c1,0,0.0,
+O=C(O)C1CC=CCC1C(=O)Nc1cccc(Cl)c1Cl,0,0.0,
+O=C(O)C1CC=CCC1C(=O)Nc1cccc(F)c1,0,0.0,
+O=C(O)C1CC=CCC1C(=O)Nc1ccccc1Cl,0,0.0,
+O=C(O)C1CCC(=O)N1C1CCCC1,0,0.0,
+O=C(O)C1CCC(=O)N1C1c2ccccc2Oc2ccccc21,0,0.0,
+O=C(O)C1CCC(=O)N1Cc1ccccc1Cl,0,0.0,
+O=C(O)C1CCC(CNCc2cccnc2)CC1,0,0.0,
+O=C(O)C1CCCCC1C(=O)N1CC=C(c2ccccc2)CC1,0,0.0,
+O=C(O)C1CCCCC1C(=O)NC1CCCCC1,0,0.0,
+O=C(O)C1CCCCC1C(=O)NCCCCc1ccccc1,0,0.0,
+O=C(O)C1CCCCC1C(=O)NCCCN1CCOCC1,0,0.0,
+O=C(O)C1CCCCC1C(=O)NCCCc1ccccc1,0,0.0,
+O=C(O)C1CCCCC1C(=O)NCCc1c[nH]c2ccccc12,0,0.0,
+O=C(O)C1CCCCC1C(=O)NCCc1ccc(Cl)cc1,0,0.0,
+O=C(O)C1CCCCC1C(=O)NCCc1cccc(Cl)c1,0,0.0,
+O=C(O)C1CCCCC1C(=O)NCCc1ccccc1,0,0.0,
+O=C(O)C1CCCCC1C(=O)NCCc1ccncc1,0,0.0,
+O=C(O)C1CCCCC1C(=O)NCc1ccc(F)cc1,0,0.0,
+O=C(O)C1CCCCC1C(=O)NCc1cn2ccccc2n1,0,0.0,
+O=C(O)C1CCCCC1C(=O)Nc1ccc(Cl)cc1,0,0.0,
+O=C(O)C1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl,0,0.0,
+O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+O=C(O)C1CCCCC1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1,0,0.0,
+O=C(O)C1CCCCC1C(=O)Nc1ccccc1F,0,0.0,
+O=C(O)C1CCCCC1C(=O)Nc1ccccc1Nc1ccccc1,0,0.0,
+O=C(O)C1CCCCC1C(=O)Nc1ccccn1,0,0.0,
+O=C(O)C1CCCCC1C(=O)Nc1cnn(Cc2ccccc2)c1,0,0.0,
+O=C(O)C1CCCCC1C(=O)Nc1nc(-c2cccs2)cs1,0,0.0,
+O=C(O)C1CCCCC1C(=O)Nc1nccs1,0,0.0,
+O=C(O)C1CCCCC1C(=O)OCCCCOC(=O)C1CCCCC1C(=O)O,0,0.0,
+O=C(O)C1CCCCN1S(=O)(=O)c1ccc(Cl)s1,0,0.0,
+O=C(O)C1CCCCN1S(=O)(=O)c1cccc2nsnc12,0,0.0,
+O=C(O)C1CCCN(C(=O)NCc2ccccc2)C1,0,0.0,
+O=C(O)C1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1,0,0.0,
+O=C(O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,0,0.0,
+O=C(O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+O=C(O)C1CCCN1C(=O)Nc1ccc(F)cc1,0,0.0,
+O=C(O)C1CCCN1C(=O)Nc1ccccc1,0,0.0,
+O=C(O)C1CCCN1C(=O)OCc1ccccc1,0,0.0,
+O=C(O)C1CCCN1C(=O)Oc1ccccc1,0,0.0,
+O=C(O)C1CCCN1C(=O)c1cccs1,0,0.0,
+O=C(O)C1CCCN1C(=O)c1cncc(Br)c1,0,0.0,
+O=C(O)C1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl,0,0.0,
+O=C(O)C1CCCN1S(=O)(=O)c1ccc(Br)s1.O=C(O)[C@@H]1CCCN1,0,0.0,
+O=C(O)C1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C(O)C1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2,0,0.0,
+O=C(O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1,0,0.0,
+O=C(O)C1CCCN1c1ncccn1,0,0.0,
+O=C(O)C1CCCN1c1ncnc2c1oc1ccccc12,0,0.0,
+O=C(O)C1CCCN1c1ncnc2ccccc12,0,0.0,
+O=C(O)C1CCN(C(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1,0,0.0,
+O=C(O)C1CCN(C(=O)NC2CCCCC2)CC1,0,0.0,
+O=C(O)C1CCN(C(=O)c2ccccc2C(=O)N2CCC(C(=O)O)CC2)CC1,0,0.0,
+O=C(O)C1CCN(C(=O)c2scc3c2OCCO3)CC1,0,0.0,
+O=C(O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1,0,0.0,
+O=C(O)C1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(O)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1,0,0.0,
+O=C(O)C1CCN(S(=O)(=O)c2cccnc2)CC1,0,0.0,
+O=C(O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1,0,0.0,
+O=C(O)C1CCN(c2ncccn2)CC1,0,0.0,
+O=C(O)C1CCN1C1CCCCC1,0,0.0,
+O=C(O)C1CN2CCC1CC2,0,0.0,
+O=C(O)C1CSC(CCc2ccccc2)N1,0,0.0,
+O=C(O)C1CSC(c2ccccc2)N1C(=O)c1ccco1,0,0.0,
+O=C(O)C1CSC(c2cccnc2)N1,0,0.0,
+O=C(O)C1CSC(c2ccncc2)N1,0,0.0,
+O=C(O)C1CSC2(CCN(Cc3ccccc3)CC2)N1,0,0.0,
+O=C(O)C1CSC2(c3ccc4c(c3)OCCO4)CCC(=O)N12,0,0.0,
+O=C(O)C1CSC2c3ccccc3C(=O)N12,0,0.0,
+O=C(O)C1CSCN1S(=O)(=O)c1cccc2nsnc12,0,0.0,
+O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc3c(c2)OCO3)N1,0,0.0,
+O=C(O)C1Cc2ccccc2CN1C(=O)c1ccccc1,0,0.0,
+O=C(O)C1NCCc2ccccc21,0,0.0,
+O=C(O)C1Nc2c(C(=O)N3CCOCC3)cccc2C2C=CCC12,1,100.0,
+O=C(O)C1OC(C(=O)O)C2C1C(F)(F)C2(F)F,0,0.0,
+O=C(O)C1Sc2[nH]c(=O)sc2C2c3cc(Cl)ccc3OC(=O)C12,0,0.0,
+O=C(O)C1[C@H]2C(=O)N(C3CCCC3)C[C@]23C=C[C@H]1O3,0,0.0,
+O=C(O)C1[C@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3,0,0.0,
+O=C(O)C=C1C2CC3CC(C2)CC1C3,0,0.0,
+O=C(O)CC(C(=O)N(c1ccccc1)c1ccccc1)N1CCOCC1,0,0.0,
+O=C(O)CC(C(=O)NC1CCCCC1)C1CCCO1,0,0.0,
+O=C(O)CC(C(=O)NCc1ccccc1)C1CCCO1,0,0.0,
+O=C(O)CC(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCO1,0,0.0,
+O=C(O)CC(C(=O)O)c1cn(Cc2ccccc2)c2ccccc12,0,0.0,
+O=C(O)CC(C(=O)OC1CCCCC1)N1CCOCC1,0,0.0,
+O=C(O)CC(C(=O)OCC1CCCO1)N1CCOCC1,0,0.0,
+O=C(O)CC(C(=O)OCCOc1ccccc1)N1CCOCC1,0,0.0,
+O=C(O)CC(CC(=O)Nc1nncs1)c1ccccc1,0,0.0,
+O=C(O)CC(CNS(=O)(=O)c1ccccc1)c1ccccc1,0,0.0,
+O=C(O)CC(CP(=O)(c1ccccc1)c1ccccc1)C(=O)O,0,0.0,
+O=C(O)CC(Cc1ccc(Br)cc1)C(=O)O,0,0.0,
+O=C(O)CC(Cc1ccccc1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(O)CC(Cn1cnnn1)c1ccccc1,0,0.0,
+O=C(O)CC(NC(=O)C(c1ccccc1)c1ccccc1)c1ccco1,0,0.0,
+O=C(O)CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O,0,0.0,
+O=C(O)CC(NC(=O)OCc1ccccc1)c1ccccc1,0,0.0,
+O=C(O)CC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O,0,0.0,
+O=C(O)CC(NCc1ccco1)C(=O)OCC1CCCO1,0,0.0,
+O=C(O)CC(NCc1ccco1)C(=O)OCCc1ccccc1,0,0.0,
+O=C(O)CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccco1,0,0.0,
+O=C(O)CC(NS(=O)(=O)c1cccc2nsnc12)c1ccc(F)cc1,0,0.0,
+O=C(O)CC(O)C(=O)O,0,0.0,
+O=C(O)CC(SCc1ccc(C(=O)O)o1)C(=O)O,0,0.0,
+O=C(O)CC(c1ccc(Cl)cc1)N1C(=O)CCC1=O,0,0.0,
+O=C(O)CC(c1ccc(Cl)cc1)n1cccc1,0,0.0,
+O=C(O)CC(c1ccccc1)c1ccccc1,0,0.0,
+O=C(O)CC(c1ccccc1)n1cccc1,0,0.0,
+O=C(O)CC(c1ccccc1)n1cnnn1,0,0.0,
+O=C(O)CC1(Cc2nc(-c3cccs3)no2)CCCC1,0,0.0,
+O=C(O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O,0,0.0,
+O=C(O)CC12CSc3[nH]c(=O)sc3C1c1ccccc1OC2=O,0,0.0,
+O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1,0,0.0,
+O=C(O)CC1C(=O)NCCN1C/C=C/c1ccccc1,0,0.0,
+O=C(O)CC1C(=O)NCCN1CCCc1ccccc1,0,0.0,
+O=C(O)CC1C(=O)NCCN1Cc1ccc(F)c(F)c1,1,100.0,
+O=C(O)CC1C(=O)OCN1C(=O)OCc1ccccc1,0,0.0,
+O=C(O)CC1CCC(=C(Cl)Cl)C1,0,0.0,
+O=C(O)CC1CCCC(c2ccccc2)C1=O,0,0.0,
+O=C(O)CC1CCS(=O)(=O)C1,0,0.0,
+O=C(O)CC1NC(=O)N(c2ccc(Cl)cc2)C1=O,0,0.0,
+O=C(O)CC1NC(=O)N(c2ccccc2)C1=O,0,0.0,
+O=C(O)CC1Oc2ccc(Cl)cc2NC1=O,0,0.0,
+O=C(O)CC1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O,0,0.0,
+O=C(O)CC1SC(=Nc2cccc(O)c2)NC1=O,0,0.0,
+O=C(O)CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O,0,0.0,
+O=C(O)CC1SC(=O)N(Cc2ccccc2)C1=O,0,0.0,
+O=C(O)CC1SC(=O)NC1=O,0,0.0,
+O=C(O)CC1Sc2ccccc2NC1=O,0,0.0,
+O=C(O)CC1Sc2nc3ccccc3n2C1=O,0,0.0,
+O=C(O)CCC(=O)CCC(=O)c1ccc(Cl)cc1,0,0.0,
+O=C(O)CCC(=O)CCC(=O)c1ccccc1,0,0.0,
+O=C(O)CCC(=O)N(Cc1cccnc1)Cc1cccc(F)c1,0,0.0,
+O=C(O)CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1,0,0.0,
+O=C(O)CCC(=O)N(Cc1cccs1)Cc1cccs1,0,0.0,
+O=C(O)CCC(=O)N1CCC(C(=O)c2cccc(Cl)c2)CC1,0,0.0,
+O=C(O)CCC(=O)N1CCN(c2ccc(C(=O)c3ccc(F)cc3)cc2)CC1,0,0.0,
+O=C(O)CCC(=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(O)CCC(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(O)CCC(=O)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+O=C(O)CCC(=O)N1CCOc2ccc(Cl)cc21,0,0.0,
+O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)ccc21,0,0.0,
+O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc21,0,0.0,
+O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0.0,
+O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21,0,0.0,
+O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21,0,0.0,
+O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21,0,0.0,
+O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccs3)ccc21,0,0.0,
+O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21,0,0.0,
+O=C(O)CCC(=O)NC1CCCCC1NC(=O)CCC(=O)O,0,0.0,
+O=C(O)CCC(=O)NC1CCCCCCC1,0,0.0,
+O=C(O)CCC(=O)NCC1OCCc2ccccc21,0,0.0,
+O=C(O)CCC(=O)NCCn1c(-c2ccccc2)csc1=Nc1ccccc1,0,0.0,
+O=C(O)CCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3,0,0.0,
+O=C(O)CCC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+O=C(O)CCC(=O)Nc1ccc(Br)cn1,0,0.0,
+O=C(O)CCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1,0,0.0,
+O=C(O)CCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)O)c1,0,0.0,
+O=C(O)CCC(=O)Nc1ccc(N2CCCCCC2)cc1,0,0.0,
+O=C(O)CCC(=O)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,1,100.0,0.0
+O=C(O)CCC(=O)Nc1ccc2c(c1)oc1ccccc12,0,0.0,
+O=C(O)CCC(=O)Nc1ccccc1C(=O)NC1CCCCC1,0,0.0,
+O=C(O)CCC(=O)Nc1ccccc1N1CCOCC1,0,0.0,
+O=C(O)CCC(=O)Nc1nc(-c2ccccc2)cs1,0,0.0,
+O=C(O)CCC(=O)Nc1nnc(C(F)(F)F)s1,0,0.0,
+O=C(O)CCC(=O)OC1CC2CCC1C2,0,0.0,
+O=C(O)CCC(=O)OCC1CCCO1,0,0.0,
+O=C(O)CCC(=O)c1c[nH]c2ccccc12,0,0.0,
+O=C(O)CCC(=O)c1ccc2c(c1)OCCCO2,0,0.0,
+O=C(O)CCC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(O)CCC(=O)c1cccc2ccccc12,0,0.0,
+O=C(O)CCC(C(=O)O)n1c(O)c(C2=c3ccccc3=NC2=O)sc1=S,0,0.0,
+O=C(O)CCC(NC(=O)OCc1ccccc1)C(=O)O,0,0.0,
+O=C(O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O,0,0.0,
+O=C(O)CCC(NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)O,0,0.0,
+O=C(O)CCC1(C(=O)O)OCCc2ccccc21,0,0.0,
+O=C(O)CCC1=C2c3ccccc3CCN2C(=O)CC1,0,0.0,
+O=C(O)CCC1COc2ccccc2O1,0,0.0,
+O=C(O)CCCC(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+O=C(O)CCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(O)CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(O)CCCC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1,0,0.0,
+O=C(O)CCCC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,0,0.0,
+O=C(O)CCCC(=O)NCCCCc1ccccc1,0,0.0,
+O=C(O)CCCC(=O)NCCCc1ccccc1,0,0.0,
+O=C(O)CCCC(=O)NCCc1cccc(Cl)c1,0,0.0,
+O=C(O)CCCC(=O)NCCc1ccncc1,0,0.0,
+O=C(O)CCCC(=O)NCc1ccccn1,0,0.0,
+O=C(O)CCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F,0,0.0,
+O=C(O)CCCC(=O)Nc1ccc(Br)cc1C(=O)O,0,0.0,
+O=C(O)CCCC(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1,0,0.0,
+O=C(O)CCCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1,0,0.0,
+O=C(O)CCCC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1,0,0.0,
+O=C(O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+O=C(O)CCCC(=O)Nc1ccc(N2CCCC2)cc1,0,0.0,
+O=C(O)CCCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1,0,0.0,
+O=C(O)CCCC(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(O)CCCC(=O)Nc1cccc2cccnc12,0,0.0,
+O=C(O)CCCC(=O)Nc1ccccc1-n1ccnc1,0,0.0,
+O=C(O)CCCC(=O)Nc1ccccc1Br,0,0.0,
+O=C(O)CCCC(=O)Nc1ccccc1C(=O)N1CCCC1,0,0.0,
+O=C(O)CCCC(=O)Nc1ccccc1C(=O)O,0,0.0,
+O=C(O)CCCC(=O)Nc1ccn(-c2ccccc2)n1,0,0.0,
+O=C(O)CCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1,0,0.0,
+O=C(O)CCCC(=O)Nc1nc(-c2ccccc2)cs1,0,0.0,
+O=C(O)CCCC(=O)Nc1nc2n(n1)C(c1ccc(F)cc1)CC(c1ccc(Cl)cc1)N2,0,0.0,
+O=C(O)CCCC(=O)OCCCCc1cccs1,0,0.0,
+O=C(O)CCCCCCC1C(=O)NC(=O)N1CCC(O)C1CCCCC1,0,0.0,
+O=C(O)CCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccc1,0,0.0,
+O=C(O)CCCCCN1C(=O)CCC1=O,0,0.0,
+O=C(O)CCCCCN1C(=O)CSC1=S,1,100.0,0.0
+O=C(O)CCCCCN1C(=O)c2ccc(C(=O)O)cc2C1=O,0,0.0,
+O=C(O)CCCCCN=C1CCc2ccccc2N1,0,0.0,
+O=C(O)CCCCCNC(=O)CCn1cnc2ccccc2c1=O,0,0.0,
+O=C(O)CCCCCNC(=O)CCn1nnc2ccccc2c1=O,1,100.0,
+O=C(O)CCCCCNC(=O)c1cccc(Br)c1,0,0.0,
+O=C(O)CCCCCNC(=O)c1ccncc1,0,0.0,
+O=C(O)CCCCCNCc1ccncc1,0,0.0,
+O=C(O)CCCCCNS(=O)(=O)c1c(Cl)cccc1Cl,0,0.0,
+O=C(O)CCCCCNS(=O)(=O)c1ccc(Cl)cc1,0,0.0,
+O=C(O)CCCCCNc1nc(=S)[nH]c2ccccc12,0,0.0,
+O=C(O)CCCCCNc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1,0,0.0,
+O=C(O)CCCCCn1c(SCC(=O)N2CCCC2)nc2ccsc2c1=O,0,0.0,
+O=C(O)CCCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1,0,0.0,
+O=C(O)CCCN1C(=O)NC2NC(=O)NC21,0,0.0,
+O=C(O)CCCNC(=O)OCc1ccccc1,0,0.0,
+O=C(O)CCCNC(=O)c1cncc(Br)c1,0,0.0,
+O=C(O)CCCNC1=NCCC1,0,0.0,
+O=C(O)CCCNCc1ccccc1F,0,0.0,
+O=C(O)CCCNS(=O)(=O)c1ccc(Br)s1,0,0.0,
+O=C(O)CCCNS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)O)c1,0,0.0,
+O=C(O)CCCNS(=O)(=O)c1ccc2ccccc2c1,0,0.0,
+O=C(O)CCCNS(=O)(=O)c1cccs1,0,0.0,
+O=C(O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3,0,0.0,
+O=C(O)CCCNc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1C(=O)O,0,0.0,
+O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,0,0.0,
+O=C(O)CCCc1ccccc1,0,0.0,
+O=C(O)CCCc1nc(-c2ccccc2)no1,0,0.0,
+O=C(O)CCCc1nc2ccccc2s1,0,0.0,
+O=C(O)CCCn1c(=O)[nH]c2ccccc2c1=O,0,0.0,
+O=C(O)CCCn1nc(-c2ccccc2)c2ccccc21,0,0.0,
+O=C(O)CCCn1nc(C(F)(F)F)c2c1CCCCC2,0,0.0,
+O=C(O)CCN(CCC(=O)O)S(=O)(=O)c1ccccc1,0,0.0,
+O=C(O)CCN(CCC(=O)O)c1ccccc1,0,0.0,
+O=C(O)CCN(CCC(=O)O)c1nnc(SCc2ccccc2)s1,0,0.0,
+O=C(O)CCN1/C(=C/C=Nc2ccccc2)Oc2ccccc21,0,0.0,
+O=C(O)CCN1C(=O)C(=C2CCCCCC2)SC1=S,0,0.0,
+O=C(O)CCN1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+O=C(O)CCN1C(=O)CC2(CCCCC2)C1=O,0,0.0,
+O=C(O)CCN1C(=O)NC2(CCCC2)C1=O,0,0.0,
+O=C(O)CCN1C(=O)c2ccc(NC(=O)c3cccs3)cc2C1=O,0,0.0,
+O=C(O)CCN1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(O)CCN1C(=O)c2ccncc2C1=O,0,0.0,
+O=C(O)CCN1CCOCC1,0,0.0,
+O=C(O)CCN1CCc2ccccc21,0,0.0,
+O=C(O)CCN1Cc2ccccc2C1=O,0,0.0,
+O=C(O)CCN=C1CCCc2ccccc2N1,0,0.0,
+O=C(O)CCNC(=O)c1ccc(Br)o1,0,0.0,
+O=C(O)CCNC(=O)c1ccccc1,0,0.0,
+O=C(O)CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1,0,0.0,
+O=C(O)CCNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2,0,0.0,
+O=C(O)CCNS(=O)(=O)c1ccccc1,0,0.0,
+O=C(O)CCNc1cc2ccccc2cc1C(=O)O,0,0.0,
+O=C(O)CCNc1ccc2c(c1)OCCO2,0,0.0,
+O=C(O)CCNc1nc(-c2ccccc2)nc2ccccc12,0,0.0,
+O=C(O)CCOc1ccc2c(c1)OCCO2,0,0.0,
+O=C(O)CCS(=O)(=O)Cc1cccc(Cl)c1,0,0.0,
+O=C(O)CCS(=O)(=O)Cc1ccccc1F,0,0.0,
+O=C(O)CCS(=O)(=O)c1cccc2cccnc12,0,0.0,
+O=C(O)CCSCC(=O)Nc1c(C(=O)C2CC2)oc2ccccc12,0,0.0,
+O=C(O)CCSCC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(O)CCSCCC(=O)O,0,0.0,
+O=C(O)CCSCc1ccccc1F,0,0.0,
+O=C(O)CCSc1ccc2ccccc2n1,0,0.0,
+O=C(O)CCSc1nc2ccc(Br)cc2[nH]1,0,0.0,
+O=C(O)CCSc1nc2ccccc2c(=O)[nH]1,0,0.0,
+O=C(O)CCSc1nc2ccccc2n1CCOc1ccccc1,0,0.0,
+O=C(O)CCSc1nc2ccccc2s1,0,0.0,
+O=C(O)CCSc1nnc(-c2ccc3c(c2)OCO3)o1,0,0.0,
+O=C(O)CCSc1nnc(-c2ccccc2)n1-c1ccccc1,0,0.0,
+O=C(O)CCSc1nnc(-c2ccncc2)n1-c1ccccc1,0,0.0,
+O=C(O)CCSc1nnnn1-c1ccccc1,0,0.0,
+O=C(O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,0,0.0,
+O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1CC(=O)O,0,0.0,
+O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1Cc1ccco1,0,0.0,
+O=C(O)CCc1ccc(-c2ccc(Br)cc2)o1,0,0.0,
+O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CC(=O)O,0,0.0,
+O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1Cc1ccco1,0,0.0,
+O=C(O)CCc1ccc(-c2ccc(F)cc2)n1CC(=O)O,0,0.0,
+O=C(O)CCc1ccc(-c2ccc(F)cc2)n1CCC(=O)O,0,0.0,
+O=C(O)CCc1ccc(-c2ccc(F)cc2)n1Cc1ccco1,0,0.0,
+O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccco1,0,0.0,
+O=C(O)CCc1ccc(-c2ccccc2)n1-c1cccc(O)c1,0,0.0,
+O=C(O)CCc1ccc(-c2ccccc2)n1CC(=O)O,0,0.0,
+O=C(O)CCc1ccc(-c2ccccc2)n1CC1CCCO1,0,0.0,
+O=C(O)CCc1ccc(-c2ccccc2)n1Cc1ccco1,0,0.0,
+O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1ccco1,0,0.0,
+O=C(O)CCc1ccc(-c2ccccc2)o1,0,0.0,
+O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(C(=O)O)cc1,0,0.0,
+O=C(O)CCc1ccc(-c2cccs2)n1CC1CCCO1,0,0.0,
+O=C(O)CCc1ccc(-c2cccs2)n1CCC(=O)O,0,0.0,
+O=C(O)CCc1ccc(-c2cccs2)n1Cc1ccco1,0,0.0,
+O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccc(Cl)cc1,0,0.0,
+O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccc(O)cc1,0,0.0,
+O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccccc1Br,0,0.0,
+O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccco1,0,0.0,
+O=C(O)CCc1ccc(-c2cccs2)o1,0,0.0,
+O=C(O)CCc1n[nH]c(=S)[nH]c1=O,0,0.0,
+O=C(O)CCc1nc(-c2ccc(Cl)cc2)no1,0,0.0,
+O=C(O)CCc1nc(-c2ccccc2)no1,0,0.0,
+O=C(O)CCc1nc(-c2ccccc2Cl)no1,0,0.0,
+O=C(O)CCc1nc(-c2cccs2)no1,0,0.0,
+O=C(O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O,0,0.0,
+O=C(O)CCc1nc2cccnc2n1Cc1ccccc1,0,0.0,
+O=C(O)CCc1nn2c3ccccc3nc2n(-c2ccccc2)c1=O,0,0.0,
+O=C(O)CCc1nn2c3ccccc3nc2n(CCN2CCCCC2)c1=O,0,0.0,
+O=C(O)CCc1nn2cc(-c3ccccc3)nc2[nH]c1=O,0,0.0,
+O=C(O)CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12,0,0.0,
+O=C(O)CCn1[nH]c(=O)ccc1=O,0,0.0,
+O=C(O)CCn1c(-c2ccccc2)cc2c1CCCC2=O,1,100.0,
+O=C(O)CCn1c(=O)[nH]c2ccccc2c1=O,0,0.0,
+O=C(O)CCn1c(=O)c2ccccc2c2ccccc2c1=O,0,0.0,
+O=C(O)CCn1c(=O)sc2ccccc21,0,0.0,
+O=C(O)CCn1c(C(=O)O)cc2sccc21,0,0.0,
+O=C(O)CCn1c(C2CCCCC2)nc2ccccc21,0,0.0,
+O=C(O)CCn1c(SCc2ccccc2)nc2ccccc21,0,0.0,
+O=C(O)CCn1ccnc1-c1ccccc1,0,0.0,
+O=C(O)CCn1cnc2ccccc2c1=O,0,0.0,
+O=C(O)CCn1nnc(-c2cccs2)n1,0,0.0,
+O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+O=C(O)CN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1,0,0.0,
+O=C(O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1,0,0.0,
+O=C(O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1,0,0.0,
+O=C(O)CN(c1ccccc1)C1SC(=O)NC1=O,0,0.0,
+O=C(O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1,0,0.0,
+O=C(O)CN1C(=O)C2(OCCCO2)c2ccccc21,0,0.0,
+O=C(O)CN1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+O=C(O)CN1C(=O)CC(Cc2ccc(Cl)cc2)C1=O,0,0.0,
+O=C(O)CN1C(=O)CC(Cc2ccccc2)C1=O,0,0.0,
+O=C(O)CN1C(=O)CC[S+]([O-])c2ccccc21,0,0.0,
+O=C(O)CN1C(=O)CNC1=O,0,0.0,
+O=C(O)CN1C(=O)COc2cc(S(=O)(=O)N3CCCC3)ccc21,0,0.0,
+O=C(O)CN1C(=O)CSc2ccccc21,0,0.0,
+O=C(O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1,0,0.0,
+O=C(O)CN1C(=O)c2cccc(Oc3ccc(Cl)cc3)c2C1=O,0,0.0,
+O=C(O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O,0,0.0,
+O=C(O)CN1CCN(Cc2ccccc2)C1=O,0,0.0,
+O=C(O)CN1CCN(Cc2ccccc2Cl)C1=O,0,0.0,
+O=C(O)CN1CCNCC1,0,0.0,
+O=C(O)CN1CCOCCOCCN(CC(=O)O)CCOCCOCC1,0,0.0,
+O=C(O)CN=C(NS(=O)(=O)c1ccccc1)c1ccccc1,0,0.0,
+O=C(O)CNC(=O)C1COc2ccccc2O1,0,0.0,
+O=C(O)CNC(=O)CC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(O)CNC(=O)c1ccc(OC(F)F)cc1,0,0.0,
+O=C(O)CNC(=O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(O)CNC(=O)c1ccccc1F,0,0.0,
+O=C(O)CNC(=O)c1ccccc1NC(=O)c1ccco1,0,0.0,
+O=C(O)CNC1=NCCC1,0,0.0,
+O=C(O)CNC1=NCCCCC1,0,0.0,
+O=C(O)CNCC1COc2ccccc2O1,0,0.0,
+O=C(O)CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,0,0.0,
+O=C(O)CNS(=O)(=O)c1ccc(Br)s1,0,0.0,
+O=C(O)CNS(=O)(=O)c1ccc(F)cc1,0,0.0,
+O=C(O)COCC(=O)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(O)COCc1nc2ccccc2[nH]1,0,0.0,
+O=C(O)COc1c(Cl)cccc1Cl,0,0.0,
+O=C(O)COc1ccc(-c2nnn(CC(=O)O)n2)cc1,0,0.0,
+O=C(O)COc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1,0,0.0,
+O=C(O)COc1ccc(Br)cc1/C=N/O,0,0.0,
+O=C(O)COc1ccc(C(=O)Cc2ccc3c(c2)OCCCO3)c(O)c1,0,0.0,
+O=C(O)COc1ccc(Cl)cc1CO,0,0.0,
+O=C(O)COc1ccc(Oc2ccccc2)cc1,0,0.0,
+O=C(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,0,0.0,
+O=C(O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1,0,0.0,
+O=C(O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1,0,0.0,
+O=C(O)COc1ccc2c(c1)CCCC2,0,0.0,
+O=C(O)COc1ccc2c(c1)OCCO2,0,0.0,
+O=C(O)COc1ccc2nsnc2c1Cl,0,0.0,
+O=C(O)COc1ccc2occ(C(=O)c3ccccc3)c2c1,0,0.0,
+O=C(O)COc1cccc(NC(=O)C2CCCO2)c1,0,0.0,
+O=C(O)COc1cccc(NC(=O)c2ccccc2)c1,0,0.0,
+O=C(O)COc1cccc2nsnc12,0,0.0,
+O=C(O)COc1ccccc1C1C2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1,0,0.0,
+O=C(O)COc1ccccc1C1C2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1,0,0.0,
+O=C(O)COc1ccccc1Cc1ccccc1,0,0.0,
+O=C(O)COc1ccccc1O,0,0.0,
+O=C(O)COc1nsnc1N1CCOCC1,0,0.0,
+O=C(O)CP(=O)(O)c1ccc(Cl)cc1,0,0.0,
+O=C(O)CP(=O)(c1ccccc1)c1ccccc1,0,0.0,
+O=C(O)CS(=O)(=O)CC(=O)O,0,0.0,
+O=C(O)CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)CC(=O)O)cc2)cc1,0,0.0,
+O=C(O)CSC(NC(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F,0,0.0,
+O=C(O)CSC12CC3CC(C1)CC(C(=O)O)(C3)C2,0,0.0,
+O=C(O)CSC1=NCCN1,0,0.0,
+O=C(O)CSC1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O,0,0.0,
+O=C(O)CSC1CC(=O)N(c2ccc(Cl)cc2)C1=O,0,0.0,
+O=C(O)CSC1CC(=O)N(c2cccc(Cl)c2)C1=O,0,0.0,
+O=C(O)CSC1c2ccccc2C(=O)N1Cc1ccccc1,0,0.0,
+O=C(O)CSCC(=O)NCc1ccccc1,0,0.0,
+O=C(O)CSCC(=O)Nc1cc(C(F)(F)F)ccc1Cl,0,0.0,
+O=C(O)CSCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(O)CSCC(=O)Nc1cccc2ccccc12,0,0.0,
+O=C(O)CSCC(=O)c1ccccc1,0,0.0,
+O=C(O)CSCCC(=O)Nc1ccc(F)cc1,0,0.0,
+O=C(O)CSCCCC(=O)Nc1ccc(Br)cc1,0,0.0,
+O=C(O)CSCCc1ccccn1,0,0.0,
+O=C(O)CSCCn1cccn1,0,0.0,
+O=C(O)CSCNC(=O)CC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(O)CSCc1c(F)cccc1Cl,0,0.0,
+O=C(O)CSCc1ccc(Cl)cc1,0,0.0,
+O=C(O)CSCc1cnn(-c2ccccc2)c1-n1cccc1,0,0.0,
+O=C(O)CSCc1nc2ccccc2s1,0,0.0,
+O=C(O)CSc1c2c(nc3cc(C(=O)N4CCOCC4)ccc13)CCCC2,0,0.0,
+O=C(O)CSc1ccc2ccccc2n1,0,0.0,
+O=C(O)CSc1cccc2cccc(C(=O)O)c12,0,0.0,
+O=C(O)CSc1cccc2cccnc12,0,0.0,
+O=C(O)CSc1ccccn1,0,0.0,
+O=C(O)CSc1nc2c(c(=O)[nH]1)CCCC2,0,0.0,
+O=C(O)CSc1nc2ccc(Cl)cc2[nH]1,0,0.0,
+O=C(O)CSc1nc2ccccc2o1,0,0.0,
+O=C(O)CSc1ncn[nH]1,0,0.0,
+O=C(O)CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1,0,0.0,
+O=C(O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1Cc1ccco1,0,0.0,
+O=C(O)CSc1nnc(-c2ccccc2)o1,0,0.0,
+O=C(O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1,0,0.0,
+O=C(O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1,0,0.0,
+O=C(O)CSc1nnc(-c2ccco2)o1,0,0.0,
+O=C(O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1,0,0.0,
+O=C(O)CSc1nnc(-c2ccncc2)n1C1CCCCC1,0,0.0,
+O=C(O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1,0,0.0,
+O=C(O)CSc1nnc(C2CC2)n1-c1ccccc1,0,0.0,
+O=C(O)CSc1nnc(C2COc3ccccc3O2)n1-c1ccccc1,0,0.0,
+O=C(O)CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1,0,0.0,
+O=C(O)CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1Cc1ccco1,0,0.0,
+O=C(O)CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1,1,100.0,
+O=C(O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1,0,0.0,
+O=C(O)CSc1nnc(Cc2ccccc2)n1Cc1ccccc1,0,0.0,
+O=C(O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1,0,0.0,
+O=C(O)CSc1nnc(Cn2cnc3ccccc32)n1CCc1ccccc1,0,0.0,
+O=C(O)CSc1nnc(Cn2nnc3ccccc32)n1CCc1ccccc1,0,0.0,
+O=C(O)CSc1sc(=S)sc1SCC(=O)O,0,0.0,
+O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,0,0.0,
+O=C(O)Cc1cc2c(s1)CCCCC2,0,0.0,
+O=C(O)Cc1ccc(-c2ccccc2)cc1,0,0.0,
+O=C(O)Cc1ccc(C(=O)c2cccs2)s1,0,0.0,
+O=C(O)Cc1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,0,0.0,
+O=C(O)Cc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1,0,0.0,
+O=C(O)Cc1ccc(NC(=O)c2cccs2)cc1,0,0.0,
+O=C(O)Cc1ccc2[nH]c3ccc(CC(=O)O)cc3c2c1,0,0.0,
+O=C(O)Cc1ccccc1C(=O)O,0,0.0,
+O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0,0.0,
+O=C(O)Cc1coc(-c2ccc(F)cc2)n1,0,0.0,
+O=C(O)Cc1csc2ccccc12,0,0.0,
+O=C(O)Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3,0,0.0,
+O=C(O)Cn1c(-c2ccccc2)nc2ccccc21,0,0.0,
+O=C(O)Cn1c(-c2cscn2)nc2ccccc21,0,0.0,
+O=C(O)Cn1c(C(F)(F)F)nc2ccccc21,0,0.0,
+O=C(O)Cn1c(CC(=O)N2CCCC2)nc2ccccc21,0,0.0,
+O=C(O)Cn1c(O)c(C=Nc2ccccc2)sc1=S,0,0.0,
+O=C(O)Cn1c(P(=O)(O)c2ccccc2)nc2ccccc21,0,0.0,
+O=C(O)Cn1c(SC2CCCCC2)nc2ccccc21,0,0.0,
+O=C(O)Cn1c(SCCOc2ccccc2)nc2ccccc21,0,0.0,
+O=C(O)Cn1c(SCCOc2ccccc2F)nc2ccccc21,0,0.0,
+O=C(O)Cn1cc(C(=O)C2CC2)c2ccccc21,0,0.0,
+O=C(O)Cn1cc(C(=O)c2ccccc2)c2ccccc21,0,0.0,
+O=C(O)Cn1cc(C(=O)c2ccco2)c2ccccc21,0,0.0,
+O=C(O)Cn1cc(C(=O)c2cccs2)c2ccccc21,0,0.0,
+O=C(O)Cn1cc2c(n1)CCCC2,0,0.0,
+O=C(O)Cn1cc2c(n1)CCCCC2,0,0.0,
+O=C(O)Cn1cccc1C(=O)c1ccccc1,0,0.0,
+O=C(O)Cn1ccnc1,0,0.0,
+O=C(O)Cn1cnc2scc(-c3cccs3)c2c1=O,0,0.0,
+O=C(O)Cn1nc(-c2ccc(F)cc2)oc1=O,0,0.0,
+O=C(O)Cn1nc(-c2ccccc2)c2ccccc2c1=O,0,0.0,
+O=C(O)Cn1nc(C(F)(F)F)c2c1CCC2,0,0.0,
+O=C(O)Cn1nc(C(F)(F)F)c2c1CCCCC2,0,0.0,
+O=C(O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O,0,0.0,
+O=C(O)Cn1nc2ccccc2n1,0,0.0,
+O=C(O)Cn1ncc2c1-c1ccoc1CC2,0,0.0,
+O=C(O)Cn1nnc(-c2cccs2)n1,0,0.0,
+O=C(O)Cn1nnn(-c2ccccc2)c1=S,0,0.0,
+O=C(O)Cn1nnnc1-c1ccc(F)cc1,0,0.0,
+O=C(O)Cn1nnnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1,0,0.0,
+O=C(O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O,0,0.0,
+O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2C1CN1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(O)[C@@H]1CCCN1c1ncnc2sc3c(c12)CCC3,0,0.0,
+O=C(O)[C@@H]1CSC2(CCSC2)N1,0,0.0,
+O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccncc2C1=O,0,0.0,
+O=C(O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O,0,0.0,
+O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1,0,0.0,
+O=C(O)c1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(O)c1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(O)c1[nH]c2ccccc2c1CC(=O)N1CCOCC1,0,0.0,
+O=C(O)c1[nH]c2ccccc2c1NS(=O)(=O)Cc1ccccc1,0,0.0,
+O=C(O)c1[nH]nc2c1COc1ccccc1-2,0,0.0,
+O=C(O)c1c(-c2ccccc2)c2oc3ccccc3c2[nH]c1=O,0,0.0,
+O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)N1CCOCC1,0,0.0,
+O=C(O)c1c(F)c(F)c(F)c(F)c1-c1ccc(Cl)cc1,0,0.0,
+O=C(O)c1c(F)c(F)cc2ccccc12,0,0.0,
+O=C(O)c1c2c(nc3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCCC5)CC4)cc13)CCCC2,0,0.0,
+O=C(O)c1c2c(nc3ccc(S(=O)(=O)N4CCC(C(=O)NC5CCCC5)CC4)cc13)CCCCC2,0,0.0,
+O=C(O)c1c[nH]c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c1=O,0,0.0,
+O=C(O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12,0,0.0,
+O=C(O)c1c[nH]ccc1=O,0,0.0,
+O=C(O)c1cc(-c2ccc(Cl)cc2)n[nH]1,0,0.0,
+O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,0,0.0,
+O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12,0,0.0,
+O=C(O)c1cc(-c2ccccc2)c(N2CCOCC2)s1,0,0.0,
+O=C(O)c1cc(-c2ccccc2)n(-c2ccccc2C(=O)O)n1,0,0.0,
+O=C(O)c1cc(-c2ccccc2)nc2ccccc12,0,0.0,
+O=C(O)c1cc(-c2ccccc2Cl)n[nH]1,0,0.0,
+O=C(O)c1cc(-c2ccccn2)n[nH]1,0,0.0,
+O=C(O)c1cc(-c2cccnc2)nn1-c1ccccn1,0,0.0,
+O=C(O)c1cc(-c2ccco2)nc2ccc(Br)cc12,1,100.0,0.0
+O=C(O)c1cc(-c2ccco2)nc2ccccc12,0,0.0,
+O=C(O)c1cc(-c2cccs2)nc2cc3c(cc12)OCCO3,1,100.0,0.0
+O=C(O)c1cc(-c2ccncc2)nc2ccc(F)cc12,0,0.0,
+O=C(O)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12,0,0.0,
+O=C(O)c1cc(/C=N\O)ccc1OCc1ccccc1,0,0.0,
+O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1,0,0.0,
+O=C(O)c1cc(=O)cc(C(=O)O)[nH]1,0,0.0,
+O=C(O)c1cc(C(=O)O)c(-c2ccccc2)c(C(=O)O)c1,0,0.0,
+O=C(O)c1cc(CN2CCOCC2)oc1-c1ccccc1,0,0.0,
+O=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1CCCC1,0,0.0,
+O=C(O)c1cc(Cl)c2ccccc2c1O,0,0.0,
+O=C(O)c1cc(Cl)ccc1NC(=O)C1CCCO1,0,0.0,
+O=C(O)c1cc(N2C(=O)C3C4C=CC(C4)C3C2=O)ccc1NCc1cccnc1,0,0.0,
+O=C(O)c1cc(NC(=O)C2CCCO2)cc(NC(=O)C2CCCO2)c1,0,0.0,
+O=C(O)c1cc(NCc2c(F)cccc2Cl)ccc1N1CCOCC1,0,0.0,
+O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1N1CCOCC1,0,0.0,
+O=C(O)c1cc(NCc2ccccc2C(F)(F)F)ccc1N1CCOCC1,0,0.0,
+O=C(O)c1cc(NCc2cccs2)ccc1N1CCOCC1,0,0.0,
+O=C(O)c1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1O,0,0.0,
+O=C(O)c1cc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1Cl,0,0.0,
+O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O,0,0.0,
+O=C(O)c1cc(O)ccc1-c1ccc(O)cc1,0,0.0,
+O=C(O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br,0,0.0,
+O=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F,0,0.0,
+O=C(O)c1cc(S(=O)(=O)N2CCCCCC2)c(Cl)cc1Cl,0,0.0,
+O=C(O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl,0,0.0,
+O=C(O)c1cc(S(=O)(=O)N2CCOCC2)c(Sc2ccccn2)cc1Sc1ccccn1,0,0.0,
+O=C(O)c1cc(S(=O)(=O)NCC2CCCO2)ccc1Cl,0,0.0,
+O=C(O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl,0,0.0,
+O=C(O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c(Cl)cc1Cl,0,0.0,
+O=C(O)c1cc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)ccc1O,0,0.0,
+O=C(O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1O,0,0.0,
+O=C(O)c1cc(S(=O)(=O)O)ccc1O,0,0.0,
+O=C(O)c1cc2c([nH]c1=O)CCCC2,0,0.0,
+O=C(O)c1cc2c(ccc3ccccc32)[nH]1,0,0.0,
+O=C(O)c1cc2c(ccc3ccccc32)o1,0,0.0,
+O=C(O)c1cc2c(s1)-c1ccccc1OC2,0,0.0,
+O=C(O)c1cc2c(s1)CCCC2,0,0.0,
+O=C(O)c1cc2cc(Cl)cc(Cl)c2oc1=O,0,0.0,
+O=C(O)c1cc2cc(Cl)ccc2oc1=O,0,0.0,
+O=C(O)c1cc2cc(F)ccc2[nH]1,0,0.0,
+O=C(O)c1cc2cc(OCc3ccccc3)ccc2[nH]1,0,0.0,
+O=C(O)c1cc2ccc3ccccc3c2[nH]1,0,0.0,
+O=C(O)c1cc2cccc(S(=O)(=O)N3CCOCC3)c2cc1O,0,0.0,
+O=C(O)c1cc2ccccc2n1-c1ccccc1,0,0.0,
+O=C(O)c1cc2ccccc2oc1=O,0,0.0,
+O=C(O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccccc1)N2,0,0.0,
+O=C(O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2,0,0.0,
+O=C(O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1,0,0.0,
+O=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3,0,0.0,
+O=C(O)c1cc2sccc2s1,0,0.0,
+O=C(O)c1ccc(-c2ccc(O)c(F)c2)cc1,0,0.0,
+O=C(O)c1ccc(-c2ccccc2)[nH]1,0,0.0,
+O=C(O)c1ccc(-c2ccccc2C(F)(F)F)o1,0,0.0,
+O=C(O)c1ccc(-c2ccccc2Cl)o1,0,0.0,
+O=C(O)c1ccc(-c2ccco2)n1Cc1ccccc1,0,0.0,
+O=C(O)c1ccc(-n2c(-c3ccccc3)n[nH]c2=S)cc1,0,0.0,
+O=C(O)c1ccc(-n2cccc2)cc1O,0,0.0,
+O=C(O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1,0,0.0,
+O=C(O)c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1,0,0.0,
+O=C(O)c1ccc(-n2nnnc2SCc2ccccc2F)cc1,0,0.0,
+O=C(O)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(O)c1ccc(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1,0,0.0,
+O=C(O)c1ccc(C2CCCCC2)cn1,0,0.0,
+O=C(O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1,0,0.0,
+O=C(O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1,0,0.0,
+O=C(O)c1ccc(CN2C(=O)CSC2=S)cc1,0,0.0,
+O=C(O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1,0,0.0,
+O=C(O)c1ccc(CN2CCCCC2)o1,0,0.0,
+O=C(O)c1ccc(CNC(=O)c2ccc(Br)o2)cc1,0,0.0,
+O=C(O)c1ccc(CNc2ccccc2C(=O)O)cc1,0,0.0,
+O=C(O)c1ccc(COCC(F)(F)C(F)F)o1,0,0.0,
+O=C(O)c1ccc(COCC(F)(F)F)cc1,0,0.0,
+O=C(O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1,0,0.0,
+O=C(O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1,0,0.0,
+O=C(O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1,0,0.0,
+O=C(O)c1ccc(COc2ccc(CO)cc2Cl)cc1,0,0.0,
+O=C(O)c1ccc(COc2ccc(Cl)cc2)o1,0,0.0,
+O=C(O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)o1,0,0.0,
+O=C(O)c1ccc(COc2cccc(CO)c2)cc1,0,0.0,
+O=C(O)c1ccc(COc2ccccc2Cl)cc1,0,0.0,
+O=C(O)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1,0,0.0,
+O=C(O)c1ccc(C[S+]([O-])c2cccc(C(F)(F)F)c2)o1,0,0.0,
+O=C(O)c1ccc(CSCc2c(F)cccc2Cl)o1,0,0.0,
+O=C(O)c1ccc(CSCc2ccccc2F)o1,0,0.0,
+O=C(O)c1ccc(CSc2n[nH]c(-c3ccco3)n2)cc1,0,0.0,
+O=C(O)c1ccc(CSc2nc3ccccc3o2)cc1,0,0.0,
+O=C(O)c1ccc(CSc2ncn[nH]2)cc1,0,0.0,
+O=C(O)c1ccc(CSc2nnc(-c3ccco3)o2)cc1,0,0.0,
+O=C(O)c1ccc(CSc2nnc(-c3ccncc3)n2CC2CCCO2)cc1,0,0.0,
+O=C(O)c1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1,0,0.0,
+O=C(O)c1ccc(CSc2nnnn2C2CCCCC2)cc1,0,0.0,
+O=C(O)c1ccc(Cl)c(NC(=O)C2CCCN2S(=O)(=O)c2cccc3nsnc23)c1,0,0.0,
+O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1,0,0.0,
+O=C(O)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1,0,0.0,
+O=C(O)c1ccc(Cl)c2c1C1C=CCC1C(c1ccccn1)N2,0,0.0,
+O=C(O)c1ccc(Cl)cc1NC(=O)C1CCCO1,0,0.0,
+O=C(O)c1ccc(Cn2cc(Cl)cn2)cc1,0,0.0,
+O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2)c1,0,0.0,
+O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2Cl)c1,0,0.0,
+O=C(O)c1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccccc4F)C3C2=O)cc1,0,0.0,
+O=C(O)c1ccc(N2C(=O)CC(Cc3ccccc3)C2=O)cc1,0,0.0,
+O=C(O)c1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C(O)c1ccc(N2CCCCC2)cc1,0,0.0,
+O=C(O)c1ccc(N2CCCCCC2)c(N2C(=O)c3ccccc3C2=O)c1,0,0.0,
+O=C(O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1,0,0.0,
+O=C(O)c1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1,0,0.0,
+O=C(O)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,1,100.0,0.0
+O=C(O)c1ccc(NC(=O)C2CCCCC2)cc1,0,0.0,
+O=C(O)c1ccc(NC(=O)c2cccs2)cc1,0,0.0,
+O=C(O)c1ccc(NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+O=C(O)c1ccc(NCc2cccnc2)cc1,0,0.0,
+O=C(O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1,0,0.0,
+O=C(O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1O,0,0.0,
+O=C(O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Br)cc1,0,0.0,
+O=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1,0,0.0,
+O=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1O,0,0.0,
+O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1O,0,0.0,
+O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1,0,0.0,
+O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1,0,0.0,
+O=C(O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1,0,0.0,
+O=C(O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1,0,0.0,
+O=C(O)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1,0,0.0,
+O=C(O)c1ccc(OC2CSC2)cc1,0,0.0,
+O=C(O)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1,0,0.0,
+O=C(O)c1ccc(OCCn2ccnc2)cc1,0,0.0,
+O=C(O)c1ccc(OCc2occc2C(=O)O)cc1,0,0.0,
+O=C(O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1,0,0.0,
+O=C(O)c1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1,0,0.0,
+O=C(O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1,0,0.0,
+O=C(O)c1ccc(S(=O)(=O)NC2CCCc3ccccc32)cc1,0,0.0,
+O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1,0,0.0,
+O=C(O)c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)cc1,0,0.0,
+O=C(O)c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1,0,0.0,
+O=C(O)c1ccc(S(=O)(=O)c2ccccc2)cc1,0,0.0,
+O=C(O)c1ccc2[nH]c3c(c2c1)CSCC3,0,0.0,
+O=C(O)c1ccc2c(c1)C(=O)N(C(Cc1ccc(O)cc1)C(=O)O)C2=O,0,0.0,
+O=C(O)c1ccc2c(c1)C(=O)N(C(Cc1ccccc1)C(=O)O)C2=O,0,0.0,
+O=C(O)c1ccc2c(c1)C(=O)N(CCC1=CCCCC1)C2=O,0,0.0,
+O=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O,0,0.0,
+O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cn1)C2=O,0,0.0,
+O=C(O)c1ccc2c(c1)C(=O)N(c1n[nH]c(-c3ccccc3)n1)C2=O,0,0.0,
+O=C(O)c1ccc2c(c1)C(c1ccccc1)OC2=O,0,0.0,
+O=C(O)c1ccc2c(c1)CC(c1ccccc1)OC2=O,0,0.0,
+O=C(O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)CS2,0,0.0,
+O=C(O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S+]2[O-],0,0.0,
+O=C(O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S+]2[O-],0,0.0,
+O=C(O)c1ccc2c(c1)NC(=O)C(N1CCCC1)S2,0,0.0,
+O=C(O)c1ccc2c(c1)ncn2C1CCCCCC1,0,0.0,
+O=C(O)c1ccc2c(c1)nnn2C1CCCCC1,0,0.0,
+O=C(O)c1ccc2c3c(ncnc13)-c1ccccc1C2=O,0,0.0,
+O=C(O)c1ccc2cc[nH]c2c1,0,0.0,
+O=C(O)c1ccc2cccc(Cl)c2c1O,0,0.0,
+O=C(O)c1ccc2nc(C(F)(F)F)[nH]c2c1,0,0.0,
+O=C(O)c1ccc2noc(-c3ccccc3)c2c1,0,0.0,
+O=C(O)c1cccc(-n2cccc2/C=N/O)c1,0,0.0,
+O=C(O)c1cccc(-n2cnnn2)c1,0,0.0,
+O=C(O)c1cccc(-n2nnnc2SCc2ccccn2)c1,0,0.0,
+O=C(O)c1cccc(C(=O)Cc2ccccc2)c1,0,0.0,
+O=C(O)c1cccc(C(=O)Nc2cccc(NC(=O)C3CCCO3)c2)c1,0,0.0,
+O=C(O)c1cccc(C(=O)O)n1,0,0.0,
+O=C(O)c1cccc(CN2C(=O)CSC2=O)c1,0,0.0,
+O=C(O)c1cccc(CN2C(=O)SC(Nc3ccccc3)C2=O)c1,0,0.0,
+O=C(O)c1cccc(COCC(F)(F)C(F)F)c1,0,0.0,
+O=C(O)c1cccc(COc2ccc(CO)cc2Cl)c1,0,0.0,
+O=C(O)c1cccc(COc2ccccc2Cl)c1,0,0.0,
+O=C(O)c1cccc(CSc2ncccn2)c1,0,0.0,
+O=C(O)c1cccc(CSc2nnc(COc3ccccc3)o2)c1,0,0.0,
+O=C(O)c1cccc(CSc2nnc(Cc3ccccc3)o2)c1,0,0.0,
+O=C(O)c1cccc(Cn2cc(Br)cn2)c1,0,0.0,
+O=C(O)c1cccc(Cn2cc(Cl)cn2)c1,0,0.0,
+O=C(O)c1cccc(Cn2cccn2)c1,0,0.0,
+O=C(O)c1cccc(N2C(=O)C3CC=C(Cl)CC3C2=O)c1,0,0.0,
+O=C(O)c1cccc(N2C(=O)CSC2c2c(F)cccc2Cl)c1,0,0.0,
+O=C(O)c1cccc(N2C(=O)c3cccnc3C2=O)c1,0,0.0,
+O=C(O)c1cccc(N2CCCC2)c1,0,0.0,
+O=C(O)c1cccc(N2CCCC2=O)c1,0,0.0,
+O=C(O)c1cccc(N2CCCCS2(=O)=O)c1,0,0.0,
+O=C(O)c1cccc(NC(=O)C23CC4CC(C2)CC(n2cnc(Cl)n2)(C4)C3)c1,0,0.0,
+O=C(O)c1cccc(NC(=O)C2C3C=CC(C3)C2C(=O)OCC(F)(F)C(F)F)c1,0,0.0,
+O=C(O)c1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1,0,0.0,
+O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1,0,0.0,
+O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1,0,0.0,
+O=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1,0,0.0,
+O=C(O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1,0,0.0,
+O=C(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1,0,0.0,
+O=C(O)c1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1,0,0.0,
+O=C(O)c1cccc(OCc2ccccc2Cl)c1,0,0.0,
+O=C(O)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(O)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(O)c1cccc(S(=O)(=O)N2CCSCC2)c1,0,0.0,
+O=C(O)c1cccc(S(=O)(=O)N2Cc3ccccc3C2)c1,0,0.0,
+O=C(O)c1cccc(S(=O)(=O)NCC2CCCO2)c1,0,0.0,
+O=C(O)c1cccc(S(=O)(=O)NCc2cccs2)c1,0,0.0,
+O=C(O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1,0,0.0,
+O=C(O)c1cccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)c1,0,0.0,
+O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1,0,0.0,
+O=C(O)c1cccc2[nH]c(C(F)(F)F)nc12,0,0.0,
+O=C(O)c1cccc2c1C(=O)N(C1CCCCC1)C2,0,0.0,
+O=C(O)c1cccc2c1C(=O)N(Cc1ccncc1)C2,0,0.0,
+O=C(O)c1ccccc1-c1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)o1,0,0.0,
+O=C(O)c1ccccc1-c1ccccc1C(=O)NCc1ccco1,0,0.0,
+O=C(O)c1ccccc1-c1nc2ccccc2c(=O)[nH]1,0,0.0,
+O=C(O)c1ccccc1C(=O)N1CC=C(c2ccccc2)CC1,0,0.0,
+O=C(O)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(O)c1ccccc1C(=O)NCC(O)COCC1CC=CCC1,0,0.0,
+O=C(O)c1ccccc1C(=O)NCc1ccc(F)cc1,0,0.0,
+O=C(O)c1ccccc1C(=O)NCc1ccccc1,0,0.0,
+O=C(O)c1ccccc1C(=O)NCc1cccnc1,0,0.0,
+O=C(O)c1ccccc1C(=O)Nc1ccccc1,0,0.0,
+O=C(O)c1ccccc1C(=O)Nc1ccccn1,0,0.0,
+O=C(O)c1ccccc1C(=O)Nc1n[nH]c(=S)s1,0,0.0,
+O=C(O)c1ccccc1C(=O)OCCCCOC(=O)c1ccccc1C(=O)O,0,0.0,
+O=C(O)c1ccccc1C(=O)OCc1ccccc1,0,0.0,
+O=C(O)c1ccccc1C(=O)c1cccs1,0,0.0,
+O=C(O)c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc21,0,0.0,
+O=C(O)c1ccccc1COc1ccccc1Cl,0,0.0,
+O=C(O)c1ccccc1NC(=O)C1CCCO1,0,0.0,
+O=C(O)c1ccccc1NCN1C(=O)C2CC=C(Cl)CC2C1=O,0,0.0,
+O=C(O)c1ccccc1NCc1ccncc1,0,0.0,
+O=C(O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,0,0.0,
+O=C(O)c1ccccc1NS(=O)(=O)c1cccc2cccnc12,0,0.0,
+O=C(O)c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F,0,0.0,
+O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(O)c1ccccc1OCCOCCOc1ccccc1C(=O)O,0,0.0,
+O=C(O)c1ccccc1OCCOc1ccccc1,0,0.0,
+O=C(O)c1ccccc1OCCOc1ccccc1C(=O)O,0,0.0,
+O=C(O)c1ccccc1S,0,0.0,
+O=C(O)c1ccccc1S(=O)(=O)Cc1ccccc1,0,0.0,
+O=C(O)c1ccccc1S(=O)(=O)NCC(O)COC1CCCCC1,0,0.0,
+O=C(O)c1ccccc1S(=O)(=O)NCC(O)COc1ccc(Br)cc1,0,0.0,
+O=C(O)c1ccccc1S(=O)(=O)c1ccccc1CO,0,0.0,
+O=C(O)c1ccccc1SC1CC(=O)N(C2CCCCC2)C1=O,0,0.0,
+O=C(O)c1ccccc1SCC(=O)N1CCCCC1,0,0.0,
+O=C(O)c1ccccc1SCc1ccc2c(c1)OCO2,0,0.0,
+O=C(O)c1cccn1Cc1ccccc1F,0,0.0,
+O=C(O)c1cccn2c(=O)c3ccccc3nc12,0,0.0,
+O=C(O)c1cccnc1-c1ncccc1C(=O)O,0,0.0,
+O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(O)c1cccnc1Oc1ccccc1,0,0.0,
+O=C(O)c1cccnc1SC1CC(=O)N(Cc2ccccc2)C1=O,0,0.0,
+O=C(O)c1cccnc1SC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O,0,0.0,
+O=C(O)c1cccnc1SCC(=O)N1CCCCCC1,0,0.0,
+O=C(O)c1cccnc1SCCc1ccccc1,0,0.0,
+O=C(O)c1cccnc1SCc1ccccc1,0,0.0,
+O=C(O)c1ccn(Cn2cnc3ccccc32)n1,0,0.0,
+O=C(O)c1ccnc(C(=O)O)c1,0,0.0,
+O=C(O)c1cn(-c2ccccc2)nc1-c1cccnc1,0,0.0,
+O=C(O)c1cn(-c2ccccc2)nc1-c1ccncc1,0,0.0,
+O=C(O)c1cnc2ccccc2n1,0,0.0,
+O=C(O)c1cnn(-c2ccccc2)c1-n1cccc1,0,0.0,
+O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,0,0.0,
+O=C(O)c1cnn2c1NC(c1ccc(F)cc1)CC2C(F)(F)F,0,0.0,
+O=C(O)c1cnn2c1NC(c1cccs1)CC2C(F)(F)F,0,0.0,
+O=C(O)c1coc2ccccc12,0,0.0,
+O=C(O)c1csc(Br)c1Br,0,0.0,
+O=C(O)c1cscn1,0,0.0,
+O=C(O)c1n[nH]c2c1CCCC2,0,0.0,
+O=C(O)c1n[nH]c2c1CCCCC2,0,0.0,
+O=C(O)c1nc2ccccc2nc1C(=O)O,0,0.0,
+O=C(O)c1ncc(-c2ccccc2)cn1,0,0.0,
+O=C(O)c1ncn(Cc2ccccc2)c1C(=O)O,0,0.0,
+O=C(O)c1nn(-c2ccc(Cl)cc2)ccc1=O,0,0.0,
+O=C(O)c1nn(-c2ccccc2)nc1-c1nn(-c2ccccc2)nc1C(=O)O,0,0.0,
+O=C(O)c1nn2c(c1Br)NC(c1ccccc1)CC2C(F)(F)F,0,0.0,
+O=C(O)c1nonc1-c1nonc1C(=O)O,0,0.0,
+O=C(O)c1nsc(Cl)c1Cl,0,0.0,
+O=C(O)c1oc2ccc(Br)cc2c1-n1cccc1,0,0.0,
+O=C(O)c1oc2ccccc2c1-n1cccc1,0,0.0,
+O=C(O)c1oc2ccccc2c1CN1CCN(c2ccccc2)CC1,0,0.0,
+O=C(O)c1oc2ccccc2c1CSc1ccccn1,0,0.0,
+O=C(O)c1sccc1S(=O)(=O)c1ccccc1,0,0.0,
+O=C(OC(C(=O)NC1CCCC1)c1ccc(F)cc1)c1ccno1,0,0.0,
+O=C(OC(C(=O)NC1CCCC1)c1ccccc1F)c1ccco1,0,0.0,
+O=C(OC(C(=O)NCC1CCCO1)c1ccc(F)cc1)c1ccco1,0,0.0,
+O=C(OC(C(=O)NCC1CCCO1)c1ccccc1F)c1ccco1,0,0.0,
+O=C(OC(C(=O)NCC1CCCO1)c1ccccn1)c1cccs1,0,0.0,
+O=C(OC(C(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1)c1ccco1,0,0.0,
+O=C(OC(C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1F)c1ccco1,0,0.0,
+O=C(OC(C(=O)NCc1cccs1)c1ccc(F)cc1)c1ccco1,0,0.0,
+O=C(OC(C(=O)NCc1cccs1)c1ccccc1Cl)c1ccco1,0,0.0,
+O=C(OC(C(=O)NCc1cccs1)c1ccccn1)c1cccs1,0,0.0,
+O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+O=C(OC1CCCCC1)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2,0,0.0,
+O=C(OC1CCCCC1=O)c1cc(=O)c2ccccc2o1,0,0.0,
+O=C(OC1CCOC1=O)c1ccc(-c2nc3ccccc3s2)s1,0,0.0,
+O=C(OC1CCOC1=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+O=C(OC1CCOC1=O)c1ccc2ccccc2n1,0,0.0,
+O=C(OC1CCOC1=O)c1ccc2ncsc2c1,0,0.0,
+O=C(OC1CCOC1=O)c1cncc(Br)c1,0,0.0,
+O=C(OC1CCc2ccccc2C1=O)c1ccccc1O,0,0.0,
+O=C(OC1CN2CCC1CC2)C(CO)(c1ccccc1)c1ccccc1,1,100.0,1.0
+O=C(OC1CN2CCC1CC2)C12CC3CC(CC(C3)C1)C2,1,100.0,1.0
+O=C(OC1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21,1,100.0,1.0
+O=C(OC1CN2CCC1CC2)c1cccc(Cl)c1,1,100.0,1.0
+O=C(OC1CSc2nc3ccccc3n2C1)c1ccco1,0,0.0,
+O=C(OCC#CCSc1nc2ccccc2o1)c1ccco1,0,0.0,
+O=C(OCC#CCSc1nc2ccccc2s1)c1ccco1,0,0.0,
+O=C(OCC#CCSc1nnc(-c2ccc(Br)cc2)o1)c1ccco1,0,0.0,
+O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1cccs1,0,0.0,
+O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccco1,0,0.0,
+O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1cccs1,0,0.0,
+O=C(OCC#CCSc1nnc(-c2ccncc2)o1)c1cccs1,0,0.0,
+O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccncc1,0,0.0,
+O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1cnccn1,0,0.0,
+O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc[nH]c1=O,0,0.0,
+O=C(OCC(=O)N1CCCC1)c1ccccc1OCc1ccccc1,0,0.0,
+O=C(OCC(=O)N1CCCC1)c1ccco1,0,0.0,
+O=C(OCC(=O)N1CCCC1)c1cccs1,0,0.0,
+O=C(OCC(=O)N1CCCC1)c1cncc(Br)c1,0,0.0,
+O=C(OCC(=O)N1CCCCC1)c1c[nH]c(=O)[nH]c1=O,0,0.0,
+O=C(OCC(=O)N1CCCCC1)c1cc2ccccc2cc1O,0,0.0,
+O=C(OCC(=O)N1CCCCCC1)c1cccs1,0,0.0,
+O=C(OCC(=O)N1CCCCCC1)c1n[nH]c(=O)c2ccccc12,0,0.0,
+O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(Br)o1,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)COC(=O)c2ccncc2)CC1)c1ccncc1,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)C1=COCCO1,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccc(F)cc2)nc2ccccc12,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccccc2)nc2ccccc12,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(=O)c2ccccc2o1,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1C(=O)c1ccc(Cl)cc1,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1C(=O)c1ccccc1,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1Cc1ccccc1,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1OCc1ccc(Cl)cc1,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1OCc1ccccc1,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cn(-c2ccccc2)nc1-c1ccccc1,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1sc2cc(F)ccc2c1Cl,0,0.0,
+O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1sc2ccccc2c1Cl,0,0.0,
+O=C(OCC(=O)N1CCN(c2ccccc2)CC1)C1=COCCO1,0,0.0,
+O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2ncsc2c1,0,0.0,
+O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccccn1,0,0.0,
+O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccco1,0,0.0,
+O=C(OCC(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1,0,0.0,
+O=C(OCC(=O)N1CCOCC1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(OCC(=O)N1CCOCC1)c1ccc[nH]c1=O,0,0.0,
+O=C(OCC(=O)N1CCOCC1)c1ccccc1SCC(=O)N1CCCC1,0,0.0,
+O=C(OCC(=O)N1CCc2ccccc21)C1=COCCO1,0,0.0,
+O=C(OCC(=O)N1CCc2ccccc21)c1ccc[n+]([O-])c1,0,0.0,
+O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1,0,0.0,
+O=C(OCC(=O)N1CCc2ccccc21)c1cccnc1,0,0.0,
+O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)C1CC(=O)N(Cc2ccco2)C1,0,0.0,
+O=C(OCC(=O)c1c[nH]c2ccccc12)C1=COCCO1,0,0.0,
+O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccco1,0,0.0,
+O=C(OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1=COCCO1,0,0.0,
+O=C(OCC(=O)c1ccc[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(OCC(=O)c1ccccc1Br)c1ccccn1,0,0.0,
+O=C(OCC(=O)c1ccco1)c1ccc2ncsc2c1,0,0.0,
+O=C(OCC(=O)c1cccs1)C1=COCCO1,0,0.0,
+O=C(OCC(=O)c1cccs1)c1ccc(NC(=O)c2ccco2)cc1,0,0.0,
+O=C(OCC(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(OCC(CO)OC(CO)n1ccc(=O)[nH]c1=O)c1ccccc1,0,0.0,
+O=C(OCC(F)(F)C(F)F)c1ccccc1C(=O)Oc1ccc(F)cc1F,0,0.0,
+O=C(OCC(O)C(O)COC(=O)c1ccccc1)c1ccccc1,0,0.0,
+O=C(OCC(O)CN1CCCCC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(OCC1CC(c2ccccn2)=NO1)c1ccc(Br)cc1,0,0.0,
+O=C(OCC1CCCN2CCCCC12)c1ccc2c(c1)OCO2,1,100.0,0.0
+O=C(OCC1COc2ccccc2O1)c1c(F)cccc1F,0,0.0,
+O=C(OCC1COc2ccccc2O1)c1ccccc1F,0,0.0,
+O=C(OCC1OC2C(Oc3nc(=O)ccn32)C1O)c1ccccc1,0,0.0,
+O=C(OCCCC(=O)N1CCOCC1)c1ccccc1,0,0.0,
+O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Br)o1,0,0.0,
+O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1n[nH]c2ccccc12,0,0.0,
+O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccco1,0,0.0,
+O=C(OCCCN1CCCC1)C1(c2ccccc2)CCCC1,1,100.0,1.0
+O=C(OCCCN1CCCCC1)c1ccc(O)cc1,0,0.0,
+O=C(OCCCc1ccncc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1)c1ccco1,0,0.0,
+O=C(OCCN(CCOC(=O)c1ccncc1)S(=O)(=O)c1cccs1)c1ccncc1,0,0.0,
+O=C(OCCN1C(=O)CCC1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(OCCN1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(=O)[nH]c2ccccc12,0,0.0,
+O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,0,0.0,
+O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,0,0.0,
+O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc2ccccc2o1,0,0.0,
+O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+O=C(OCCN1C(=O)c2ccccc2C1=O)c1cccc(OC(F)F)c1,0,0.0,
+O=C(OCCN1C(=O)c2ccccc2C1=O)c1cccs1,0,0.0,
+O=C(OCCN1C(=O)c2ccccc2C1=O)c1cnccn1,0,0.0,
+O=C(OCCN1CCCC1)C1(c2ccccc2)CCCC1,1,100.0,1.0
+O=C(OCCN1CCCCC1)c1cc2ccccc2o1,1,100.0,0.0
+O=C(OCCN1CCCCC1)c1ccc(O)cc1,0,0.0,
+O=C(OCCN1CCCCC1)c1ccccc1Cl,1,100.0,0.0
+O=C(OCCN1CCOCC1)C(c1ccccc1)c1ccccc1,0,0.0,
+O=C(OCCN1CCOCC1)c1ccc(OCCN2CCOCC2)cc1,0,0.0,
+O=C(OCCN1CCOCC1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(OCCN1CCOCC1)c1cccnc1,0,0.0,
+O=C(OCCN=C1NS(=O)(=O)c2ccccc21)C1CC(=O)N(c2ccc(Cl)cc2)C1,0,0.0,
+O=C(OCCN=C1NS(=O)(=O)c2ccccc21)c1cccnc1,0,0.0,
+O=C(OCCNC(=O)c1cc2ccccc2oc1=O)c1cccnc1,0,0.0,
+O=C(OCCNC(=O)c1ccc2ccccc2n1)c1cccnc1,0,0.0,
+O=C(OCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(OCCO)c1cc(Cl)c(C(=O)OCCO)cc1Cl,0,0.0,
+O=C(OCCOCCN=C1NS(=O)(=O)c2ccccc21)C1CC(=O)N(c2ccccc2)C1,0,0.0,
+O=C(OCCOCCN=C1NS(=O)(=O)c2ccccc21)c1ccncc1,0,0.0,
+O=C(OCCOc1ccc(Br)cc1)c1cnccn1,0,0.0,
+O=C(OCCOc1ccccc1Cl)c1ccc(-n2cnnn2)cc1,0,0.0,
+O=C(OCCn1cncn1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(OCN1C(=O)c2ccccc2C1=O)C1CCCCC1,0,0.0,
+O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc2c(=O)n3c(nc2c1)CCC3,0,0.0,
+O=C(OCN1C(=O)c2ccccc2C1=O)c1ccccc1,0,0.0,
+O=C(OCN1C(=O)c2ccccc2C1=O)c1ccco1,0,0.0,
+O=C(OCN1C(=O)c2ccccc2C1=O)c1cccs1,0,0.0,
+O=C(OCc1c(Cl)cccc1Cl)c1ccccn1,0,0.0,
+O=C(OCc1c(Cl)cccc1Cl)c1cccnc1,0,0.0,
+O=C(OCc1c(Cl)cccc1Cl)c1cnccn1,0,0.0,
+O=C(OCc1c(Cl)nc2sccn12)c1cc2c(s1)CCCC2,0,0.0,
+O=C(OCc1c(F)cccc1Cl)c1cnccn1,0,0.0,
+O=C(OCc1cc(-c2ccccc2)no1)c1ccc2ccccc2n1,0,0.0,
+O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)c1ccc2c(=O)n3c(nc2c1)CCC3,0,0.0,
+O=C(OCc1cc(=O)n2cc(Br)ccc2n1)C1COc2ccccc2O1,0,0.0,
+O=C(OCc1cc(Cl)ccc1OC(F)F)c1cc(S(=O)(=O)O)ccc1O,0,0.0,
+O=C(OCc1cc2ccccc2[nH]c1=O)C1CCCCC1,0,0.0,
+O=C(OCc1cc2ccccc2[nH]c1=O)C1CCCO1,0,0.0,
+O=C(OCc1cc2ccccc2[nH]c1=O)c1ccccc1,0,0.0,
+O=C(OCc1cc2ccccc2[nH]c1=O)c1ccccn1,0,0.0,
+O=C(OCc1cc2ccccc2[nH]c1=O)c1cccnc1,0,0.0,
+O=C(OCc1cc2ccccc2[nH]c1=O)c1ccco1,0,0.0,
+O=C(OCc1cc2ccccc2[nH]c1=O)c1ccncc1,0,0.0,
+O=C(OCc1ccc(F)cc1Cl)c1ccccn1,0,0.0,
+O=C(OCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=C(OCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(OCc1cccc2ccccc12)c1ccc2c(=O)[nH]c(CN3CCOCC3)nc2c1,0,0.0,
+O=C(OCc1ccccc1)C1CCCN1C(=O)c1cccs1,0,0.0,
+O=C(OCc1ccccc1)Oc1cncc(C(=O)O)c1,0,0.0,
+O=C(OCc1ccccc1)c1ccc(Br)o1,0,0.0,
+O=C(OCc1ccccc1Cl)c1ccc(-n2cnnc2)cc1,0,0.0,
+O=C(OCc1ccccc1F)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(OCc1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=C(OCc1cccs1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(OCc1csc(-c2ccccc2)n1)c1cccs1,0,0.0,
+O=C(OCc1nc(-c2ccccc2)oc1COC(=O)c1ccco1)c1ccco1,0,0.0,
+O=C(OCc1nc2ccc(Cl)cc2n1CCO)c1ccc2c(c1)OCO2,0,0.0,
+O=C(OCc1nc2ccccc2c(=O)[nH]1)c1cccs1,0,0.0,
+O=C(OCc1nc2ccccc2s1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,0,0.0,
+O=C(OCc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(OCc1nc2ccccc2s1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(OCc1nc2ccccc2s1)c1cccs1,0,0.0,
+O=C(OCc1nc2ccccc2s1)c1cnccn1,0,0.0,
+O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(=O)n(Cc2ccccc2)n1,0,0.0,
+O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccncc1,0,0.0,
+O=C(OCc1nnc(-c2ccccc2)o1)C1=COCCO1,0,0.0,
+O=C(OCc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(OCc1nnc(-c2ccccc2)o1)c1cc(=O)c2ccccc2o1,0,0.0,
+O=C(OCc1nnc(-c2ccccc2)o1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl,0,0.0,
+O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0.0,
+O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O,0,0.0,
+O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2,0,0.0,
+O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2ccccc2n1,0,0.0,
+O=C(OCc1nnc(-c2ccccc2)o1)c1ccco1,0,0.0,
+O=C(OCc1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nc1-c1ccccc1,0,0.0,
+O=C(OCn1cncn1)c1ccc(Cl)cc1Cl,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)C1=COCCO1,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)C1CCCCC1,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)C1COc2ccccc2O1,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)c1cc2ccccc2o1,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)c1ccc(Br)o1,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)c1ccc2c(=O)n3c(nc2c1)CCC3,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)c1ccc2ccccc2n1,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)c1ccc2ncsc2c1,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)c1cccnc1,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)c1cccs1,0,0.0,
+O=C(OCn1nnc2ccccc2c1=O)c1cn(-c2ccccc2)nc1-c1cccnc1,0,0.0,
+O=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1ccc(F)cc1,0,0.0,
+O=C(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCCCC1,0,0.0,
+O=C(Oc1cc(=O)oc2ccccc12)c1ccco1,0,0.0,
+O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccco1,0,0.0,
+O=C(Oc1ccc(-c2ccccc2)cc1)N1CCCCC1,0,0.0,
+O=C(Oc1ccc(-c2ccccc2)cc1)N1CCOCC1,0,0.0,
+O=C(Oc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccccc1,0,0.0,
+O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccco1,0,0.0,
+O=C(Oc1ccc(-c2nc(-c3ccccn3)no2)cc1)c1ccccc1,0,0.0,
+O=C(Oc1ccc(-c2nnco2)cc1)N(c1ccccc1)c1ccccc1,1,100.0,1.0
+O=C(Oc1ccc(-c2nnco2)cc1)N1CCCCC1,0,0.0,
+O=C(Oc1ccc(-c2nnco2)cc1)N1CCOCC1,0,0.0,
+O=C(Oc1ccc(-n2cnnn2)cc1)c1ccco1,0,0.0,
+O=C(Oc1ccc(/C=N/O)cc1)c1ccccc1,0,0.0,
+O=C(Oc1ccc(Br)cc1)C1CC(=O)N(c2ccc(F)cc2)C1,0,0.0,
+O=C(Oc1ccc(Cl)c2cccnc12)N1CCCCC1,0,0.0,
+O=C(Oc1ccc(Cl)c2cccnc12)N1CCOCC1,0,0.0,
+O=C(Oc1ccc(Cl)cc1)N1CCCCC1,0,0.0,
+O=C(Oc1ccc(Cl)cc1N1C(=O)CCC1=O)c1ccco1,0,0.0,
+O=C(Oc1ccc(N(Cc2cccs2)C2=NS(=O)(=O)c3ccccc32)cc1)c1ccco1,0,0.0,
+O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)c1ccco1,0,0.0,
+O=C(Oc1ccc(OC(=O)N2CCCCC2)cc1)c1ccccc1,1,100.0,1.0
+O=C(Oc1ccc(OC(=O)N2CCOCC2)cc1)c1ccccc1,0,0.0,
+O=C(Oc1ccc(OC(=O)c2ccncc2)cc1)c1ccncc1,0,0.0,
+O=C(Oc1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1)c1ccco1,0,0.0,
+O=C(Oc1ccc2c(=O)c(Cl)coc2c1)c1ccncc1,0,0.0,
+O=C(Oc1ccc2c(c1)CCC2)N1CCOCC1,0,0.0,
+O=C(Oc1ccc2c(c1)OCC2=O)c1ccccc1,0,0.0,
+O=C(Oc1ccc2c(c1)OCO2)c1cc2c(s1)CCC2,0,0.0,
+O=C(Oc1ccc2c(c1)OCO2)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C(Oc1ccc2c(c1)OCO2)c1ccc(F)cc1Cl,0,0.0,
+O=C(Oc1ccc2c(c1)OCO2)c1cccs1,0,0.0,
+O=C(Oc1ccc2c(c1)OCO2)c1ccncc1,0,0.0,
+O=C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccco1,0,0.0,
+O=C(Oc1ccc2ccc(=O)oc2c1)N1CCOCC1,0,0.0,
+O=C(Oc1ccc2ccc(OC(=O)N3CCOCC3)cc2c1)N1CCOCC1,0,0.0,
+O=C(Oc1ccc2cccc(OC(=O)N3CCOCC3)c2c1)N1CCOCC1,0,0.0,
+O=C(Oc1ccc2ccccc2c1)c1ccco1,0,0.0,
+O=C(Oc1ccc2oc(=O)sc2c1)c1ccccc1F,0,0.0,
+O=C(Oc1cccc(-n2cnnn2)c1)C1CCCCC1,0,0.0,
+O=C(Oc1cccc(-n2cnnn2)c1)c1sc2ccccc2c1Cl,0,0.0,
+O=C(Oc1cccc(Br)c1)c1cccnc1,0,0.0,
+O=C(Oc1cccc(C(=O)N2CCOCC2)c1)c1ccc(Br)cc1,0,0.0,
+O=C(Oc1cccc(N2C(=O)CCC2=O)c1)C1CC(=O)N(c2ccc(Br)cc2)C1,0,0.0,
+O=C(Oc1cccc(N2C(=O)CCC2=O)c1)C1CC(=O)N(c2ccc(F)cc2)C1,0,0.0,
+O=C(Oc1cccc(Oc2ccccc2)c1)N1CCOCC1,0,0.0,
+O=C(Oc1cccc2c(=O)[nH]ccc12)c1ccccc1,0,0.0,
+O=C(Oc1cccc2c(O)cccc12)c1ccccc1,0,0.0,
+O=C(Oc1cccc2c(OC(=O)N3CCOCC3)cccc12)N1CCOCC1,0,0.0,
+O=C(Oc1cccc2ccccc12)c1ccco1,0,0.0,
+O=C(Oc1cccc2cccnc12)N1CCCC1,0,0.0,
+O=C(Oc1cccc2cccnc12)c1ccc(Br)o1,0,0.0,
+O=C(Oc1cccc2cccnc12)c1ccc2c(c1)OCCO2,0,0.0,
+O=C(Oc1cccc2cccnc12)c1cccc(-n2cnnn2)c1,0,0.0,
+O=C(Oc1cccc2cccnc12)c1cccs1,0,0.0,
+O=C(Oc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(Oc1ccccc1)c1c(Cl)cccc1P(=O)(O)O,0,0.0,
+O=C(Oc1ccccc1)c1cc2ccccc2o1,0,0.0,
+O=C(Oc1ccccc1)c1ccc(-n2cnnn2)cc1,0,0.0,
+O=C(Oc1ccccc1)c1ccc(COC(=O)c2cnccn2)cc1,0,0.0,
+O=C(Oc1ccccc1)c1ccc2nccnc2c1,0,0.0,
+O=C(Oc1ccccc1)c1cccc(COC(=O)c2cnccn2)c1,0,0.0,
+O=C(Oc1ccccc1)c1cccc(N2C(=O)CCC2=O)c1,0,0.0,
+O=C(Oc1ccccc1)c1cccc2cccnc12,0,0.0,
+O=C(Oc1ccccc1C(=O)N1CCOCC1)c1cccc(Br)c1,0,0.0,
+O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccccc1,0,0.0,
+O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1ccco1,0,0.0,
+O=C(Oc1ccccc1N1C(=O)CCC1=O)c1ccco1,0,0.0,
+O=C(Oc1ccccc1OC(=O)N1CCOCC1)N1CCOCC1,0,0.0,
+O=C(Oc1cccnc1)c1cc2ccccc2oc1=O,0,0.0,
+O=C(Oc1cccnc1)c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C(Oc1cccnc1)c1ccc(Cl)cc1,0,0.0,
+O=C(Oc1cccnc1)c1cccc(Cl)c1,0,0.0,
+O=C(Oc1cccnc1)c1ccco1,0,0.0,
+O=C(Oc1ccnc2cc(Cl)ccc12)N1CCCCCC1,0,0.0,
+O=C(Oc1ccnc2cc(Cl)ccc12)N1CCOCC1,0,0.0,
+O=C(Oc1nsnc1N1CCCCC1)N1CCOCC1,0,0.0,
+O=C(Oc1nsnc1N1CCOCC1)N(c1ccccc1)c1ccccc1,0,0.0,
+O=C(Oc1nsnc1N1CCOCC1)N1CCCCC1,0,0.0,
+O=C(Oc1nsnc1N1CCOCC1)N1CCOCC1,0,0.0,
+O=C(Oc1oc(-c2ccco2)nc1C=Nc1ccccc1)c1ccco1,0,0.0,
+O=C(Oc1oc(-c2ccco2)nc1C=Nc1ccccc1)c1ccoc1,0,0.0,
+O=C(Sc1nnnn1C1CCCCC1)c1cccs1,0,0.0,
+O=C(c1c(-c2ccccc2)oc2ccc(O)cc12)N1CCOCC1,0,0.0,
+O=C(c1c(Cl)cccc1Cl)N1CCCCCC1,0,0.0,
+O=C(c1c(Cl)cccc1Cl)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1c(Cl)nc2sccn12)N(C(=O)c1c(Cl)nc2sccn12)c1ccc(Cl)cn1,0,0.0,
+O=C(c1c(Cl)nc2sccn12)N1CCCc2ccccc21,0,0.0,
+O=C(c1c(Cl)nc2sccn12)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc21,0,0.0,
+O=C(c1c(F)cccc1F)N(Cc1ccccn1)C1CCCC1,0,0.0,
+O=C(c1c(F)cccc1F)N1CCC(O)(c2cccnc2)CC1,0,0.0,
+O=C(c1c(F)cccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C(c1c(F)cccc1F)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(c1c(O)c2ccccc2oc1=O)C1CCC1,0,0.0,
+O=C(c1c[nH]c(=O)n(-c2ccccc2)c1=O)N1CCc2ccccc21,0,0.0,
+O=C(c1c[nH]c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1=O)N1CCOCC1,0,0.0,
+O=C(c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)N1CCCC1,0,0.0,
+O=C(c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1c[nH]c2ccccc12)C(O)C(c1ccccc1)N1CCOCC1,0,0.0,
+O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCCC1,0,0.0,
+O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCCCC1,0,0.0,
+O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCOCC1,0,0.0,
+O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCOCC1,0,0.0,
+O=C(c1cc(-c2ccc(F)cc2)on1)N1CCCC1,0,0.0,
+O=C(c1cc(-c2ccc(O)cc2)on1)N1CCCc2ccccc21,0,0.0,
+O=C(c1cc(-c2ccc(O)cc2)on1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCOCC1,0,0.0,
+O=C(c1cc(-c2cccc(O)c2)on1)N1CCCCC1,0,0.0,
+O=C(c1cc(-c2cccc(O)c2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(c1cc(-c2cccc(O)c2)on1)N1CCOCC1,0,0.0,
+O=C(c1cc(-c2cccc(O)c2)on1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCOCC1,0,0.0,
+O=C(c1cc(-c2ccccc2)on1)N1CCCC1,0,0.0,
+O=C(c1cc(-c2ccccc2)on1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(c1cc(-c2ccccc2)on1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1cc(-c2ccccc2O)on1)N1CCCC1,0,0.0,
+O=C(c1cc(-c2ccccc2O)on1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cc(-c2ccccn2)nc2c(Cl)cccc12)N1CCN(C(=O)C2CCCO2)CC1,0,0.0,
+O=C(c1cc(-c2cccnc2)nc2ccc(Br)cc12)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc(-c2cccnc2)nc2ccc(Br)cc12)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc12)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc(-c2ccco2)nn1-c1cccc(Cl)c1)N1CCCCC1,0,0.0,
+O=C(c1cc(-c2ccco2)on1)N1CCCc2ccccc21,0,0.0,
+O=C(c1cc(-c2ccco2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,1,100.0,0.0
+O=C(c1cc(-c2ccco2)on1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cc(-c2ccco2)on1)N1CCOCC1,0,0.0,
+O=C(c1cc(-c2ccco2)on1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cc(-c2cccs2)on1)N1CCCCC1,0,0.0,
+O=C(c1cc(-c2cccs2)on1)N1CCCc2ccccc21,0,0.0,
+O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cc(-c2cccs2)on1)N1CCOCC1,0,0.0,
+O=C(c1cc(-c2cccs2)on1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cc(-c2ccncc2)nc2ccc(Br)cc12)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCN(C(=O)C2CCCO2)CC1,0,0.0,
+O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0.0,
+O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cc(-n2cnnc2)ccc1Cl)N1CCN(c2nc(-c3ccccc3)cs2)CC1,0,0.0,
+O=C(c1cc(-n2cnnc2)ccc1Cl)N1CCOCC1,0,0.0,
+O=C(c1cc(=O)[nH]c2ccc(Br)cc12)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc(=O)c2ccccc2o1)N1CCCc2ccccc21,0,0.0,
+O=C(c1cc(Br)ccc1Cl)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc(C2CC2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(c1cc(C2CC2)on1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1cc(C2CC2)on1)N1CCOCC1,0,0.0,
+O=C(c1cc(Cl)cc(Cl)c1)N1CCOCC1,0,0.0,
+O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cc(Cl)ccc1Cl)N1CCOCC1,0,0.0,
+O=C(c1cc(F)c(F)cc1Cl)N1CCCCC1,0,0.0,
+O=C(c1cc(F)c(F)cc1Cl)N1CCOCC1,0,0.0,
+O=C(c1cc(N2CCCCC2)nc2ccccc12)N1CCOCC1,0,0.0,
+O=C(c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1N1CCOCC1)N1CCOCC1,0,0.0,
+O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1F)N1CCCCC1,0,0.0,
+O=C(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)N1CCCCC1,0,0.0,
+O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCCc2ccccc21,0,0.0,
+O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCOCC1,0,0.0,
+O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCN(CCO)CC1,0,0.0,
+O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCCC1,0,0.0,
+O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cc2c(s1)CCC2)N1C(=O)c2ccccc2S1(=O)=O,0,0.0,
+O=C(c1cc2c(s1)CCCC2)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc2c(s1)CCCC2)N1CCN(C(=O)C2CCCO2)CC1,0,0.0,
+O=C(c1cc2c(s1)CCCC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1cc2c(s1)CCCC2)n1cccn1,0,0.0,
+O=C(c1cc2c(s1)CCCCC2)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1cc2c(s1)CCCCCC2)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCOCC1,0,0.0,
+O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCCC1,0,0.0,
+O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCOCC1,0,0.0,
+O=C(c1cc2cc3ccc(Cl)cc3nc2o1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc2cc3ccc(Cl)cc3nc2o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21,0,0.0,
+O=C(c1cc2ccccc2c(=O)o1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cc2ccccc2cc1OCC(O)CN1CCCCC1)N1CCCCC1,0,0.0,
+O=C(c1cc2ccccc2o1)N1CCCCCC1,0,0.0,
+O=C(c1cc2ccccc2o1)N1CCN(c2ccccc2Cl)CC1,0,0.0,
+O=C(c1cc2ccccc2o1)N1CCN=C1SCc1cccc(F)c1,0,0.0,
+O=C(c1cc2ccccc2o1)N1CCN=C1SCc1cccnc1,0,0.0,
+O=C(c1cc2ccccc2o1)c1cccs1,0,0.0,
+O=C(c1cc2ccccc2o1)c1nc2c(n1O)CCCCC2,0,0.0,
+O=C(c1cc2ccccc2o1)n1nnc2ccccc21,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N(Cc1ccc2c(c1)OCO2)Cc1ccco1,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)CC1CCCO1,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)Cc1cccs1,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N1CCC2(CC1)OCCO2,1,100.0,0.0
+O=C(c1cc2ccccc2oc1=O)N1CCCC1,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N1CCCN(C(=O)c2cc3ccccc3oc2=O)CC1,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N1CCN(C(=O)C2CCCO2)CC1,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N1CCN(CCc2ccccc2)CC1,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cc2ccccc2oc1=O)N1CCSC1c1ccco1,0,0.0,
+O=C(c1cc2ccccn2n1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc2ccccn2n1)N1CCCC1,0,0.0,
+O=C(c1cc2ccccn2n1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(c1cc2ccccn2n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C(c1cc2ccccn2n1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Cl)cc1)N2)N1CCCC1,0,0.0,
+O=C(c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(F)cc1)N2)N1CCCC1,0,0.0,
+O=C(c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCCC1,0,0.0,
+O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCOCC1,0,0.0,
+O=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCC1,0,0.0,
+O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCCCCC1,0,0.0,
+O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCCc2ccccc21,0,0.0,
+O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1)N1CCCC1,0,0.0,
+O=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCOCC1,0,0.0,
+O=C(c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)N1CCN2CCCC2C1,1,100.0,1.0
+O=C(c1cc2ncc(Br)cn2n1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(c1cc2ncc(Br)cn2n1)N1CCOCC1,0,0.0,
+O=C(c1cc2sccc2n1Cc1ccccc1)N1CCc2ccccc21,0,0.0,
+O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCOCC1,0,0.0,
+O=C(c1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCCC2)CC1,0,0.0,
+O=C(c1ccc(-c2ccccc2)cc1)N1CCCC1,0,0.0,
+O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccccn2)CC1,0,0.0,
+O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccccc3o2)CC1,0,0.0,
+O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCCCC1,0,0.0,
+O=C(c1ccc(-n2cnnn2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,1,100.0,1.0
+O=C(c1ccc(-n2cnnn2)cc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1,0,0.0,
+O=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1,0,0.0,
+O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(=O)oc1)N1CCCc2ccccc21,0,0.0,
+O=C(c1ccc(=O)oc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,1,100.0,1.0
+O=C(c1ccc(=O)oc1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1ccc(=O)oc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(Br)cc1)C1CCc2occc2C1=O,0,0.0,
+O=C(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(Br)o1)N(Cc1ccccc1)c1ccccn1,0,0.0,
+O=C(c1ccc(Br)o1)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(c1ccc(Br)o1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(Br)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1ccc(Br)o1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1ccc(Br)o1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1,1,100.0,1.0
+O=C(c1ccc(Br)o1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(c1ccc(Br)o1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1ccc(Br)o1)N1CCN=C1SCc1cccc(F)c1,0,0.0,
+O=C(c1ccc(Br)o1)N1CCN=C1SCc1cccnc1,0,0.0,
+O=C(c1ccc(Br)s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1ccc(Br)s1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1ccc(C#CC2(O)CCCCC2)cc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(C#Cc2ccccc2)o1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1ccc(C(=O)N2CCCc3ccccc32)nc1)N1CCCc2ccccc21,0,0.0,
+O=C(c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)nc1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(c1ccc(C(=O)N2CCOCC2)nc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(C(F)(F)F)cc1)N1CCCCC1,0,0.0,
+O=C(c1ccc(C23CC4CC(CC(C4)C2)C3)o1)N1CCOCC1,0,0.0,
+O=C(c1ccc(CN2CCOCC2)cc1)N1CCC(Cc2ccccc2)CC1,0,0.0,
+O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCCCC1,0,0.0,
+O=C(c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC1,0,0.0,
+O=C(c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1ccc(CNc2c(N3CCOCC3)c(=O)c2=O)cc1)N1CC=C(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(COCC(F)(F)F)o1)N1CCCCCC1,0,0.0,
+O=C(c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1)N1CCOCC1,0,0.0,
+O=C(c1ccc(COc2c(F)c(F)cc(F)c2F)o1)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1ccc(COc2ccc(F)cc2)o1)n1cccn1,0,0.0,
+O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(COc2ccccc2Br)o1)N1CCCCCC1,0,0.0,
+O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1)N1CCCC1,0,0.0,
+O=C(c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)N1CCCC1,0,0.0,
+O=C(c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)N1CCN(c2ccccn2)CC1,1,100.0,
+O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCCC1,0,0.0,
+O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCCCCC1,0,0.0,
+O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCOCC1,0,0.0,
+O=C(c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCOCC1,0,0.0,
+O=C(c1ccc(CSCc2ccccc2F)o1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,1,100.0,1.0
+O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccco1)c1ccc(O)cc1,0,0.0,
+O=C(c1ccc(Cl)c(Cl)c1)N1CCOCC1,0,0.0,
+O=C(c1ccc(Cl)c(F)c1F)N1CCCC1,0,0.0,
+O=C(c1ccc(Cl)cc1)C12CN3CN(CN(C3)C1)C2,0,0.0,
+O=C(c1ccc(Cl)cc1)C1C2C(=O)N(c3ccccc3)C(=O)C2C2CCCN21,0,0.0,
+O=C(c1ccc(Cl)cc1)C1CCN(C(=O)N2CCOCC2)CC1,0,0.0,
+O=C(c1ccc(Cl)cc1)C1CCN(C(=O)NC2CCCCC2)CC1,0,0.0,
+O=C(c1ccc(Cl)cc1)N(Cc1cccs1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1ccc(Cl)cc1)N1CCC(c2nc(-c3cccs3)no2)CC1,0,0.0,
+O=C(c1ccc(Cl)cc1)N1CCCCC(Sc2nnc(-c3ccc4c(c3)OCO4)o2)C1=O,0,0.0,
+O=C(c1ccc(Cl)cc1)N1CCCOC1,0,0.0,
+O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(c1ccc(Cl)cc1)N1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1,0,0.0,
+O=C(c1ccc(Cl)cc1)N1CCSCC1,0,0.0,
+O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCOCC2)cc1,0,0.0,
+O=C(c1ccc(Cl)cc1)c1ccc(OCC(O)CN2CCOCC2)cc1,0,0.0,
+O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCOCC1,0,0.0,
+O=C(c1ccc(Cl)cc1)c1nnc(-c2ccncc2)o1,0,0.0,
+O=C(c1ccc(Cl)cc1Cl)C1(n2cncn2)Oc2ccccc2C1O,0,0.0,
+O=C(c1ccc(Cl)cc1Cl)N1CCC(c2nc3c(nnn3Cc3ccco3)c(=O)[nH]2)CC1,0,0.0,
+O=C(c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(Cl)s1)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+O=C(c1ccc(Cl)s1)N1CCOCC1,0,0.0,
+O=C(c1ccc(Cl)s1)N1CCc2ccccc21,0,0.0,
+O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(Cn2cc(Br)cn2)o1)n1cccn1,0,0.0,
+O=C(c1ccc(Cn2cc(Cl)cn2)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1ccc(F)cc1)C(CN1CCOCC1)c1ccccc1,0,0.0,
+O=C(c1ccc(F)cc1)C1CCN(C(=O)N2CCOCC2)CC1,0,0.0,
+O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccncc2)CC1,0,0.0,
+O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,0,0.0,
+O=C(c1ccc(F)cc1)N(Cc1ccccc1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1ccc(F)cc1)N1C2CCC1CC(O)(c1ccccc1F)C2,0,0.0,
+O=C(c1ccc(F)cc1)N1CCC(N2CCCCCC2)CC1,0,0.0,
+O=C(c1ccc(F)cc1)N1CCC(O)(c2cccnc2)CC1,0,0.0,
+O=C(c1ccc(F)cc1)N1CCCCC(Sc2nnc3ccccn23)C1=O,0,0.0,
+O=C(c1ccc(F)cc1)N1CCN(C2CC3CCC2C3)CC1,0,0.0,
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Br)CC1,0,0.0,
+O=C(c1ccc(F)cc1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1ccc(F)cc1)c1cc2ccccc2o1,0,0.0,
+O=C(c1ccc(F)cc1)c1ccc(N2CCCC2)cc1,0,0.0,
+O=C(c1ccc(F)cc1)c1cn[nH]c1-c1ccccc1O,0,0.0,
+O=C(c1ccc(F)cc1F)N(Cc1ccccn1)Cc1ccco1,0,0.0,
+O=C(c1ccc(N2C(=O)C3CC=C(Cl)CC3C2=O)cc1)N1CCCCC1,0,0.0,
+O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(N2CCCC2=O)cc1)N1CCCCCC1,0,0.0,
+O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(N2CCCC2=O)cc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0.0,
+O=C(c1ccc(N2CCNCC2)cc1)c1cccnc1,0,0.0,
+O=C(c1ccc(N2CCOCC2)cc1)c1cccs1,0,0.0,
+O=C(c1ccc(N2CCOCC2)nc1)N1CCCCC1,0,0.0,
+O=C(c1ccc(N2CCOCC2)nc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(N2CN(C(=O)c3ccco3)c3nc4ccccc4nc32)cc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(c1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCC1,0,0.0,
+O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCCCC1,0,0.0,
+O=C(c1ccc(Nc2cccc(C(F)(F)F)c2)nc1)N1CCCC1,0,0.0,
+O=C(c1ccc(O)cc1)c1ccc(C(=O)O)c(C(=O)O)c1,0,0.0,
+O=C(c1ccc(O)cc1)c1ccc(Cl)cc1,0,0.0,
+O=C(c1ccc(OCC2CCCO2)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1)N1CCOCC1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCc2ccccc21,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCc2ccccc21,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN=C1SCc1cccnc1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccc(Cl)cc2)o1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ccccn2)CC1,1,100.0,1.0
+O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccco1)Cc1cccs1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2)CC1,1,100.0,0.0
+O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN=C1SCc1cccnc1,0,0.0,
+O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1ccc(S(=O)(=O)NCC2CCCO2)cc1)N1CCc2ccccc21,0,0.0,
+O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCOCC1,0,0.0,
+O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCCCC1,0,0.0,
+O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1)N1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(c1ccc2c(=O)n(CC3CCCO3)c(=S)[nH]c2c1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1)N1CCCCC1,0,0.0,
+O=C(c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc2c(c1)C(=O)N(CCCO)C2=O)c1ccc2c(c1)C(=O)N(CCCO)C2=O,0,0.0,
+O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CCOCC1,0,0.0,
+O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2O)N1CCOCC1,0,0.0,
+O=C(c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2)N1CCOCC1,0,0.0,
+O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2)N1CCOCC1,0,0.0,
+O=C(c1ccc2c(c1)OCCCO2)c1cccs1,0,0.0,
+O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1,0,0.0,
+O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1,0,0.0,
+O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccccc2F)CC1,0,0.0,
+O=C(c1ccc2c(c1)OCCO2)N(c1ccccn1)C1CCCCC1,0,0.0,
+O=C(c1ccc2c(c1)OCCO2)N1CCCCC1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N(CC1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N(c1ccccc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N1CCCC(c2ccccc2)C1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N1CCCc2ccccc21,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N1CCN=C1SCc1ccccc1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N1CCN=C1SCc1cccnc1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N1CCNc2ccccc2C1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)N1CCc2ccccc2C1,0,0.0,
+O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C2c3ccccc3C=CN21,0,0.0,
+O=C(c1ccc2c(c1)OCO2)n1nnc2ccccc21,0,0.0,
+O=C(c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1ccc2c(c1)c(=O)oc1ccccc12)N1CCCCC1,0,0.0,
+O=C(c1ccc2c(c1)ncn2C1CCCCC1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1ccc2c(c1)ncn2C1CCCCCC1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1ccc2c3c(cccc13)C(=O)N(O)C2=O)N1CCCCC1,0,0.0,
+O=C(c1ccc2c3c(cccc13)CC2)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1ccc2c3c(cccc13)CC2)N1CCOCC1,0,0.0,
+O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(O)cc2)CC1,0,0.0,
+O=C(c1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,1,100.0,0.0
+O=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCCC1,0,0.0,
+O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(c1ccc2nc3ccc(Cl)cc3c(=O)n2c1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1ccc2nccnc2c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1ccc2snnc2c1)N1CCCC1,0,0.0,
+O=C(c1ccc2snnc2c1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1ccc2snnc2c1)N1CCOCC1,0,0.0,
+O=C(c1ccc2snnc2c1)N1CCSCC1,0,0.0,
+O=C(c1cccc(-c2nnc(-c3ccccc3)o2)c1)N1CCCCC1,0,0.0,
+O=C(c1cccc(-n2cnnn2)c1)N1CC=C(c2ccccc2)CC1,0,0.0,
+O=C(c1cccc(-n2cnnn2)c1)N1CCOCC1,0,0.0,
+O=C(c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(c1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(c1cccc(C(=O)N2CCN(c3ccccc3F)CC2)n1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1cccc(C(=O)N2CCc3ccccc32)n1)N1CCc2ccccc21,0,0.0,
+O=C(c1cccc(C(F)(F)F)c1)N1CCCC1,0,0.0,
+O=C(c1cccc(C(F)(F)F)c1)N1CCCCCC1,0,0.0,
+O=C(c1cccc(C(F)(F)F)c1)N1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(c1cccc(COCC(F)(F)C(F)F)c1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cccc(COc2ccc(Cl)cc2Cl)c1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cccc(Cl)c1)N(Cc1cccs1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1cccc(Cl)c1)N1CCCC(C(=O)N2CCCCCC2)C1,0,0.0,
+O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2F)CC1,0,0.0,
+O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(c1cccc(Cl)c1)N1CCN(C2CCCCCC2)CC1,0,0.0,
+O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2F)CC1,0,0.0,
+O=C(c1cccc(Cl)c1)N1CCN(Cc2ccncc2)CC1,0,0.0,
+O=C(c1cccc(Cl)c1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cccc(F)c1)N1C2C=CC(C2)C1(C(F)(F)F)C(F)(F)F,0,0.0,
+O=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCCC2)C1,0,0.0,
+O=C(c1cccc(F)c1)N1CCN(C(=O)C2CC2)CC1,0,0.0,
+O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1,0,0.0,
+O=C(c1cccc(F)c1)N1CCN(C(=O)c2nn3cccnc3c2Cl)CC1,0,0.0,
+O=C(c1cccc(F)c1)N1CCN(CC2CC3C=CC2C3)CC1,0,0.0,
+O=C(c1cccc(F)c1)N1CCN(Cc2c[nH]c3ccccc23)CC1,0,0.0,
+O=C(c1cccc(F)c1)N1CCN(Cc2ccco2)CC1,0,0.0,
+O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,0,0.0,
+O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(c1cccc(F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C(c1cccc(F)c1)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(c1cccc(F)c1)N1CCN=C1SCc1cccnc1,0,0.0,
+O=C(c1cccc(F)c1)N1CCc2ccccc21,0,0.0,
+O=C(c1cccc(F)c1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cccc(F)c1)n1nnc2ccccc21,0,0.0,
+O=C(c1cccc(N2C(=O)C3CC=CCC3C2=O)c1)N1CCCCCC1,0,0.0,
+O=C(c1cccc(N2C(=O)C3CC=CCC3C2=O)c1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cccc(N2CCCC2=O)c1)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1cccc(N2CCCC2=O)c1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cccc(OC(F)F)c1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)c1nnc(-c2ccncc2)o1,0,0.0,
+O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC1,0,0.0,
+O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCOCC1,0,0.0,
+O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1,0,0.0,
+O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCCCC1,0,0.0,
+O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCc2ccccc21,0,0.0,
+O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1,0,0.0,
+O=C(c1cccc(S(=O)(=O)NCCOc2ccccc2)c1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1cccc2c1-c1ccccc1/C2=N/O)N1CCCCC1,0,0.0,
+O=C(c1cccc2c1C(=O)N(Cc1cccnc1)C2)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cccc2cccc(O)c12)N1CCCCC1,0,0.0,
+O=C(c1cccc2ccccc12)N1CCC(N2CCN(c3ccccc3)CC2)CC1,0,0.0,
+O=C(c1cccc2ccccc12)N1CCN(CC2CC=CCC2)CC1,0,0.0,
+O=C(c1cccc2ccccc12)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(c1ccccc1)C(CCC(CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1,0,0.0,
+O=C(c1ccccc1)C(Sc1ncn[nH]1)c1ccccc1,0,0.0,
+O=C(c1ccccc1)C1C(=O)c2ccccc2C1=O,0,0.0,
+O=C(c1ccccc1)C1CCc2occc2C1=O,0,0.0,
+O=C(c1ccccc1)N(CCN1CCOCC1)C1(C(=O)Nc2ccccc2)CCCCC1,0,0.0,
+O=C(c1ccccc1)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+O=C(c1ccccc1)N(Cc1ccccc1)c1ccccn1,0,0.0,
+O=C(c1ccccc1)N(Cc1cccs1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1ccccc1)N(c1ccccc1)C1C=CS(=O)(=O)C1,0,0.0,
+O=C(c1ccccc1)N1CC(COc2ccccc2)OC(c2cccnc2)O1,1,100.0,0.0
+O=C(c1ccccc1)N1CC(COc2ccccc2)OC(c2ccco2)O1,0,0.0,
+O=C(c1ccccc1)N1CCCC(C(=O)N2CCCCCC2)C1,0,0.0,
+O=C(c1ccccc1)N1CCCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)C1,0,0.0,
+O=C(c1ccccc1)N1CCCCC(S(=O)(=O)c2ccccc2)C1=O,0,0.0,
+O=C(c1ccccc1)N1CCCCC(Sc2nnc3ccccn23)C1=O,0,0.0,
+O=C(c1ccccc1)N1CCCCC(Sc2nnnn2-c2ccccc2)C1=O,0,0.0,
+O=C(c1ccccc1)N1CCCOC1c1ccccc1,0,0.0,
+O=C(c1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(C(=O)N2CCCCC2)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2Br)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(C2CC(=O)N(CCc3ccccc3)C2=O)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(C2CC3CCC2C3)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(C2CCCCCC2)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(CC#CC2(O)CCCCC2)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(CC#Cc2ccccc2)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(CC(O)COCC2CC=CCC2)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(CC2CC=CCC2)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(Cc2c[nH]c3ccccc23)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(Cc2ccccc2Br)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(c2ccc(NCc3ccc4c(c3)OCO4)cc2)CC1,0,0.0,
+O=C(c1ccccc1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(c1ccccc1)N1CCn2c(nc3ccccc32)C1,0,0.0,
+O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21,0,0.0,
+O=C(c1ccccc1)c1c[nH]c2cc3c(cc2c1=O)OCCO3,0,0.0,
+O=C(c1ccccc1)c1c[nH]c2cc3c(cc2c1=O)OCO3,0,0.0,
+O=C(c1ccccc1)c1cc(-c2ccccc2)on1,0,0.0,
+O=C(c1ccccc1)c1cc(F)c(N2CCOCC2)cc1Cl,0,0.0,
+O=C(c1ccccc1)c1cc2ccccc2o1,0,0.0,
+O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1,0,0.0,
+O=C(c1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1,0,0.0,
+O=C(c1ccccc1)c1ccc(CN2C(=O)c3ccccc3C2=O)o1,0,0.0,
+O=C(c1ccccc1)c1ccc(N2CCCC2)cc1,0,0.0,
+O=C(c1ccccc1)c1ccc(N2CCNCC2)cc1,0,0.0,
+O=C(c1ccccc1)c1ccc(N2CCOCC2)c(F)c1,0,0.0,
+O=C(c1ccccc1)c1ccc(N2CCOCC2)c(NC(=O)c2ccco2)c1,0,0.0,
+O=C(c1ccccc1)c1ccc(OC(=O)N2CCCC2)cc1,0,0.0,
+O=C(c1ccccc1)c1ccc(OC(=O)N2CCOCC2)cc1,0,0.0,
+O=C(c1ccccc1)c1ccc(OCC(O)CN2CCCCC2)cc1,1,100.0,1.0
+O=C(c1ccccc1)c1ccc(OCC(O)CN2CCOCC2)cc1,0,0.0,
+O=C(c1ccccc1)c1ccc(Oc2ncccn2)cc1,0,0.0,
+O=C(c1ccccc1)c1ccc2nc(N3CCCCC3)c3nncn3c2c1,0,0.0,
+O=C(c1ccccc1)c1ccc2nc(N3CCN(C(=O)c4ccco4)CC3)c3nncn3c2c1,0,0.0,
+O=C(c1ccccc1)c1ccc2nc[nH]c2c1,0,0.0,
+O=C(c1ccccc1)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+O=C(c1ccccc1)c1ccccc1C(=O)N1CCCC1,0,0.0,
+O=C(c1ccccc1)c1ccccc1C(=O)N1CCOCC1,0,0.0,
+O=C(c1ccccc1)c1cccn1CC(=O)N1CCCCCC1,0,0.0,
+O=C(c1ccccc1)c1cccn1CC(=O)N1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(c1ccccc1)c1cccn1CC(=O)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1ccccc1)c1cccn1CC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccccc1)c1ccncc1,0,0.0,
+O=C(c1ccccc1)c1cn(CC(=O)N2CCCC2)c2ccccc12,0,0.0,
+O=C(c1ccccc1)c1cn(CC(=O)N2CCOCC2)c2ccccc12,0,0.0,
+O=C(c1ccccc1)c1cncc(Br)c1,0,0.0,
+O=C(c1ccccc1)c1coc2ccc(O)c(CN3CCOCC3)c12,0,0.0,
+O=C(c1ccccc1)c1coc2ccc(O)c(Cl)c12,0,0.0,
+O=C(c1ccccc1)c1nc2ccccc2[nH]c1=O,0,0.0,
+O=C(c1ccccc1)c1nc[nH]c1C(=O)Nc1ccccc1,0,0.0,
+O=C(c1ccccc1)c1nc[nH]c1C(=O)Nc1ccccn1,0,0.0,
+O=C(c1ccccc1)c1nnc(-c2ccccc2F)o1,0,0.0,
+O=C(c1ccccc1)c1nnc(-c2ccncc2)o1,0,0.0,
+O=C(c1ccccc1)n1c(=S)nc2ccccn21,0,0.0,
+O=C(c1ccccc1)n1ccc2ccccc21,0,0.0,
+O=C(c1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1,0,0.0,
+O=C(c1ccccc1-c1ccccc1)N1CCCC1,0,0.0,
+O=C(c1ccccc1-c1ccccc1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1ccccc1-c1ccccc1)N1CCOCC1,0,0.0,
+O=C(c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCCC1,0,0.0,
+O=C(c1ccccc1-c1nc(-c2ccc(F)cc2)no1)N1CCCC1,0,0.0,
+O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCCC1,0,0.0,
+O=C(c1ccccc1-c1nc2ccccc2[nH]1)N1CCCCC1,0,0.0,
+O=C(c1ccccc1-c1nc2ccccc2[nH]1)N1CCOCC1,0,0.0,
+O=C(c1ccccc1/S(=N/S(=O)(=O)c1ccccc1)N1CCOCC1)N1CCOCC1,0,0.0,
+O=C(c1ccccc1Br)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1ccccc1C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccccc1C(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0.0,
+O=C(c1ccccc1CCc1ccccc1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1ccccc1CCc1ccccc1)N1CCOCC1,0,0.0,
+O=C(c1ccccc1Cl)N1CCC(c2nc3c(nnn3Cc3ccco3)c(=O)[nH]2)CC1,0,0.0,
+O=C(c1ccccc1Cl)N1CCCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)C1,0,0.0,
+O=C(c1ccccc1Cl)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1ccccc1Cl)N1CCc2ccccc2C1,0,0.0,
+O=C(c1ccccc1F)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1ccccc1F)N(Cc1ccccc1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1ccccc1F)N1CCC(N2CCCCCC2)CC1,0,0.0,
+O=C(c1ccccc1F)N1CCC(O)(c2cccnc2)CC1,0,0.0,
+O=C(c1ccccc1F)N1CCN(CC2CC3C=CC2C3)CC1,0,0.0,
+O=C(c1ccccc1F)N1CCN(Cc2cccc(Cl)c2)CC1,0,0.0,
+O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1,0,0.0,
+O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,0,0.0,
+O=C(c1ccccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1,1,100.0,0.0
+O=C(c1ccccc1F)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccccc1F)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=C(c1ccccc1F)N1CCN=C1SCc1cccnc1,0,0.0,
+O=C(c1ccccc1F)N1CCc2ccccc21,0,0.0,
+O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)s1)N1CCCC1,0,0.0,
+O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)s1)N1CCOCC1,0,0.0,
+O=C(c1ccccc1NS(=O)(=O)c1cccs1)N1CCCC1,0,0.0,
+O=C(c1ccccc1NS(=O)(=O)c1cccs1)N1CCOCC1,0,0.0,
+O=C(c1ccccc1OCc1ccccc1Br)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1ccccc1Oc1ccccc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1ccccc1Oc1nnnn1-c1ccccc1)N1CCOCC1,0,0.0,
+O=C(c1ccccc1S(=O)(=O)NCc1ccccc1)N1CCCC1,0,0.0,
+O=C(c1ccccc1S(=O)(=O)NCc1ccccc1)N1CCCCC1,0,0.0,
+O=C(c1ccccn1)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1,0,0.0,
+O=C(c1ccccn1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1,0,0.0,
+O=C(c1ccccn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,0,0.0,
+O=C(c1cccn2c(=O)c3cc(Br)ccc3nc12)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cccn2c(=O)c3cc(Cl)ccc3nc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1cccn2c(=O)c3cc(Cl)ccc3nc12)N1CCOCC1,0,0.0,
+O=C(c1cccn2c(=O)c3ccc(Cl)cc3nc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cccnc1)N(Cc1ccccc1)c1ccccc1,0,0.0,
+O=C(c1cccnc1)N1C2C=CC(C2)C1(C(F)(F)F)C(F)(F)F,0,0.0,
+O=C(c1cccnc1)N1C2CCC1CC(O)(c1ccc(F)cc1)C2,0,0.0,
+O=C(c1cccnc1)N1CCC(c2nc3ccccc3[nH]2)CC1,0,0.0,
+O=C(c1cccnc1)N1CCCc2ccccc21,0,0.0,
+O=C(c1cccnc1)N1CCN(C(=O)c2ccccc2F)CC1,0,0.0,
+O=C(c1cccnc1)N1CCN(C(=O)c2cccs2)CC1,0,0.0,
+O=C(c1cccnc1)N1CCN(CCCc2ccccc2)CC1,0,0.0,
+O=C(c1cccnc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,0,0.0,
+O=C(c1cccnc1)N1CCc2ccccc21,0,0.0,
+O=C(c1cccnc1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cccnc1NCc1ccc(F)cc1)N1CCOCC1,0,0.0,
+O=C(c1cccnc1NCc1ccccc1)N1CCOCC1,0,0.0,
+O=C(c1cccnc1Nc1ccc2c(c1)CCC2)N1CCOCC1,0,0.0,
+O=C(c1ccco1)C12CN3CN(CN(C3)C1)C2,0,0.0,
+O=C(c1ccco1)N(CC1CCCO1)c1nc(-c2ccccc2)cs1,0,0.0,
+O=C(c1ccco1)N(CCCN1CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1,0,0.0,
+O=C(c1ccco1)N(CCCN1CCOCC1)c1nc(-c2ccc(F)cc2)cs1,0,0.0,
+O=C(c1ccco1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1,0,0.0,
+O=C(c1ccco1)N(Cc1ccco1)c1ccc(O)cc1,0,0.0,
+O=C(c1ccco1)N(Cc1cccs1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1ccco1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1,0,0.0,
+O=C(c1ccco1)N(c1ccccn1)c1ccccn1,0,0.0,
+O=C(c1ccco1)N1C(=O)c2cccc3c(S(=O)(=O)N4CCCC4)ccc1c23,0,0.0,
+O=C(c1ccco1)N1C(=O)c2cccc3cccc1c23,0,0.0,
+O=C(c1ccco1)N1C2C=CC(C2)C1(C(F)(F)F)C(F)(F)F,0,0.0,
+O=C(c1ccco1)N1CCC(c2ccccc2)C1,0,0.0,
+O=C(c1ccco1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1,0,0.0,
+O=C(c1ccco1)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1,0,0.0,
+O=C(c1ccco1)N1CCC(n2nnc3ccccc32)CC1,0,0.0,
+O=C(c1ccco1)N1CCCC(c2ccccc2)C1,0,0.0,
+O=C(c1ccco1)N1CCCC(c2nc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)no2)C1,0,0.0,
+O=C(c1ccco1)N1CCCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(c1ccco1)N1CCCSC1=Nc1ccccc1,0,0.0,
+O=C(c1ccco1)N1CCN(/C(=N/S(=O)(=O)c2cccs2)c2ccccc2Cl)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(Cl)c(Cl)c3)=NO2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C2CCCO2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C2CCCc3c2[nH]c2ccc(Cl)cc32)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)C2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)N2CCOCC2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2cc3sccc3n2Cc2ccccc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)o2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2ccccc2OC(=O)C23CC4CC(CC(C4)C2)C3)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2cccn3c(=O)c4c5c(sc4nc23)CCCC5)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2cnn3c2NC(c2cccs2)CC3C(F)(F)F)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2cnn3cccnc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(=O)c2snc3ccc(Cl)cc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(c2ccc(Cl)cc2)c2nnnn2CC2CCCO2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(c2ccc(F)cc2)c2nnnn2CC2CCCO2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(c2ccccc2)c2nnnn2Cc2cccs2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(c2ccccc2Cl)c2nnnn2CC2CCCO2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(c2ccccc2Cl)c2nnnn2Cc2ccco2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(c2ccccc2Cl)c2nnnn2Cc2cccs2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(c2ccccc2F)c2nnnn2CC2CCCO2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(c2ccccc2F)c2nnnn2Cc2cccs2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(c2ccccn2)c2nnnn2C2CCCC2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(c2cccs2)c2nnnn2C2CCCCC2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C(c2cccs2)c2sc3ncnn3c2O)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(C2CCCC2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(CC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(CC(=O)N2CCCc3c2c(=O)oc2ccc(O)cc32)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(CC(O)COc2ccc3oc4ccccc4c3c2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(CC2CC3C=CC2C3)CC1,1,100.0,
+O=C(c1ccco1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,1,100.0,0.0
+O=C(c1ccco1)N1CCN(CCOCCOc2cccc3ccccc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(Cc2cccc(F)c2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(Cc2ccccc2C(F)(F)F)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(Cc2nnnn2CCc2ccccc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1,1,100.0,0.0
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccs2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2cc(C(F)(F)F)nc3ncnn23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2nc(C(F)(F)F)nc3c2nnn3Cc2ccccc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2nc3ccccc3c(=O)n2-c2ccccc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2nc3ccccc3n3nnnc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2nc3ccsc3c(=O)s2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccc(Br)cc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccccc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2ncnc3c2oc2ccccc23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1,0,0.0,
+O=C(c1ccco1)N1CCN(c2ncnc3scc(-c4cccs4)c23)CC1,0,0.0,
+O=C(c1ccco1)N1CCN=C1SCc1c(F)cccc1Cl,0,0.0,
+O=C(c1ccco1)N1CCN=C1SCc1ccc(F)cc1,0,0.0,
+O=C(c1ccco1)N1CCN=C1SCc1cccc(Cl)c1,1,100.0,0.0
+O=C(c1ccco1)N1CCN=C1SCc1cccc(F)c1,0,0.0,
+O=C(c1ccco1)N1CCN=C1SCc1ccccc1Cl,0,0.0,
+O=C(c1ccco1)N1CCN=C1SCc1ccccc1F,0,0.0,
+O=C(c1ccco1)N1CCN=C1SCc1cccnc1,0,0.0,
+O=C(c1ccco1)N1CCn2c1nc1ccccc12,0,0.0,
+O=C(c1ccco1)N1c2ccccc2Sc2ccccc21,0,0.0,
+O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2C2c3ccccc3C=CN21,0,0.0,
+O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2C2c3ccccc3C=CN21,0,0.0,
+O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C2c3ccccc3C=CN21,0,0.0,
+O=C(c1ccco1)c1cn(CC(=O)N2CCCCC2)c2ccccc12,0,0.0,
+O=C(c1ccco1)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12,0,0.0,
+O=C(c1ccco1)c1cn[nH]c1-c1ccc(Cl)cc1O,0,0.0,
+O=C(c1ccco1)c1n[nH]nc1-c1ccccc1,0,0.0,
+O=C(c1ccco1)c1nnn(Cc2ccccc2)c1-c1ccccc1,0,0.0,
+O=C(c1ccco1)n1c(=S)nc2ccccn21,0,0.0,
+O=C(c1ccco1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1,0,0.0,
+O=C(c1ccco1)n1nc(-c2ccccc2)nc1NCc1ccco1,0,0.0,
+O=C(c1ccco1)n1nc(NCc2ccccc2)nc1NCc1ccccc1,0,0.0,
+O=C(c1cccs1)C1CN2CCC1CC2,1,100.0,
+O=C(c1cccs1)N(C(=O)c1cccs1)c1ccccn1,0,0.0,
+O=C(c1cccs1)N(CC1CCCO1)c1nc(-c2ccccc2)cs1,0,0.0,
+O=C(c1cccs1)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,0,0.0,
+O=C(c1cccs1)N(Cc1cccc(Cl)c1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1cccs1)N(Cc1ccccn1)Cc1ccco1,0,0.0,
+O=C(c1cccs1)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1cccs1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O,0,0.0,
+O=C(c1cccs1)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCC1,0,0.0,
+O=C(c1cccs1)N1C2CCC1CC(O)(c1cccnc1)C2,0,0.0,
+O=C(c1cccs1)N1CCC(N2CCN(c3ccccc3)CC2)CC1,0,0.0,
+O=C(c1cccs1)N1CCC(c2ccccc2)C1,0,0.0,
+O=C(c1cccs1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)CC1,0,0.0,
+O=C(c1cccs1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)CC1,0,0.0,
+O=C(c1cccs1)N1CCC(c2nc3ccccc3s2)CC1,0,0.0,
+O=C(c1cccs1)N1CCCC(c2ccccc2)C1,0,0.0,
+O=C(c1cccs1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1,0,0.0,
+O=C(c1cccs1)N1CCCc2ccccc21,0,0.0,
+O=C(c1cccs1)N1CCN(C(=O)C2CCCO2)CC1,0,0.0,
+O=C(c1cccs1)N1CCN(C(=O)c2ccco2)c2ccccc2C1,0,0.0,
+O=C(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(c1cccs1)N1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(c1cccs1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1,1,100.0,1.0
+O=C(c1cccs1)N1CCN(CCc2ccccc2)CC1,0,0.0,
+O=C(c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1cccs1)N1CCN(Cc2cccnc2)CC1,0,0.0,
+O=C(c1cccs1)N1CCN(Cc2ccncc2)CC1,0,0.0,
+O=C(c1cccs1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1,0,0.0,
+O=C(c1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(c1cccs1)N1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=C(c1cccs1)N1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=C(c1cccs1)N1CCN=C1SCc1ccccc1,0,0.0,
+O=C(c1cccs1)N1CCN=C1SCc1cccnc1,0,0.0,
+O=C(c1cccs1)N1CCOCC1,0,0.0,
+O=C(c1cccs1)N1CCc2ccccc21,0,0.0,
+O=C(c1cccs1)N1CCn2c1nc1ccccc12,0,0.0,
+O=C(c1cccs1)c1ccc(-c2cccs2)s1,0,0.0,
+O=C(c1cccs1)c1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12,1,100.0,0.0
+O=C(c1cccs1)c1coc2ccc(O)c(CN3CCOCC3)c12,0,0.0,
+O=C(c1cccs1)c1no[n+]([O-])c1C(=O)c1cccs1,1,100.0,
+O=C(c1cccs1)n1cc(C(=S)N2CCOCC2)c2ccccc21,0,0.0,
+O=C(c1cccs1)n1nc(-c2ccccc2)nc1NCc1ccco1,0,0.0,
+O=C(c1ccncc1)C12CN3CN(CN(C3)C1)C2,0,0.0,
+O=C(c1ccncc1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1,0,0.0,
+O=C(c1ccncc1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+O=C(c1ccncc1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O,0,0.0,
+O=C(c1ccncc1)N1C2C=CC(C2)C1(C(F)(F)F)C(F)(F)F,0,0.0,
+O=C(c1ccncc1)N1CCN(C(=O)c2cccc3ccccc23)CC1,0,0.0,
+O=C(c1ccncc1)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C(c1ccncc1)N1CCN(C(=O)c2cccs2)CC1,0,0.0,
+O=C(c1ccncc1)N1CCN(C(=O)c2ccncc2)CC1,0,0.0,
+O=C(c1ccncc1)c1ccc(Br)cc1,0,0.0,
+O=C(c1ccncc1)c1ccc(N2CCN(C3CC(=O)N(Cc4ccccc4)C3=O)CC2)cc1,1,100.0,
+O=C(c1ccncc1)c1nccn1-c1ccccn1,0,0.0,
+O=C(c1ccsc1)N1CCN(C(=O)c2cccs2)CC1,0,0.0,
+O=C(c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1)N1CCOCC1,0,0.0,
+O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1,0,0.0,
+O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCCC1,0,0.0,
+O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCCCC1,0,0.0,
+O=C(c1cn(-c2ccccc2)nc1-c1ccncc1)n1nnc2ccccc21,0,0.0,
+O=C(c1cn(CC(=O)N2CCCC2)c2ccccc12)C1CCCCC1,0,0.0,
+O=C(c1cn(CC(=O)N2CCCCC2)c2ccccc12)C1CC1,0,0.0,
+O=C(c1cn[nH]c1)c1cc(F)ccc1O,0,0.0,
+O=C(c1cnc(N2CCN(c3ncccn3)CC2)c2ccccc12)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1cnc(N2CCN(c3ncccn3)CC2)c2ccccc12)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1cnc2ccccn2c1=O)N1CCCc2ccccc21,0,0.0,
+O=C(c1cnc2ccccn2c1=O)N1CCc2ccccc21,0,0.0,
+O=C(c1cnc2n(c1=O)CCS2)N(C1CCCCC1)C1CCCCC1,0,0.0,
+O=C(c1cnc2n(c1=O)CCS2)N(c1ccccc1)C1CCCCC1,0,0.0,
+O=C(c1cnc2n(c1=O)CCS2)N1CCCc2ccccc21,0,0.0,
+O=C(c1cnc2n(c1=O)CCS2)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,0,0.0,
+O=C(c1cnc2n(c1=O)CCS2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+O=C(c1cnc2n(c1=O)CCS2)N1CCc2ccccc21,0,0.0,
+O=C(c1cnc2sccn2c1=O)N(Cc1ccccc1)c1ccccn1,0,0.0,
+O=C(c1cnc2sccn2c1=O)N1CCCc2ccccc21,0,0.0,
+O=C(c1cnc2sccn2c1=O)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cncc(Br)c1)N1CCCc2ccccc21,0,0.0,
+O=C(c1cncc(Br)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0.0,
+O=C(c1cnccn1)N(c1ccccc1)C1(C(=O)NC2CCCC2)CCCCC1,0,0.0,
+O=C(c1cnccn1)N(c1ccccc1)C1(C(=O)NC2CCCCC2)CCCCC1,0,0.0,
+O=C(c1cnccn1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=C(c1cnccn1)N1CCc2ccccc21,0,0.0,
+O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCN(C2CCCCC2)CC1,0,0.0,
+O=C(c1cnn(-c2nc3ccccc3s2)c1)c1ccccc1O,0,0.0,
+O=C(c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12)N1CCOCC1,0,0.0,
+O=C(c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12)N1CCCC1,0,0.0,
+O=C(c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12)N1CCCCC1,0,0.0,
+O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N1CCCCCC1,0,0.0,
+O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N1CCCc2ccccc21,0,0.0,
+O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCN2CCCC2C1,0,0.0,
+O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCOCC1,0,0.0,
+O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCSCC1,0,0.0,
+O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCOCC1,0,0.0,
+O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCc2ccccc2C1,0,0.0,
+O=C(c1cnn2c1NC(c1ccc(Br)cc1)CC2C(F)(F)F)N1CCN2CCCC2C1,0,0.0,
+O=C(c1cnn2c1NC(c1ccco1)CC2C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=C(c1cnn2ccccc12)N(Cc1ccco1)C1CCCC1,1,100.0,1.0
+O=C(c1cnn2ccccc12)N1CCCc2ccccc21,0,0.0,
+O=C(c1cnn2ccccc12)N1CCc2ccccc21,0,0.0,
+O=C(c1cnn2cccnc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=C(c1cnn2cccnc12)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cnsn1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1cnsn1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1coc(=O)c(Br)c1)N1CCCc2ccccc21,0,0.0,
+O=C(c1coc(=O)c(Br)c1)N1CCOCC1,0,0.0,
+O=C(c1coc(=O)c2ccccc12)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(c1coc2ccc(O)c(CN3CCOCC3)c12)C1CC1,0,0.0,
+O=C(c1coc2ccc(O)cc12)C1CC1,0,0.0,
+O=C(c1coc2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,1,100.0,1.0
+O=C(c1csc(Nc2ccccc2Cl)n1)N1CCCC1,0,0.0,
+O=C(c1csc2c1CCCC2)N1CCCCC1,0,0.0,
+O=C(c1csc2c1CCCC2)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1csc2c1CCCC2)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1csc2c1CCCC2)n1cccn1,0,0.0,
+O=C(c1csc2c1CCCCC2)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1csc2c1CCCCC2)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1csc2ccccc12)N1CCCCCC1,0,0.0,
+O=C(c1csc2ccccc12)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1csc2ccccc12)n1cccn1,0,0.0,
+O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(C2c3ccccc3-c3ccccc32)CC1,0,0.0,
+O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2Cl)CC1,0,0.0,
+O=C(c1n[nH]c(=O)c2ccccc12)N1CCOCC1,0,0.0,
+O=C(c1n[nH]c2c1CCCC2)n1ccnc1,0,0.0,
+O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,0,0.0,
+O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCCCCC1,0,0.0,
+O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1,1,100.0,
+O=C(c1nc2ccccc2s1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1nc2ccccc2s1)N1CCSCC1,0,0.0,
+O=C(c1nc2n(n1)C(c1ccc(Cl)cc1)C=C(c1ccccc1)N2)N1CCOCC1,0,0.0,
+O=C(c1nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)N1CCOCC1,0,0.0,
+O=C(c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCCC1,0,0.0,
+O=C(c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCOCC1,0,0.0,
+O=C(c1nc2ncccn2n1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1nc2ncccn2n1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1nc2ncccn2n1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1ncc[nH]1)c1ccccc1C(=O)N1CCOCC1,0,0.0,
+O=C(c1ncc[nH]1)c1ccco1,0,0.0,
+O=C(c1ncn[nH]1)N1CCN(c2nc(-c3ccccc3)cs2)CC1,0,0.0,
+O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCC(c2nc3ccccc3o2)CC1,0,0.0,
+O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl)N1CCOCC1,0,0.0,
+O=C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl)N1CCOCC1,0,0.0,
+O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br)N1CCCc2ccccc21,0,0.0,
+O=C(c1nn2cccnc2c1Cl)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1nnc(-c2ccncc2)o1)c1ccccc1Cl,0,0.0,
+O=C(c1nnc(Cc2ccc(Cl)cc2)o1)N1CCOCC1,0,0.0,
+O=C(c1nnc(Cc2ccc(Cl)cc2)o1)N1CCc2ccccc2C1,0,0.0,
+O=C(c1noc2c1CCCC2)N1CCCCC1,0,0.0,
+O=C(c1noc2c1CCCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(c1noc2c1CCCC2)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C(c1noc2c1CCCC2)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=C(c1noc2c1CCCC2)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C(c1noc2c1CCCC2)N1CCOCC1,0,0.0,
+O=C(c1noc2c1CCCCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C(c1noc2c1CCCCC2)N1CCOCC1,0,0.0,
+O=C(c1noc2c1CCc1ccccc1-2)N1CCCc2ccccc21,0,0.0,
+O=C(c1noc2c1CCc1ccccc1-2)N1CCOCC1,0,0.0,
+O=C(c1nsc(Cl)c1Cl)N1CCCCC1,0,0.0,
+O=C(c1nsnc1-c1ccccc1O)N1CCCCC1,0,0.0,
+O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCC(O)CC1,0,0.0,
+O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCN(C2CCCCC2)CC1,1,100.0,1.0
+O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCOCC1,0,0.0,
+O=C(c1oc2ccccc2c1CSCc1ccccc1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=C(c1oc2ccccc2c1N1CCCCC1)N1CCCCC1,0,0.0,
+O=C(c1sc2ccccc2c1Cl)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1sc2ccccc2c1Cl)N(Cc1cccs1)C1CCS(=O)(=O)C1,0,0.0,
+O=C(c1sc2ccccc2c1Cl)N1CCC2(CC1)OCCO2,0,0.0,
+O=C(c1scc2c1CCCC2)N1CCCCC1,0,0.0,
+O=C(c1scc2c1CCCC2)N1CCOCC1,0,0.0,
+O=C(c1sccc1-n1cccc1)N1CCCC1,0,0.0,
+O=C1/C(=C/Nc2ccc3c(c2)OCO3)CCc2ccccc21,0,0.0,
+O=C1/C(=N/n2cnnc2)c2ccccc2N1Cc1ccccc1,0,0.0,
+O=C1C(=C(O)c2ccccc2)C(=O)c2ccccc21,0,0.0,
+O=C1C(=C2CCCCC2)SC(=S)N1Cc1ccco1,1,100.0,1.0
+O=C1C(=O)N(CCCN2CCOCC2)C(c2ccccn2)/C1=C(\O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C1C(=O)N(CCCN2CCOCC2)C(c2cccs2)/C1=C(/O)c1ccc2c(c1)OCO2,0,0.0,
+O=C1C(=O)N(CCCn2ccnc2)C(c2ccccn2)/C1=C(/O)c1ccccc1,0,0.0,
+O=C1C(=O)N(CCCn2ccnc2)C(c2cccnc2)/C1=C(/O)c1ccc(Br)cc1,0,0.0,
+O=C1C(=O)N(CCCn2ccnc2)C(c2cccnc2)/C1=C(/O)c1ccc(F)cc1,0,0.0,
+O=C1C(=O)N(CCCn2ccnc2)C(c2cccnc2)/C1=C(/O)c1ccccc1,0,0.0,
+O=C1C(=O)N(CCN2CCOCC2)C(c2ccccn2)/C1=C(/O)c1ccc(Cl)cc1,0,0.0,
+O=C1C(=O)N(CCN2CCOCC2)C(c2ccccn2)/C1=C(/O)c1ccc(F)cc1,0,0.0,
+O=C1C(=O)N(CCN2CCOCC2)C(c2ccccn2)/C1=C(/O)c1ccccc1,0,0.0,
+O=C1C(=O)N(CCN2CCOCC2)C(c2ccncc2)/C1=C(/O)c1ccc2c(c1)OCO2,0,0.0,
+O=C1C(=O)N(CCO)C(c2cccc(F)c2)/C1=C(\O)c1ccc(Cl)cc1,0,0.0,
+O=C1C(=O)N(CCO)C(c2ccccc2)/C1=C(\O)c1ccccc1,0,0.0,
+O=C1C(=O)N(CCOCCO)C(c2ccccn2)/C1=C(\O)c1ccccc1,0,0.0,
+O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccc(Br)cc1,0,0.0,
+O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccc(F)cc1,0,0.0,
+O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccccc1,0,0.0,
+O=C1C(=O)N(Cc2ccco2)C(c2cccc(Cl)c2)/C1=C(\O)c1ccc2c(c1)OCCO2,0,0.0,
+O=C1C(C2=C(O)c3ccccc3C2=O)=Nc2ccccc21,0,0.0,
+O=C1C(C=NCC2CCCO2)=C(O)c2ccccc21,0,0.0,
+O=C1C(C=NCCCN2CCCC2=O)=C(O)c2ccccc21,0,0.0,
+O=C1C(C=NCCCN2CCOCC2)=C(O)c2ccccc21,0,0.0,
+O=C1C(C=NCCCn2ccnc2)=C(O)c2ccccc21,0,0.0,
+O=C1C(C=NCCN2CCOCC2)=C(O)c2ccccc21,0,0.0,
+O=C1C(C=NCc2ccccn2)=C(O)c2ccccc21,0,0.0,
+O=C1C(C=NCc2cccnc2)=C(O)c2ccccc21,0,0.0,
+O=C1C(C=NCc2ccco2)=C(O)c2ccccc21,0,0.0,
+O=C1C(C=Nc2ccccc2O)=C(O)c2ccccc21,0,0.0,
+O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1,0,0.0,
+O=C1C(Cl)=C(N2CCCCC2)C(=O)N1c1ccccc1,0,0.0,
+O=C1C(Cl)=C(N2CCCCC2)C(=O)N1c1ccccc1Cl,0,0.0,
+O=C1C(Cl)=C(N2CCCCCC2)C(=O)N1c1ccccc1,1,100.0,1.0
+O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1,0,0.0,
+O=C1C(Cl)=C(N2CCOCC2)C(=O)N1CCc1ccccc1,0,0.0,
+O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cccc(Cl)c1,0,0.0,
+O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1Cl,0,0.0,
+O=C1C(Cl)=C(NCC2CCCO2)C(=O)N1C1CCCCC1,0,0.0,
+O=C1C(Cl)=C(NCC2CCCO2)C(=O)N1CCc1ccccc1,0,0.0,
+O=C1C(Cl)=C(NCC2CCCO2)C(=O)N1Cc1ccccc1,0,0.0,
+O=C1C(Cl)=C(NCC2CCCO2)C(=O)N1c1ccccc1,0,0.0,
+O=C1C(Cl)=C(NCCCN2CCOCC2)C(=O)N1CCc1ccccc1,0,0.0,
+O=C1C(Cl)=C(Nc2ccccc2O)C(=O)N1c1ccccc1,0,0.0,
+O=C1C(O)CC2c3ccccc3CC3(CCCC3)N12,0,0.0,
+O=C1C(SC(F)(F)C(F)F)=C(C(F)(F)F)OC2C3C=CC(C3)C12,0,0.0,
+O=C1C(c2ccc(F)cc2)N(C2CCCCC2)C(=O)CN1C1CCCC1,0,0.0,
+O=C1C(c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C(=O)CN1C1CCCC1,0,0.0,
+O=C1C(c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C(=O)CN1C1CCCCC1,0,0.0,
+O=C1C(c2ccncc2)=C(O)c2ccccc21,0,0.0,
+O=C1C(c2ccncc2)N(CCC2=CCCCC2)C(=O)CN1C1CCCCC1,0,0.0,
+O=C1C/C(=C/NCc2ccccc2)C(=O)N1,0,0.0,
+O=C1C2(c3ccccc3)CN(CCCO)CC1(c1ccccc1)CN(CCCO)C2,0,0.0,
+O=C1C2=C(Nc3ccccc3SC2c2ccco2)c2ccccc21,0,0.0,
+O=C1C2=C(SCCS2)C(=O)N1CCCO,0,0.0,
+O=C1C2=C(SCCS2)C(=O)N1c1ccccc1,0,0.0,
+O=C1C2=C(c3ccccc31)[N+](=O)[C@@H]1CCCC[C@@H]1N2[O-],0,0.0,
+O=C1C2C(C(=O)N1CC1CCCO1)C1C=CC2C12CC2,0,0.0,
+O=C1C2C(C(=O)N1Cc1cccnc1)C1C=CC2C12CC2,0,0.0,
+O=C1C2C(C(=O)N1Cc1ccco1)C1C=CC2C12CC2,0,0.0,
+O=C1C2C(C(=O)N1c1ccc3c(c1)OCO3)C1C=CC2C12CC2,0,0.0,
+O=C1C2C(C(=O)N1c1ccncc1)C1C=CC2C12CC2,0,0.0,
+O=C1C2C(c3ccccc3)C=CC(c3ccccc3)C2C(=O)N1CCO,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1CC1CCCO1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1CCCCN1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1CCCO,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1CCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1CN(Cc1ccccc1)CN1C(=O)C2C3C=CC(C3)C2C1=O,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1CNc1ccc(O)cc1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1CNc1ccccc1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1Cc1ccccc1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1Cc1cccnc1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2c(c1)CCC2,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2c(c1)OCO2,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1c1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)n1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1c1cccc2cccnc12,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1c1ccccc1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1c1ccncc1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1c1n[nH]c(-c2cccnc2)n1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1c1n[nH]c(CCc2ccccc2)n1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1c1nccs1,0,0.0,
+O=C1C2C3C=CC(C3)C2C(=O)N1c1ncn[nH]1,0,0.0,
+O=C1C2C3C=CC(C3=C3CCCCC3)C2C(=O)N1Cc1ccccc1,0,0.0,
+O=C1C2C3C=CC(C3=C3CCCCC3)C2C(=O)N1c1ccccc1,0,0.0,
+O=C1C2C3C=CC(CO)(O3)C2C(=O)N1c1ccc(-c2ccccc2)cc1,0,0.0,
+O=C1C2C3C=CC(CO)(O3)C2C(=O)N1c1ccccc1-c1ccccc1,0,0.0,
+O=C1C2C3C=CC([C@@H]2C(=O)N1c1nccs1)C31CC1,0,0.0,
+O=C1C2C3CCCC3=C3CCCC3C2C(=O)N1c1ccc(Cl)cc1,0,0.0,
+O=C1C2C3CCCC3=C3CCCC3C2C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1C2C3CCCC3=C3CCCC3C2C(=O)N1c1cccc(Cl)c1,0,0.0,
+O=C1C2C3CCCC3=C3CCCC3C2C(=O)N1c1ccccc1,1,100.0,1.0
+O=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1CN1CCOCC1,0,0.0,
+O=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1Cc1ccco1,0,0.0,
+O=C1C2CC=C(Cl)CC2C(=O)N1CC1Cc2ccccc2CO1,0,0.0,
+O=C1C2CC=C(Cl)CC2C(=O)N1CCc1c[nH]c2ccccc12,0,0.0,
+O=C1C2CC=C(Cl)CC2C(=O)N1CCc1ccccc1,0,0.0,
+O=C1C2CC=C(Cl)CC2C(=O)N1CN(Cc1ccco1)CN1C(=O)C2CC=C(Cl)CC2C1=O,0,0.0,
+O=C1C2CC=C(Cl)CC2C(=O)N1CNc1ccccn1,0,0.0,
+O=C1C2CC=C(Cl)CC2C(=O)N1c1ncn[nH]1,0,0.0,
+O=C1C2CC=CCC2C(=O)N1CC(=O)N(Cc1ccccc1)C1CCS(=O)(=O)C1,0,0.0,
+O=C1C2CC=CCC2C(=O)N1CC1CCCO1,0,0.0,
+O=C1C2CC=CCC2C(=O)N1c1ccc(Cc2ccncc2)cc1,0,0.0,
+O=C1C2CC=CCC2C(=O)N1c1ccc(OCC(O)Cn2nnc3ccccc32)cc1,0,0.0,
+O=C1C2CC=CCC2C(=O)N1c1n[nH]c(Cc2ccccc2)n1,0,0.0,
+O=C1C2CC=CCC2C(=O)N1c1nc2n(n1)C(c1ccccc1)CC(c1ccccc1)N2,0,0.0,
+O=C1C2CCC(C(O)C2)N1Cc1ccccc1,0,0.0,
+O=C1C2CCCN2C(c2ccc(Br)cc2)N1c1ccc(F)cc1,0,0.0,
+O=C1C2CCCN2C(c2ccc(Cl)c(Cl)c2)N1c1ccccn1,0,0.0,
+O=C1C2CCCN2C(c2ccc(Cl)cc2)N1c1ccccn1,0,0.0,
+O=C1C2CCCN2C(c2ccc(Cl)cc2)N1c1nccs1,0,0.0,
+O=C1C2CCCN2C(c2ccc(F)c(F)c2)N1c1cccc(Cl)c1,0,0.0,
+O=C1C2CCCN2C(c2ccc(F)cc2)N1c1ccc(Cl)cc1,0,0.0,
+O=C1C2CCCN2C(c2ccc(F)cc2)N1c1cccc(Cl)c1,0,0.0,
+O=C1C2CCCN2C(c2ccc(F)cc2)N1c1nccs1,0,0.0,
+O=C1C2CCCN2C(c2cccc(Br)c2)N1c1ccc(F)cc1,0,0.0,
+O=C1C2CCCN2C(c2cccc(Cl)c2)N1c1ccccn1,0,0.0,
+O=C1C2CCCN2C(c2cccc(F)c2)N1c1cccc(Cl)c1,0,0.0,
+O=C1C2CCCN2C(c2ccccc2)N1c1ccc(Cl)cc1,0,0.0,
+O=C1C2CCCN2C(c2ccccc2)N1c1ccc(F)cc1,0,0.0,
+O=C1C2CCCN2C(c2ccccc2)N1c1cccc(Cl)c1,0,0.0,
+O=C1C2CCCN2C(c2ccccc2)N1c1ccccn1,0,0.0,
+O=C1C2CCCN2C(c2ccccc2)N1c1nccs1,0,0.0,
+O=C1C2CCCN2C(c2ccccc2F)N1c1ccc(Cl)cc1,0,0.0,
+O=C1C2CCCN2C(c2ccccc2F)N1c1ccc(F)cc1,0,0.0,
+O=C1C2CCCN2C(c2ccccc2F)N1c1cccc(Cl)c1,0,0.0,
+O=C1C2CCCN2C(c2cccnc2)N1c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C1C2CCCN2C(c2cccnc2)N1c1ccc(Cl)cc1,0,0.0,
+O=C1C2CCCN2C(c2cccnc2)N1c1cccc(Cl)c1,0,0.0,
+O=C1C2CCCN2C(c2cccnc2)N1c1nccs1,0,0.0,
+O=C1C2CCCN2C(c2cccs2)N1c1ccc(Cl)cc1,0,0.0,
+O=C1C2CCCN2C(c2cccs2)N1c1ccccn1,0,0.0,
+O=C1C2CCCN2C(c2ccncc2)N1c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C1C2CCN(CC2)C1Cc1ccc(OCCOc2ccccc2)cc1,0,0.0,
+O=C1C2CCN(CC2)[C@@H]1Cc1ccc2ccccc2c1O,1,100.0,1.0
+O=C1C2ON(c3ccc(Br)cc3)C(c3cccnc3)C2C(=O)N1C1CCCCC1,0,0.0,
+O=C1C2ON(c3ccc(Cl)cc3)C(c3ccco3)C2C(=O)N1c1ccccc1,0,0.0,
+O=C1C2ON(c3ccccc3)C(c3ccccc3F)C2C(=O)N1c1ccccc1,0,0.0,
+O=C1C2ON(c3ccccc3)C(c3ccccn3)C2C(=O)N1c1ccc(Br)cc1,0,0.0,
+O=C1C2ON(c3ccccc3)C(c3cccnc3)C2C(=O)N1Cc1ccccc1,0,0.0,
+O=C1C2ON(c3ccccc3)C(c3cccnc3)C2C(=O)N1c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C1C2ON(c3ccccc3)C(c3cccnc3)C2C(=O)N1c1ccccc1,0,0.0,
+O=C1C2ON(c3ccccc3)C(c3ccncc3)C2C(=O)N1c1ccc(Br)cc1,0,0.0,
+O=C1C2ON(c3ccccc3)C(c3ccncc3)C2C(=O)N1c1ccc(N2CCOCC2)cc1,0,0.0,
+O=C1C2ON(c3ccccc3)C(c3ccncc3)C2C(=O)N1c1ccccc1,0,0.0,
+O=C1C=C(N(CCO)CCO)C2(CCCCC2)O1,0,0.0,
+O=C1C=C(N2CCN(C(=O)c3ccccc3)CC2)C2(CCCCC2)O1,0,0.0,
+O=C1C=C(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C2(CCCCC2)O1,1,100.0,1.0
+O=C1C=C(N2CCN(C3=CC(=O)CCC3)CC2)CCC1,0,0.0,
+O=C1C=C(N2CCOCC2)CC(c2ccccc2)C1,0,0.0,
+O=C1C=C(NC2CC2)C2(CCCCC2)O1,0,0.0,
+O=C1C=C(NCC2CCCO2)CC(c2ccccc2)C1,0,0.0,
+O=C1C=C(NCCNc2c(F)c(F)c(CO)c(F)c2F)CCC1,0,0.0,
+O=C1C=C(NCc2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+O=C1C=C(NCc2ccc(Cl)cc2)CC(c2ccco2)C1,0,0.0,
+O=C1C=C(NCc2ccccc2)C2(CCCCC2)O1,0,0.0,
+O=C1C=C(NCc2ccco2)C2(CCCCC2)O1,0,0.0,
+O=C1C=C(NCc2ccco2)CC(c2ccc(Cl)cc2)C1,0,0.0,
+O=C1C=C(NCc2ccco2)CCC1,0,0.0,
+O=C1C=C(NCc2ccncc2)CC(c2ccccc2)C1,0,0.0,
+O=C1C=C(O)CC(c2ccc(Cl)c(Cl)c2)C1,0,0.0,
+O=C1C=C(O)CC(c2ccc(Cl)cc2)C1,0,0.0,
+O=C1C=C(O)CC(c2ccco2)C1,0,0.0,
+O=C1C=C(O)CC(c2cccs2)C1,0,0.0,
+O=C1C=C(OCc2ccccc2)CN1,0,0.0,
+O=C1C=C(c2ccccc2)C(O)(c2ccccc2)C1,0,0.0,
+O=C1C=C(c2ccccc2)OC2(CCCC2)O1,0,0.0,
+O=C1CC(/C=C/c2ccco2)=Nc2ccccc2N1,0,0.0,
+O=C1CC(=O)CC(c2ccco2)C1,0,0.0,
+O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1,0,0.0,
+O=C1CC(=O)N(Cc2ccco2)C(=O)N1,0,0.0,
+O=C1CC(=O)N(Cc2cccs2)C(=O)N1,0,0.0,
+O=C1CC(=O)N(c2ccc(Cl)cc2Cl)C(=O)N1,0,0.0,
+O=C1CC(=O)N(c2ccc3c(c2)OCO3)C(=O)N1,0,0.0,
+O=C1CC(=O)N(c2cccc(Cl)c2)C(=O)N1,0,0.0,
+O=C1CC(=O)N(c2ccccc2)c2ccccc21,0,0.0,
+O=C1CC(C(=O)N(c2ccc(F)cc2)C(C(=O)NC2CCCC2)c2ccccn2)CS1,0,0.0,
+O=C1CC(C(=O)N(c2cccc(F)c2)C(C(=O)NC2CCCC2)c2ccccn2)CS1,0,0.0,
+O=C1CC(C(=O)N2CCC3(CC2)OCCO3)CN1CCc1ccccc1,0,0.0,
+O=C1CC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CN1CCc1ccccc1,0,0.0,
+O=C1CC(C(=O)N2CCOCC2)C2(CCCC2)O1,0,0.0,
+O=C1CC(C(=O)NC2CCCCC2)C(c2ccccc2)O1,0,0.0,
+O=C1CC(C(=O)NCc2ccccc2)C2(CCCC2)O1,0,0.0,
+O=C1CC(C(=O)NCc2ccccc2)N=C(N2CCCCC2)N1,0,0.0,
+O=C1CC(C(=O)Nc2ccc(Br)cc2)C2(CCCC2)O1,0,0.0,
+O=C1CC(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C2(CCCCC2)O1,0,0.0,
+O=C1CC(C(=O)Nc2ccc(O)c(C(=O)O)c2)C(c2ccccc2)O1,0,0.0,
+O=C1CC(C(=O)Nc2ccccc2)C2(CCCC2)O1,0,0.0,
+O=C1CC(C(=O)Nc2ccccc2)N=C(N2CCCCC2)N1,0,0.0,
+O=C1CC(C(=O)Nc2ccccc2C(=O)O)C(c2ccccc2)O1,0,0.0,
+O=C1CC(C(=O)Nc2ncccn2)C(c2ccccc2)O1,0,0.0,
+O=C1CC(C(=O)Nc2nccs2)C(c2ccccc2)O1,0,0.0,
+O=C1CC(C(=O)O)c2ccccc2N1,0,0.0,
+O=C1CC(C(F)(F)C(F)(F)C(F)(F)C(F)F)=Nc2ccccc2N1,0,0.0,
+O=C1CC(C2CCCO2)C(=O)N1Cc1ccccc1,0,0.0,
+O=C1CC(C2CCCO2)C(=O)N1c1cccc(Cl)c1,0,0.0,
+O=C1CC(CCC(=O)NC2CC2)c2ccccc2N1,0,0.0,
+O=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1ccccn1,0,0.0,
+O=C1CC(Cc2ccccc2)C(=O)N1CCCn1ccnc1,1,100.0,0.0
+O=C1CC(Cc2ccccc2)C(=O)N1CCc1ccc2c(c1)OCO2,0,0.0,
+O=C1CC(Cc2ccccc2)C(=O)N1Cc1ccco1,0,0.0,
+O=C1CC(Cc2ccccc2)C(=O)N1c1ccc(Cl)cn1,0,0.0,
+O=C1CC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccc(F)cc2)C(=O)N1c1ccccc1,0,0.0,
+O=C1CC(N(Cc2ccco2)C(=O)Nc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1CC(N(O)C2CC(=O)N(Cc3ccccc3)C2=O)C(=O)N1Cc1ccccc1,0,0.0,
+O=C1CC(N(O)c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1,0,0.0,
+O=C1CC(N2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1CC(N2CCC(C(=O)N3CCCCC3)CC2)C(=O)N1,0,0.0,
+O=C1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)N1,0,0.0,
+O=C1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C1CC(N2CCC(O)CC2)C(=O)N1c1ccc(Br)cc1,0,0.0,
+O=C1CC(N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1Cc1cccs1,0,0.0,
+O=C1CC(N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1,0,0.0,
+O=C1CC(N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(Cl)cc1,0,0.0,
+O=C1CC(N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1,1,100.0,0.0
+O=C1CC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)N1Cc1ccccc1,0,0.0,
+O=C1CC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1CC(N2CCCCCC2)C(=O)N1c1ccc2c(c1)OCO2,0,0.0,
+O=C1CC(N2CCCN(C3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1CC(N2CCCc3ccccc32)C(=O)N1c1ccccc1,0,0.0,
+O=C1CC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1,0,0.0,
+O=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1CCc1ccccc1,1,100.0,1.0
+O=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1Cc1cccs1,1,100.0,1.0
+O=C1CC(N2CCN(C3CC(=O)N(CCc4ccccc4)C3=O)CC2)C(=O)N1CCc1ccccc1,0,0.0,
+O=C1CC(N2CCN(C3CCc4ccccc4C3)CC2)C(=O)N1c1ccccc1,0,0.0,
+O=C1CC(N2CCN(CCc3ccccn3)CC2)C(=O)N1c1ccc(Cl)cc1,0,0.0,
+O=C1CC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1CCc1ccccc1,1,100.0,0.0
+O=C1CC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C1CC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1,0,0.0,
+O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1,0,0.0,
+O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1,0,0.0,
+O=C1CC(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)N1Cc1ccccc1,0,0.0,
+O=C1CC(N2CCN(c3ccc(C(=O)c4ccc(F)cc4)cc3)CC2)C(=O)N1,0,0.0,
+O=C1CC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1,0,0.0,
+O=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1cccs1,0,0.0,
+O=C1CC(N2CCN(c3ccc(O)cc3)CC2)C(=O)N1Cc1cccs1,0,0.0,
+O=C1CC(N2CCN(c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1CC(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)C(=O)N1Cc1ccccc1,1,100.0,1.0
+O=C1CC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1CC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccccc1,0,0.0,
+O=C1CC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccccc1F,0,0.0,
+O=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1CCc1ccccc1,0,0.0,
+O=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc2c(c1)OCCO2,0,0.0,
+O=C1CC(N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1CC(N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1cccc(F)c1,1,100.0,0.0
+O=C1CC(N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccccc1,0,0.0,
+O=C1CC(N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccc2c(c1)OCCO2,0,0.0,
+O=C1CC(N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1Cc1cccs1,0,0.0,
+O=C1CC(N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1CC(N2CCOCC2)C(=O)N1CCN1C(=O)CC(N2CCOCC2)C1=O,0,0.0,
+O=C1CC(N2CCOCC2)C(=O)N1CCc1ccccc1,0,0.0,
+O=C1CC(N2CCOCC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C1CC(N2CCOCC2)C(=O)N1c1cc(Cl)cc(Cl)c1,0,0.0,
+O=C1CC(N2CCOCC2)C(=O)N1c1ccc2c(c1)OCO2,0,0.0,
+O=C1CC(N2CCOCC2)C(=O)N1c1cccc(Cl)c1,0,0.0,
+O=C1CC(N2CCOCC2)C(=O)N1c1ccccc1Cl,0,0.0,
+O=C1CC(N2CCSCC2)C(=O)N1CCc1ccccc1,0,0.0,
+O=C1CC(NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc2c(c1)OCO2,0,0.0,
+O=C1CC(NCCN2CCOCC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1,0,0.0,
+O=C1CC(NCc2ccc3c(c2)OCO3)C(=O)N1Cc1ccc2c(c1)OCO2,0,0.0,
+O=C1CC(NCc2ccccc2F)C(=O)N1c1ccccc1,0,0.0,
+O=C1CC(NCc2ccco2)C(=O)N1CCc1ccccc1,0,0.0,
+O=C1CC(NCc2ccncc2)C(=O)N1c1ccc(Cl)cc1,0,0.0,
+O=C1CC(NCc2ccncc2)C(=O)N1c1ccccc1,0,0.0,
+O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1C1CCCCC1,0,0.0,
+O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1,0,0.0,
+O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1cccc(C(F)(F)F)c1,0,0.0,
+O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1F,0,0.0,
+O=C1CC(Nc2ccccc2)C(=O)N1c1ccc(N2CCOCC2)cc1,0,0.0,
+O=C1CC(O)(C(F)(F)F)Oc2c1ccc1ccccc21,0,0.0,
+O=C1CC(O)(C(F)F)Oc2ccc3ccccc3c21,1,100.0,0.0
+O=C1CC(SC(=NCc2ccc3c(c2)OCO3)Nc2ccccc2)C(=O)N1,0,0.0,
+O=C1CC(SCCO)C(=O)N1c1ccc(Oc2ccccc2)cc1,1,100.0,0.0
+O=C1CC(SCc2nc3ccccc3[nH]2)C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1CC(SCc2nc3ccccc3[nH]2)C(=O)N1c1cccc(F)c1,0,0.0,
+O=C1CC(Sc2ncccn2)C(=O)N1c1ccccc1C(F)(F)F,0,0.0,
+O=C1CC(Sc2nnc(-c3ccccc3)o2)C(=O)N1c1ccccc1,0,0.0,
+O=C1CC(Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1ccccc1,0,0.0,
+O=C1CC(Sc2nnnn2C2CCCCC2)C(=O)N1c1ccccc1,0,0.0,
+O=C1CC(c2c[nH]c3ccccc23)C(=O)N1,0,0.0,
+O=C1CC(c2cc3c(cc2Br)OCO3)C2=C(CCCC2=O)N1,0,0.0,
+O=C1CC(c2ccc(Cl)c(Cl)c2)CC(O)=C1C=NCCN1CCNCC1,1,100.0,1.0
+O=C1CC(c2ccc(Cl)cc2)CC(O)=C1C=NCCN1CCNCC1,1,100.0,1.0
+O=C1CC(c2ccc(Cl)cc2)n2nc(N3C(=O)CCC3=O)nc2N1,0,0.0,
+O=C1CC(c2ccc(Cl)cc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1,0,0.0,
+O=C1CC(c2ccc(F)c(Br)c2)C2=C(CCCC2=O)N1,0,0.0,
+O=C1CC(c2ccc(F)cc2)C2=C(CCCC2=O)N1,0,0.0,
+O=C1CC(c2ccc(F)cc2)CC(O)=C1C=NCCN1CCN(C(=O)Nc2ccccc2)CC1,0,0.0,
+O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21,0,0.0,
+O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCOCC3)ncc21,0,0.0,
+O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCc4ccccc43)ncc21,0,0.0,
+O=C1CC(c2ccc(F)cc2)Cc2nc(NCc3ccco3)ncc21,0,0.0,
+O=C1CC(c2ccc(F)cc2)Sc2ccccc2N1,0,0.0,
+O=C1CC(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CN1,0,0.0,
+O=C1CC(c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)CN1,0,0.0,
+O=C1CC(c2ccc(S(=O)(=O)NC3CC3)cc2)CN1,0,0.0,
+O=C1CC(c2ccc(S(=O)(=O)NCCOc3ccccc3)cc2)CN1,0,0.0,
+O=C1CC(c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CN1,0,0.0,
+O=C1CC(c2ccc(S(=O)(=O)NCc3ccncc3)cc2)CN1,0,0.0,
+O=C1CC(c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1,0,0.0,
+O=C1CC(c2ccc3c(c2)OCO3)CN1,0,0.0,
+O=C1CC(c2ccc3c(c2)OCO3)Sc2nc3ccccc3n21,0,0.0,
+O=C1CC(c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCCO3,0,0.0,
+O=C1CC(c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCO3,0,0.0,
+O=C1CC(c2cccc(Br)c2)C2=C(CCCC2=O)N1,0,0.0,
+O=C1CC(c2cccc(Cl)c2)CC(O)=C1C=NCCCO,0,0.0,
+O=C1CC(c2cccc(Cl)c2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21,0,0.0,
+O=C1CC(c2cccc(Cl)c2)Cc2nc(N3CCOCC3)ncc21,0,0.0,
+O=C1CC(c2cccc(F)c2)C2=C(CCCC2=O)N1,0,0.0,
+O=C1CC(c2cccc(Oc3ccccc3)c2)NC(=O)N1,0,0.0,
+O=C1CC(c2ccccc2)C(=O)N1c1cccc(O)c1,0,0.0,
+O=C1CC(c2ccccc2)C(C(=O)Nc2ccccc2F)N1,0,0.0,
+O=C1CC(c2ccccc2)C(C(=O)O)N1,0,0.0,
+O=C1CC(c2ccccc2)CC(O)=C1C=NCC1CCCO1,0,0.0,
+O=C1CC(c2ccccc2)CC(O)=C1C=NCCCN1CCOCC1,0,0.0,
+O=C1CC(c2ccccc2)CC(O)=C1C=NCCCO,0,0.0,
+O=C1CC(c2ccccc2)CC(O)=C1C=NCCN1CCN(C(=O)Cc2ccccc2)CC1,0,0.0,
+O=C1CC(c2ccccc2)CC(O)=C1C=NCCN1CCN(C(=O)Nc2ccccc2)CC1,0,0.0,
+O=C1CC(c2ccccc2)CC(O)=C1C=NCCN1CCNCC1,0,0.0,
+O=C1CC(c2ccccc2)CC(O)=C1C=NCCN1CCOCC1,0,0.0,
+O=C1CC(c2ccccc2)CC(O)=C1C=NCc1ccco1,0,0.0,
+O=C1CC(c2ccccc2)CC2=C1CN(C1CCCCC1)CN2,0,0.0,
+O=C1CC(c2ccccc2)CN1C(=O)c1ccccc1,0,0.0,
+O=C1CC(c2ccccc2)CN1Cc1ccccc1,0,0.0,
+O=C1CC(c2ccccc2)CN1S(=O)(=O)c1ccccc1,0,0.0,
+O=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc43)ncc21,0,0.0,
+O=C1CC(c2ccccc2)Cc2nc(NCc3ccco3)ncc21,0,0.0,
+O=C1CC(c2ccccc2)NC(=O)N1,0,0.0,
+O=C1CC(c2ccccc2)Sc2ccccc2N1,0,0.0,
+O=C1CC(c2ccccc2)c2cc(O)ccc2O1,0,0.0,
+O=C1CC(c2ccccc2)n2nc(N3C(=O)CCC3=O)nc2N1,0,0.0,
+O=C1CC(c2ccccc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1,0,0.0,
+O=C1CC(c2ccccc2)n2nc(NC(=O)C3CCCO3)nc2N1,0,0.0,
+O=C1CC(c2ccccc2)n2nc(NC(=O)c3ccccn3)nc2N1,0,0.0,
+O=C1CC(c2ccccc2)n2nc(NC(=O)c3cccnc3)nc2N1,0,0.0,
+O=C1CC(c2ccccc2)n2nc(NC(=O)c3cccs3)nc2N1,0,0.0,
+O=C1CC(c2ccccc2)n2nc(NS(=O)(=O)c3ccccc3)nc2N1,0,0.0,
+O=C1CC(c2ccccc2)n2ncnc2N1,0,0.0,
+O=C1CC(c2cccnc2)c2cc3c(cc2N1)OCCO3,0,0.0,
+O=C1CC(c2cccnc2)c2cc3c(cc2N1)OCO3,0,0.0,
+O=C1CC(c2ccco2)=Nc2ccccc2N1,0,0.0,
+O=C1CC(c2ccco2)CC(O)=C1C=NCC1CCNCC1,1,100.0,1.0
+O=C1CC(c2ccco2)CC(O)=C1C=NCC1NCCc2ccccc21,0,0.0,
+O=C1CC(c2ccco2)CC(O)=C1C=NCCN1CCN(C2CC(=O)N(c3ccccc3)C2=O)CC1,0,0.0,
+O=C1CC(c2ccco2)CC(O)=C1C=NCCN1CCNCC1,0,0.0,
+O=C1CC(c2ccco2)CC(O)=C1C=NCCO,0,0.0,
+O=C1CC(c2ccco2)CC(O)=C1C=Nc1cc(Cl)ccc1O,0,0.0,
+O=C1CC(c2ccco2)CC2=C1C(c1ccccc1)n1nc(C(F)(F)F)nc1N2,0,0.0,
+O=C1CC(c2ccco2)CC2=C1C1c3ccccc3C(=O)N1c1ccccc1N2,0,0.0,
+O=C1CC(c2ccco2)CC2=C1C=Nc1ccccc1N2,0,0.0,
+O=C1CC(c2ccco2)Cc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncc21,1,100.0,1.0
+O=C1CC(c2ccco2)Cc2nc(N3CCc4ccccc4C3)ncc21,0,0.0,
+O=C1CC(c2ccco2)Cc2nc(NCC3CCCO3)ncc21,0,0.0,
+O=C1CC(c2ccco2)Cc2nc(Nc3ccc(F)cc3)ncc21,0,0.0,
+O=C1CC(c2ccco2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21,0,0.0,
+O=C1CC(c2ccco2)Sc2nc3ccccc3n21,0,0.0,
+O=C1CC(c2ccco2)c2ccc3ccccc3c2N1,0,0.0,
+O=C1CC(c2cccs2)CC(O)=C1C=NCCN1CCNCC1,0,0.0,
+O=C1CC(c2cccs2)CC2=C1C(c1ccccc1)n1ncnc1N2,0,0.0,
+O=C1CC(c2cccs2)Cc2nc(NCC3CCCO3)ncc21,0,0.0,
+O=C1CC(c2cccs2)Sc2nc3ccccc3n21,0,0.0,
+O=C1CC(c2cccs2)c2cc3c(cc2N1)OCCO3,0,0.0,
+O=C1CC(c2cccs2)c2cc3c(cc2N1)OCO3,0,0.0,
+O=C1CC(c2ccncc2)c2cc3c(cc2N1)OCCO3,0,0.0,
+O=C1CC(c2ccncc2)c2cc3c(cc2N1)OCO3,0,0.0,
+O=C1CC(c2ccsc2)c2cc3c(cc2N1)OCCO3,0,0.0,
+O=C1CC(c2nc3ccccc3[nH]2)CN1Cc1ccccc1,0,0.0,
+O=C1CC(c2nc3ccccc3[nH]2)CN1c1cccc(C(F)(F)F)c1,0,0.0,
+O=C1CC(c2nc3ccccc3[nH]2)CN1c1ccccc1,0,0.0,
+O=C1CC(c2nc3ccccc3[nH]2)CN1c1ccccc1F,0,0.0,
+O=C1CC2(CCCCC2)Oc2ccc(O)cc21,0,0.0,
+O=C1CC2(CCCCC2)Oc2ccc(OCC(=O)N3CCOCC3)cc21,0,0.0,
+O=C1CC2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1CC2CS(=O)(=O)CC2N1C1CCCCC1,0,0.0,
+O=C1CC2CS(=O)(=O)CC2N1c1ccc(Cl)cc1Cl,0,0.0,
+O=C1CC2CS(=O)(=O)CC2N1c1ccc(Oc2ccccc2)cc1,0,0.0,
+O=C1CCC(=O)N1CC(=O)N1c2ccccc2Sc2ccccc21,0,0.0,
+O=C1CCC(=O)N1CCC(c1ccc(F)cc1)c1ccco1,0,0.0,
+O=C1CCC(=O)N1CCCCCc1nc(-c2ccccc2)no1,0,0.0,
+O=C1CCC(=O)N1CCOP1(=O)COc2ccccc2OC1,0,0.0,
+O=C1CCC(=O)N1CN(C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C1CCC(=O)N1CN(C(=O)c1ccco1)c1ccccc1,0,0.0,
+O=C1CCC(=O)N1CN(Cc1ccco1)CN1C(=O)CCC1=O,0,0.0,
+O=C1CCC(=O)N1CNc1ccc(Oc2ccccc2)cc1,0,0.0,
+O=C1CCC(=O)N1CNc1ccccn1,0,0.0,
+O=C1CCC(=O)N1CNc1cccnc1,0,0.0,
+O=C1CCC(=O)N1OCCCCOc1ccccc1,0,0.0,
+O=C1CCC(=O)N1OCCCOc1ccc(Br)cc1Cl,0,0.0,
+O=C1CCC(=O)N1OCCCOc1ccc2c(c1)CCC2,0,0.0,
+O=C1CCC(=O)N1OCCOc1ccc2c(c1)CCC2,0,0.0,
+O=C1CCC(=O)N1c1ccc(CSc2nc3ccccc3[nH]2)cc1,0,0.0,
+O=C1CCC(=O)N1c1ccc(CSc2nnnn2C2CCCCC2)cc1,0,0.0,
+O=C1CCC(=O)N1c1cccc(-c2nc3ccccc3o2)c1,0,0.0,
+O=C1CCC(=O)N1c1ccccc1-c1ccccc1,0,0.0,
+O=C1CCC(=O)N1c1nc2n(n1)C(c1ccccc1)C=C(c1ccc(Br)cc1)N2,0,0.0,
+O=C1CCC(=O)N1c1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1,0,0.0,
+O=C1CCC(=O)c2oc3ccccc3c2N1,0,0.0,
+O=C1CCC(C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCCCC2)N1,0,0.0,
+O=C1CCC(C(=O)N(c2ccccc2)C2(C(=O)NC3CCCCC3)CCCCC2)N1,0,0.0,
+O=C1CCC(C(=O)NC2(C(=O)NC3CCCCC3)CCCCC2)N1,0,0.0,
+O=C1CCC(C(=O)NCCCn2ccnc2)N1,0,0.0,
+O=C1CCC(C(=O)Nc2ccc(OC(F)F)cc2)N1,0,0.0,
+O=C1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)N1,0,0.0,
+O=C1CCC(C(=O)Nc2cccc3ccccc23)N1,0,0.0,
+O=C1CCC(C(=O)O)(c2ccccc2)C1,0,0.0,
+O=C1CCC(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)N1,0,0.0,
+O=C1CCC(C(=O)OCc2cc(Cl)ccc2OC(F)F)N1,0,0.0,
+O=C1CCC(Cc2ccccc2)N1,0,0.0,
+O=C1CCC(c2ccccc2)N1C(=O)c1cccnc1,0,0.0,
+O=C1CCC/C1=c1\s/c(=C\c2cccnc2)c(=O)n1-c1ccccc1,0,0.0,
+O=C1CCC2CCCCC2(O)O1,0,0.0,
+O=C1CCCC(=NCc2ccco2)C1,0,0.0,
+O=C1CCCC(O)=C1C1C2=C(CCCC2=O)Oc2ccccc21,0,0.0,
+O=C1CCCC(O)=C1C=NCCc1ccccc1,0,0.0,
+O=C1CCCC(O)=C1C=Nc1ccc(O)cc1,0,0.0,
+O=C1CCCC(O)=C1C=Nc1ccc2c(c1)oc1ccccc12,0,0.0,
+O=C1CCCC/C1=C/Nc1ccc2c(c1)OCO2,0,0.0,
+O=C1CCCC/C1=C\Nc1ccc(Cl)cn1,0,0.0,
+O=C1CCCC/C1=C\Nc1ccc(O)cc1,0,0.0,
+O=C1CCCC/C1=C\Nc1ccccc1C(=O)O,0,0.0,
+O=C1CCCC2=C1C(Cc1ccccc1)C1=C(CCCC1=O)O2,0,0.0,
+O=C1CCCC2=C1C(O)(C(F)(F)F)C(=O)N2Cc1ccccc1,0,0.0,
+O=C1CCCC2=C1C(c1c(Cl)nc3sccn13)C1=C(CCCC1=O)N2,0,0.0,
+O=C1CCCC2=C1C(c1ccc(Br)cc1)c1c([nH]c(=S)[nH]c1=O)N2,0,0.0,
+O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)c1c([nH]n(-c3ccccc3)c1=O)N2,0,0.0,
+O=C1CCCC2=C1C(c1cccc(Br)c1)n1nc(-c3ccco3)nc1N2,0,0.0,
+O=C1CCCC2=C1C(c1ccccc1)C1=C(CCCC1=O)O2,0,0.0,
+O=C1CCCC2=C1C(c1ccccc1)CC(=O)N2c1ccccc1,0,0.0,
+O=C1CCCC2=C1C(c1ccccc1O)C1=C(CCCC1=O)O2,0,0.0,
+O=C1CCCC2=C1C(c1cccnc1)Nc1ccccc1N2,0,0.0,
+O=C1CCCC2=C1C(c1ccco1)Nc1ccc(C(=O)c3ccccc3)cc1N2,0,0.0,
+O=C1CCCC2=C1C(c1ccco1)Nc1ccc3ccccc3c12,0,0.0,
+O=C1CCCC2=C1C(c1cccs1)n1nc(SCc3ccccc3)nc1N2,0,0.0,
+O=C1CCCC2=C1C(c1cccs1)n1nc(SCc3ccccc3F)nc1N2,0,0.0,
+O=C1CCCC2=C1C(c1cccs1)n1ncnc1N2,0,0.0,
+O=C1CCCC2=C1C(c1ccncc1)c1c(nc(SCc3ccccc3)[nH]c1=O)N2,0,0.0,
+O=C1CCCC2=C1C(c1ccncc1)c1c(nc(SCc3ccccc3Cl)[nH]c1=O)N2,0,0.0,
+O=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1ccccc1,0,0.0,
+O=C1CCCC2=C1C(c1cn(-c3ccccc3)nc1-c1cccs1)c1c([nH]c(=O)[nH]c1=O)N2,0,0.0,
+O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3o1)N2,0,0.0,
+O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3s1)N2,0,0.0,
+O=C1CCCC2=C1C1(CCCCC1)N=C(Nc1nc3ccccc3o1)N2,0,0.0,
+O=C1CCCC2=C1C1(CCCCC1)N=C(Nc1nc3ccccc3s1)N2,0,0.0,
+O=C1CCCC2=C1C1(O)C(=O)c3ccccc3C1(O)O2,0,0.0,
+O=C1CCCC2C3CCCN4CCCC(CN12)C34,0,0.0,
+O=C1CCCCC(=O)N(c2ccccc2)c2ccccc21,0,0.0,
+O=C1CCCCC1Sc1nc2ccccc2o1,0,0.0,
+O=C1CCCCC1Sc1nnc(Cc2cccs2)n1CCc1ccccc1,0,0.0,
+O=C1CCCCCC1C1(O)C(=O)Nc2ccc(Br)cc21,0,0.0,
+O=C1CCCCCC1C1(O)C(=O)Nc2ccccc21,0,0.0,
+O=C1CCCCCN1C(=O)c1ccc(C(=O)N2CCCCCC2=O)cc1,0,0.0,
+O=C1CCCCCN1C(=O)c1cccc(C(=O)N2CCCCCC2=O)c1,0,0.0,
+O=C1CCCCCN1CP(=O)(O)CCc1ccccc1,0,0.0,
+O=C1CCCCCN1CP(=O)(O)CN1CCOCC1,0,0.0,
+O=C1CCCCCN1CSc1nc2ccccc2s1,0,0.0,
+O=C1CCCCCN1Cc1nnc(SCc2nc3ccccc3s2)n1-c1ccccn1,0,0.0,
+O=C1CCCCCN1Sc1ccccc1,0,0.0,
+O=C1CCCN1C(=O)CCC(=O)N1CCCC1=O,0,0.0,
+O=C1CCCN1CC(CN1CCOCC1)Sc1nc2ccccc2c(=O)n1-c1ccccc1,0,0.0,
+O=C1CCCN1CC(CN1CCOCC1)Sc1nnnn1-c1ccccc1,0,0.0,
+O=C1CCCN1CCC1CCN(C(=O)Nc2ccccc2)CC1,0,0.0,
+O=C1CCCN1CCC1CCN(C2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1,0,0.0,
+O=C1CCCN1CCC1CCN(C2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1,0,0.0,
+O=C1CCCN1CCC1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1,0,0.0,
+O=C1CCCN1CCCN1C(=O)N[C@@H](Cc2ccccc2)C1=O,0,0.0,
+O=C1CCCN1CCCNc1ccc(S(=O)(=O)N2CCCCC2)cn1,0,0.0,
+O=C1CCCN1CCCNc1ncnc2c1[nH]c1ccc(Cl)cc12,0,0.0,
+O=C1CCCN1CCCNc1ncnc2c1[nH]c1ccccc12,0,0.0,
+O=C1CCCN1CCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1,0,0.0,
+O=C1CCCN1CCCn1cnc2c([nH]c3ccc(F)cc32)c1=O,0,0.0,
+O=C1CCCN1CN(C(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1,0,0.0,
+O=C1CCCN1CN(C(=O)c1ccc2c(c1)OCO2)c1cccc(Cl)c1,0,0.0,
+O=C1CCCN1CN(C(=O)c1ccccc1)c1ccc(F)cc1,0,0.0,
+O=C1CCCN1CN1CCCCC1,0,0.0,
+O=C1CCCN1Cc1ncnn1-c1ccccc1,0,0.0,
+O=C1CCCN1c1cc(Cl)ccc1Cl,0,0.0,
+O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1,0,0.0,
+O=C1CCCN1c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1,0,0.0,
+O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1,0,0.0,
+O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0.0,
+O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+O=C1CCCc2[nH]nc(-c3cccnc3)c21,0,0.0,
+O=C1CCCc2c1[nH]c1c(Br)cccc21,0,0.0,
+O=C1CCCc2c1[nH]c1ccc(CN3CCCCC3)cc21,0,0.0,
+O=C1CCCc2c1[nH]c1ccccc21,0,0.0,
+O=C1CCCc2c1cc(C(=O)NC1CCSC1=O)c(=O)n2-c1ccccc1,0,0.0,
+O=C1CCCc2c1cc(C(=O)NCCCN1CCOCC1)c(=O)n2-c1ccc(Cl)cc1,0,0.0,
+O=C1CCCc2c1cc(C(=O)NCc1ccco1)c(=O)n2-c1ccc(Cl)cc1,0,0.0,
+O=C1CCCc2c1cc(C(=O)NCc1ccco1)c(=O)n2-c1ccccc1,0,0.0,
+O=C1CCCc2c1cc(C(=O)Nc1ccc(Br)cn1)c(=O)n2-c1ccccc1,0,0.0,
+O=C1CCCc2c1cc(C(=O)Nc1ccc(Cl)cn1)c(=O)n2-c1ccccc1,0,0.0,
+O=C1CCCc2c1nc(-c1ccco1)n2O,0,0.0,
+O=C1CCCc2c1nn(-c1ccccc1)[n+]2[O-],0,0.0,
+O=C1CCCc2nc(N3CCCCC3)sc21,0,0.0,
+O=C1CCCc2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncc21,0,0.0,
+O=C1CCCc2nc(N3CCN(Cc4ccccc4)CC3)ncc21,0,0.0,
+O=C1CCCc2nc(N3CCN(c4ccccc4)CC3)ncc21,0,0.0,
+O=C1CCCc2nc(N3CCc4ccccc43)ncc21,0,0.0,
+O=C1CCCc2nc(NCc3ccco3)ncc21,0,0.0,
+O=C1CCCc2nc3nc4ccccc4n3cc21,0,0.0,
+O=C1CCCc2nn(-c3ccccc3)c(-c3ccncc3)c21,0,0.0,
+O=C1CCCc2sc3c(c2N1)CCCCC3,0,0.0,
+O=C1CCCc2sccc2N1,0,0.0,
+O=C1CCN(C(=O)c2ccccc2)C2CCCCC12,0,0.0,
+O=C1CCN(Cc2nnnn2CC2CCCO2)c2ccccc2N1,0,0.0,
+O=C1CCN(S(=O)(=O)c2ccccc2)C2CCCCC12,0,0.0,
+O=C1CCN2C=Nc3cccc4ccc1c2c34,1,100.0,
+O=C1CCN=C(Nc2ccc(F)cc2)N1Cc1ccccc1,0,0.0,
+O=C1CCNc2cc3ccccc3cc21,0,0.0,
+O=C1CCSc2cccc3cccc(c23)N1,0,0.0,
+O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0,0.0,
+O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCc5ccccc54)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NCCC4=CCCCC4)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4Cl)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccn4)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)Nc4nccs4)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCCC3C(=O)N3CCN(c4ccccc4)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCCC3C(=O)N3CCN(c4ccccc4F)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)NC(C(=O)NCc3cccnc3)c3ccccc3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCCC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCC3CCCO3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N1,0,0.0,
+O=C1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc2N1,0,0.0,
+O=C1CCc2nc3ccccc3c(=O)n2N1,0,0.0,
+O=C1CCc2nc3sc4c(c3c(=O)n2N1)CCCC4,0,0.0,
+O=C1CCn2nc(-c3ccc(Cl)cc3)cc2N1,0,0.0,
+O=C1CN(C(=O)CC2c3ccccc3-c3ccccc32)CC(=O)N1,0,0.0,
+O=C1CN(C(=O)CCCc2c[nH]c3ccccc23)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)CCN2CCOCC2)C(c2ccccc2)c2cc(Br)ccc2N1,0,0.0,
+O=C1CN(C(=O)CN2CCCC2)C(c2ccccc2)c2cc(Br)ccc2N1,1,100.0,0.0
+O=C1CN(C(=O)CN2CCCCC2)C(c2ccccc2)c2cc(Br)ccc2N1,0,0.0,
+O=C1CN(C(=O)CN2CCOCC2)C(c2ccccc2)c2cc(Br)ccc2N1,0,0.0,
+O=C1CN(C(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)COC(=O)C2=COCCO2)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)COC(=O)C2CC(=O)N(Cc3ccco3)C2)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)COC(=O)COc2ccc3c(c2)CCC3)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)COC(=O)Cc2ccsc2)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)COc2ccccc2)CCN1,0,0.0,
+O=C1CN(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)CSc2nncn2-c2ccccc2)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)OCc2ccccc2)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccc(F)cc2)c2cc(Cl)ccc2N1,0,0.0,
+O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccc(F)cc2)c2cc(F)ccc2N1,0,0.0,
+O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(Br)ccc2N1,0,0.0,
+O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(Cl)ccc2N1,0,0.0,
+O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(F)ccc2N1,0,0.0,
+O=C1CN(C(=O)c2ccccc2)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)c2ccccc2F)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)c2ccccn2)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)c2ccco2)C(c2ccc(F)cc2)c2cc(Cl)ccc2N1,0,0.0,
+O=C1CN(C(=O)c2ccco2)C(c2ccccc2)c2cc(Cl)ccc2N1,0,0.0,
+O=C1CN(C(=O)c2cccs2)c2ccccc2N1,0,0.0,
+O=C1CN(C(=O)c2cnccn2)c2ccccc2N1,0,0.0,
+O=C1CN(CC(=O)N2CCCCC2)c2ccccc2O1,0,0.0,
+O=C1CN(CC(=O)N2CCOCC2)c2ccccc2O1,0,0.0,
+O=C1CN(Cc2ccccc2)C(=NCc2ccco2)S1,0,0.0,
+O=C1CN(S(=O)(=O)c2ccc(F)cc2)CC(=O)N1CCc1ccccc1,0,0.0,
+O=C1CN(S(=O)(=O)c2ccccc2)CC(=O)N1CCc1ccccc1,0,0.0,
+O=C1CN(c2ccc(Br)cc2)C(=O)N1CC(=O)N1CCCc2ccccc21,0,0.0,
+O=C1CN(c2ccccc2Cl)C(=O)CN1c1ccccc1Cl,0,0.0,
+O=C1CN(c2ccccc2F)C(=O)CN1c1ccccc1F,0,0.0,
+O=C1CN(c2nc3ccccc3n3cnnc23)CC(=O)N1CCc1ccccc1,0,0.0,
+O=C1CN2C(=N1)N(Cc1ccccc1)c1ccccc12,0,0.0,
+O=C1CN2C(=Nc3ccc(Br)cc3C2c2ccccc2)CCN1,0,0.0,
+O=C1CN2C(=Nc3ccc(Cl)cc3C2c2ccccc2)CN1,0,0.0,
+O=C1CN=C(Nc2cccc(C(F)(F)F)c2)N1C1CCCC1,0,0.0,
+O=C1CN=C(Nc2ccccc2F)N1c1ccccc1,0,0.0,
+O=C1CN=C(c2ccccc2)c2oc3ccc(Br)cc3c2N1,0,0.0,
+O=C1CN=C(c2cccs2)c2c(sc3c2CCCC3)N1,0,0.0,
+O=C1CNC(=O)/C1=C\N1CCCCC1,0,0.0,
+O=C1CNC(=O)/C1=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C1CNC(=O)c2c(nc3n2CCC3)N1,0,0.0,
+O=C1CNCc2[nH]c3ccccc3c2N1c1ccccc1,0,0.0,
+O=C1COc2ccc(-c3csc(NCC4CCCO4)n3)cc2N1,0,0.0,
+O=C1COc2ccc(C(=O)COC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2N1,0,0.0,
+O=C1COc2ccc(C(=O)COC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2N1,0,0.0,
+O=C1COc2ccc(C(=O)COC(=O)Cn3cnc4ccccc43)cc2N1,0,0.0,
+O=C1COc2ccc(C(=O)COC(=O)c3ccc4ccccc4n3)cc2N1,0,0.0,
+O=C1COc2ccc(C(=O)CSc3nnc(-c4cccs4)n3Cc3ccccc3)cc2N1,0,0.0,
+O=C1COc2ccc(C(=O)CSc3nnc(Cc4cccs4)n3-c3ccccc3)cc2N1,0,0.0,
+O=C1COc2ccc(C(=O)CSc3nnnn3-c3ccccc3)cc2N1,0,0.0,
+O=C1COc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2N1,0,0.0,
+O=C1COc2ccc(C(=O)NCc3ccco3)cc2N1,0,0.0,
+O=C1COc2ccc(C(=O)c3ccccc3)cc2CN1,0,0.0,
+O=C1COc2ccc(OCc3ccc(F)cc3)cc21,0,0.0,
+O=C1COc2ccc3ccccc3c2CN1,0,0.0,
+O=C1COc2ccccc2N1Cc1ccccc1Cl,0,0.0,
+O=C1COc2cccnc2N1,0,0.0,
+O=C1CS/C(=C/C(=O)c2ccccc2)N1,0,0.0,
+O=C1CS/C(=C\S(=O)(=O)c2ccc(Cl)cc2)N1,0,0.0,
+O=C1CS/C(=N\C(=O)N2c3ccccc3Sc3ccccc32)N1,0,0.0,
+O=C1CS/C(=N\c2ccccn2)N1C1CCCCC1,0,0.0,
+O=C1CSC(=NC(=O)c2ccccc2)N1,0,0.0,
+O=C1CSC(=NC2CCCCC2)N1,0,0.0,
+O=C1CSC(=Nc2cc(Cl)ccc2Cl)N1,0,0.0,
+O=C1CSC(=Nc2ccc(O)cc2)N1c1ccc(O)cc1,0,0.0,
+O=C1CSC(=Nc2ccccc2Cl)N1,0,0.0,
+O=C1CSC(=O)N1CCOCCN1C(=O)CSC1=O,0,0.0,
+O=C1CSC(=S)N1CC1CCCO1,0,0.0,
+O=C1CSC(=S)N1Cc1cccnc1,0,0.0,
+O=C1CSC(=S)N1c1cccnc1,0,0.0,
+O=C1CSC(c2cccc(F)c2)N1c1ccccc1F,0,0.0,
+O=C1CSC(c2ccccc2)N1CC12CC3CC(CC(O)(C3)C1)C2,0,0.0,
+O=C1CSC(c2ccccc2F)N1CCN1CCCCC1,1,100.0,1.0
+O=C1CSC(c2ccccn2)N1Cc1cn2ccccc2n1,0,0.0,
+O=C1CSC(c2ccccn2)N1c1cccc(Cl)c1,0,0.0,
+O=C1CSC(c2cccnc2)N1C1CCCCC1,0,0.0,
+O=C1CSC(c2ccco2)N1,0,0.0,
+O=C1CSC(c2cccs2)N1c1ccccc1,0,0.0,
+O=C1CSC(c2ccncc2)N1Cc1ccco1,0,0.0,
+O=C1CSC(c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1Cc1ccco1,0,0.0,
+O=C1CSC(c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)N1CCN1CCOCC1,0,0.0,
+O=C1CSC(c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccco1,0,0.0,
+O=C1CSC(c2cn(-c3ccccc3)nc2-c2cccs2)N1CC1CCCO1,0,0.0,
+O=C1CSC(c2nn(-c3ccccc3)cc2-c2cc3ccccc3oc2=O)N1Cc1ccco1,0,0.0,
+O=C1CSC2(CCCCC2)N1CCO,0,0.0,
+O=C1CSC2=NCN(c3ccc4c(c3)OCO4)CN12,0,0.0,
+O=C1CSC2N1CCNC21CCCCC1,0,0.0,
+O=C1CSc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2N1,0,0.0,
+O=C1CSc2ccccc2N1Cc1ccc(F)cc1,0,0.0,
+O=C1CSc2ccccc2N1Cc1ccccc1F,0,0.0,
+O=C1Cc2ccccc2C(=O)N1CCc1ccccc1,0,0.0,
+O=C1Cc2ccccc2C(c2ccccc2)N1,0,0.0,
+O=C1Cc2ccccc2N1c1ccccc1,0,0.0,
+O=C1Cn2c(nc3ccccc32)-c2ccccc2N1,0,0.0,
+O=C1Cn2c(nc3ccccc32)N1c1ccccc1F,0,0.0,
+O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1ccc(Cl)cc1,0,0.0,
+O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1ccccc1Cl,0,0.0,
+O=C1N(CCCCN2C(=O)C3(OCCO3)c3ccccc32)c2ccccc2C12OCCO2,0,0.0,
+O=C1N(CCCN2C(=O)C3(OCCO3)c3ccccc32)c2ccccc2C12OCCO2,0,0.0,
+O=C1N(CN2C(=O)C3(OCCO3)c3ccccc32)c2ccccc2C12OCCO2,0,0.0,
+O=C1N(CN2CCC3(CC2)OCCO3)c2ccccc2C12OCCCO2,0,0.0,
+O=C1N(CN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2C12OCCCO2,0,0.0,
+O=C1N(CN2CCOCC2)c2ccccc2C1(O)c1c[nH]c2ccccc12,0,0.0,
+O=C1N(Cc2ccc3c(c2)OCO3)c2ccccc2C1(O)c1c[nH]c2ccccc12,0,0.0,
+O=C1N(Cc2ccccc2)CCCC12CCCN(Cc1ccccc1)C2=O,0,0.0,
+O=C1N(O)C2(C=CCCC2)/C(=N\O)C12CCCCC2,0,0.0,
+O=C1N(S(=O)(=O)c2ccccc2F)C(=O)C2(CCCC2)N1S(=O)(=O)c1ccccc1F,0,0.0,
+O=C1N(c2ccc(Cl)c(Cl)c2)CN(Cc2ccccc2)CN1n1cnnc1,0,0.0,
+O=C1N(c2ccccc2)C2CS(=O)(=O)CC2N1c1ccc(Br)cc1,0,0.0,
+O=C1N(c2ccccc2)C2CS(=O)(=O)CC2N1c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C1N/C(=C\c2ccccc2)c2ccccc21,0,0.0,
+O=C1N/C(=N/c2ccccn2)SC1Cc1ccccc1,0,0.0,
+O=C1N2CCCc3cccc(c32)C12Nc1ccccc1S2,0,0.0,
+O=C1N2CCSC2=NC1(NS(=O)(=O)c1ccccc1)C(F)(F)F,0,0.0,
+O=C1N2CCSC2=NC1(Nc1ccccn1)C(F)(F)F,0,0.0,
+O=C1N2CCSC2=NC1(Nc1nccs1)C(F)(F)F,0,0.0,
+O=C1N2CN(C(c3ccccc3)c3ccccc3)CN=C2SC1(CO)CO,0,0.0,
+O=C1N2c3ccccc3CCc3cccc(c32)C1(O)C(F)(F)F,0,0.0,
+O=C1N=C(N2CCCCC2)SC1=C1CCCC1,0,0.0,
+O=C1N=C(N2CCOCC2)CS1,0,0.0,
+O=C1N=C(N2CCOCC2)SC1=C1CCCCC1,0,0.0,
+O=C1N=C(c2ccccc2)C(c2ccccc2)N1,0,0.0,
+O=C1N=c2ccccc2=C1c1sc(=S)n(CC2CCCO2)c1O,0,0.0,
+O=C1NC(=O)C(C/C=C/c2ccccc2)C(=O)N1,0,0.0,
+O=C1NC(=O)C(CC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCCCC2)N1,0,0.0,
+O=C1NC(=O)C(CC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N1,0,0.0,
+O=C1NC(=O)C(CC(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1,0,0.0,
+O=C1NC(=O)C(CC(=O)N2CCCCC2)S1,0,0.0,
+O=C1NC(=O)C(CC(=O)N2CCOCC2)S1,0,0.0,
+O=C1NC(=O)C(CCc2ccncc2)(C2CCCCC2)C(=O)N1,1,100.0,1.0
+O=C1NC(=O)C(CCc2ccncc2)(c2ccccc2)C(=O)N1,0,0.0,
+O=C1NC(=O)C(Cc2cccs2)C(=O)N1,0,0.0,
+O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,0,0.0,
+O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1,0,0.0,
+O=C1NC(=O)C2(CCC(C(=O)O)C2)N1,0,0.0,
+O=C1NC(=O)C2(CCc3ccccc32)N1,0,0.0,
+O=C1NC(=O)C2(COC3(CCCC3)OC2)S1,0,0.0,
+O=C1NC(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCCCCC32)C(=O)N1Cc1ccccc1,0,0.0,
+O=C1NC(=O)C2(Cc3ccccc3N3CCCC32)C(=O)N1Cc1ccccc1,0,0.0,
+O=C1NC(=O)C2(Cc3ccccc3N3CCCC32)C(=O)N1c1ccc(Cl)cc1,0,0.0,
+O=C1NC(=O)C2(Cc3ccccc3N3CCCC32)C(=O)N1c1cccc(Cl)c1,0,0.0,
+O=C1NC(=O)C2(Cc3ccccc3N3CCCC32)C(=O)N1c1ccccc1,0,0.0,
+O=C1NC(=O)C2C3c4ccccc4C(c4ccccc43)C12,0,0.0,
+O=C1NC(=O)N(C2CCCCC2)C(=O)C1C1c2ccccc2C(=O)N1Cc1ccccc1,0,0.0,
+O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/N1CCOCC1,0,0.0,
+O=C1NC(=O)[C@@H]2C3c4ccccc4C=CN3[C@H](C(=O)c3cccs3)[C@H]12,0,0.0,
+O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)CC32)C(=O)N1Cc1ccccc1,0,0.0,
+O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)CC32)C(=O)N1c1ccccc1,0,0.0,
+O=C1NC(=O)c2c(NC(=O)C3CCCO3)cccc21,0,0.0,
+O=C1NC(=S)S/C1=C1\Sc2ccccc2N1CCCS(=O)(=O)O,0,0.0,
+O=C1NC(=S)SC1=C1CCCCCC1,0,0.0,
+O=C1NC(CCc2ccccc2)C(=O)N1Cc1nnc(-c2ccccc2Br)o1,0,0.0,
+O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1CCOc1ccc(F)cc1,0,0.0,
+O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1CCOc1ccccc1,0,0.0,
+O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1nnc(-c2ccccc2Br)o1,0,0.0,
+O=C1NC(NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccnc1,0,0.0,
+O=C1NC(Nc2ccccn2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1NC(Nc2nc3ccccc3s2)(C(F)(F)F)C(=O)N1C1CCCCC1,1,100.0,1.0
+O=C1NC(Nc2nccs2)(C(F)(F)F)C(=O)N1CCc1ccccc1,0,0.0,
+O=C1NC(c2cc3c(cc2Cl)OCO3)Oc2ccccc21,0,0.0,
+O=C1NC(c2ccc3c(c2)OCO3)Nc2ccccc21,0,0.0,
+O=C1NC(c2ccc3c(c2)OCO3)Oc2ccccc21,0,0.0,
+O=C1NC(c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccnc1,0,0.0,
+O=C1NC(c2ccccc2)(C(F)(F)F)SC2=CCCCCN12,0,0.0,
+O=C1NC(c2ccccc2)(C(F)(F)F)SC2=NCCCN12,0,0.0,
+O=C1NC(c2ccccc2)C(C(=O)c2cccs2)=C1O,0,0.0,
+O=C1NC(c2ccccc2)C(C(=O)c2cccs2)C(O)(C(F)(F)F)N1,0,0.0,
+O=C1NC(c2ccccc2Cl)Nc2ccccc21,0,0.0,
+O=C1NC(c2ccccn2)Nc2sc3c(c21)CCC3,0,0.0,
+O=C1NC(c2cccnc2)C(C(=O)c2cccs2)C(O)(C(F)(F)F)N1,0,0.0,
+O=C1NC(c2ccco2)Nc2ccccc21,0,0.0,
+O=C1NC(c2ccco2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3,1,100.0,
+O=C1NC(c2cccs2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1,0,0.0,
+O=C1NC(c2cccs2)Nc2ccccc21,0,0.0,
+O=C1NC(c2cccs2)Nc2sc3c(c21)CCCC3,0,0.0,
+O=C1NC(c2cccs2)Oc2ccccc21,0,0.0,
+O=C1NC(c2ccncc2)Nc2ccccc21,0,0.0,
+O=C1NC(c2ccncc2)Nc2sc3c(c21)CCCC3,0,0.0,
+O=C1NC2(CCCC2)N=C1c1ccc(Cl)cc1,0,0.0,
+O=C1NC2(CCCCC2)Cc2ccccc21,0,0.0,
+O=C1NC2(CCCCC2)N=C1c1ccc(F)cc1,0,0.0,
+O=C1NC2(CCCCC2)N=C1c1ccccc1,0,0.0,
+O=C1NC2(CCCCC2)Oc2ccccc21,0,0.0,
+O=C1NC2(CCCc3ccccc32)C(=O)N1Cc1nnc(-c2ccccc2Br)o1,0,0.0,
+O=C1NC2(CCOc3ccccc32)C(=O)N1CC(=O)N(Cc1ccccc1)C1CCS(=O)(=O)C1,0,0.0,
+O=C1NC2(Nc3ccccc31)C(=O)Nc1ccccc12,0,0.0,
+O=C1NC2=C(C(=O)CCC2)C(c2ccc3ncccc3c2)N1,0,0.0,
+O=C1NC2=C(C(=O)c3ccccc32)C(c2ccccc2)N1,0,0.0,
+O=C1NC2CCCCC2NC1CC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+O=C1NC2NC(=O)N(C(Cc3ccccc3)C(=O)O)C2N1,0,0.0,
+O=C1NC2c3ccccc3C(=O)N2c2c1cnn2-c1ccccc1,0,0.0,
+O=C1NCC(CN(c2ccccc2)c2ccccc2)O1,0,0.0,
+O=C1NCC(COCC2CC=CCC2)O1,0,0.0,
+O=C1NCC(COCc2ccccc2)O1,0,0.0,
+O=C1NCC(COCc2ccco2)O1,0,0.0,
+O=C1NCC(O)=C1C=NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C1NCC(O)=C1C=NCCCO,0,0.0,
+O=C1NCC2=C1C(c1ccc(Br)cc1)Nc1ccccc1N2,0,0.0,
+O=C1NCC2=C1C(c1ccccc1)Nc1ccccc1N2,0,0.0,
+O=C1NCCCC1C(=O)N1CCN(C(=O)C2CCCNC2=O)CC1,0,0.0,
+O=C1NCCCC1C(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C1NCCCC1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=C1NCCCC1C(=O)NCCN1C(=O)CCC1=O,0,0.0,
+O=C1NCCCC1C(=O)NCCNC(=O)C(F)(F)F,0,0.0,
+O=C1NCCCC1C(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C1NCCCC1C(=O)Nc1ccccn1,0,0.0,
+O=C1NCCCC2c3c(cc(Br)c(O)c3Br)OC12N1CCOCC1,0,0.0,
+O=C1NCCCC2c3cc(O)c4ccccc4c3OC12N1CCCCC1,0,0.0,
+O=C1NCCCCC1NC1CC(=O)N(c2ccccc2)C1=O,0,0.0,
+O=C1NCCCN1Cc1ccc(F)cc1Cl,0,0.0,
+O=C1NCCCc2c1no[n+]2[O-],0,0.0,
+O=C1NCCCc2c1oc1cc(Br)c(O)c(Br)c21,0,0.0,
+O=C1NCCCc2c1oc1ccc(O)cc21,0,0.0,
+O=C1NCCCc2nc(Oc3ccccc3)sc21,1,100.0,0.0
+O=C1NCCCc2nonc21,0,0.0,
+O=C1NCCN1C(=O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C1NCCN1C(=O)N(c1ccccc1)c1ccccc1,0,0.0,
+O=C1NCCN1C(=O)c1cccc(Cl)c1,0,0.0,
+O=C1NCCN1C(=O)c1ccccc1F,0,0.0,
+O=C1NCCN1C(=O)c1ccco1,0,0.0,
+O=C1NCCN1CCNS(=O)(=O)c1ccc2ccccc2c1,0,0.0,
+O=C1NCCN1Cc1cccc(Cl)c1,0,0.0,
+O=C1NCCN1Cc1ccccc1F,0,0.0,
+O=C1NCCN2CCCC12,0,0.0,
+O=C1NCCNC1(c1c[nH]c2ccccc12)C(F)(F)F,0,0.0,
+O=C1NCCc2c1[nH]c1c(Cl)ccc(Cl)c21,0,0.0,
+O=C1NCN(c2ccccc2)C12CCN(c1nnnn1-c1ccccc1)CC2,0,0.0,
+O=C1NCN(c2ccccc2)C12CCNCC2,0,0.0,
+O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]12,0,0.0,
+O=C1Nc2c(Br)cc(Br)cc2C1(O)N1CCOCC1,0,0.0,
+O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)C1(Nc1ncccn1)C(F)(F)F,0,0.0,
+O=C1Nc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2SC1N1CCOCC1,0,0.0,
+O=C1Nc2cc(C(=O)N3CCOCC3)ccc2SC1N1CCOCC1,0,0.0,
+O=C1Nc2cc(Cl)ccc2C1(N1CCNCC1)C(F)(F)F,0,0.0,
+O=C1Nc2cc(Cl)cnc2N2CCCC12,0,0.0,
+O=C1Nc2cc3c(cc2Sc2ccccc21)OCCO3,0,0.0,
+O=C1Nc2ccc(Br)cc2C1(O)Cc1ccncc1,0,0.0,
+O=C1Nc2ccc(NS(=O)(=O)c3cccs3)c3cccc1c23,0,0.0,
+O=C1Nc2ccc(S(=O)(=O)N3CCCC3)c3ccc(S(=O)(=O)N4CCCC4)c1c23,0,0.0,
+O=C1Nc2ccc(S(=O)(=O)N3CCCC3C(=O)O)c3cccc1c23,0,0.0,
+O=C1Nc2ccc(S(=O)(=O)N3CCCCCC3)c3cccc1c23,0,0.0,
+O=C1Nc2ccc(S(=O)(=O)N3CCOCC3)c3cccc1c23,0,0.0,
+O=C1Nc2ccc(S(=O)(=O)NCCC3=CCCCC3)c3cccc1c23,0,0.0,
+O=C1Nc2ccc(S(=O)(=O)NCc3ccccn3)c3cccc1c23,0,0.0,
+O=C1Nc2ccc(S(=O)(=O)NCc3ccco3)c3cccc1c23,0,0.0,
+O=C1Nc2ccccc2C(O)(C(=O)NC2CC2)N1c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C1Nc2ccccc2C(O)(C(=O)NCc2ccc3c(c2)OCO3)N1c1ccccc1,0,0.0,
+O=C1Nc2ccccc2C(O)(C(=O)NCc2ccco2)N1c1ccc(Cl)c(Cl)c1,0,0.0,
+O=C1Nc2ccccc2C(O)(C(=O)NCc2ccco2)N1c1ccc(Cl)cc1,0,0.0,
+O=C1Nc2ccccc2C(O)(C(=O)NCc2ccco2)N1c1ccccc1,0,0.0,
+O=C1Nc2ccccc2C1(O)Cc1ccncc1,0,0.0,
+O=C1Nc2ccccc2C12Nc1ccccc1-c1nc3ccccc3n12,0,0.0,
+O=C1Nc2ccccc2C12Nc1ccccc1S2,0,0.0,
+O=C1Nc2ccccc2C12OC1CCCCC1O2,0,0.0,
+O=C1Nc2ccccc2C12OCC(COc1ccc(Cl)cc1)O2,0,0.0,
+O=C1Nc2ccccc2C12OCC1(CO2)COC2(OC1)C(=O)Nc1ccccc12,0,0.0,
+O=C1Nc2ccccc2C12OCCCCO2,0,0.0,
+O=C1Nc2ccccc2C12OCCCO2,0,0.0,
+O=C1Nc2ccccc2C12OCCO2,0,0.0,
+O=C1Nc2ccccc2C12OCCS2,0,0.0,
+O=C1Nc2ccccc2C1=Nc1ccc(-c2nnc3n2CCCCC3)cc1,0,0.0,
+O=C1Nc2ccccc2N=C(c2ccccc2)C1N1CCOCC1,0,0.0,
+O=C1Nc2ccccc2OC1CC(=O)N1CCCC1,0,0.0,
+O=C1Nc2ccccc2OC1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=C1Nc2ccccc2OC1CC(=O)N1CCOCC1,0,0.0,
+O=C1Nc2ccccc2SC(c2ccccc2)C1O,0,0.0,
+O=C1Nc2cccnc2Sc2ccccc21,0,0.0,
+O=C1O/C(=C\C(=O)N2CCOCC2)c2ccccc21,0,0.0,
+O=C1OC(N2CCN(C(=O)C3CCCO3)CC2)c2ccccc21,0,0.0,
+O=C1OC(N2CCN(C(=O)c3ccco3)CC2)c2ccccc21,1,100.0,0.0
+O=C1OC(N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21,0,0.0,
+O=C1OC(N2CCN(Cc3ccccc3)CC2)c2ccccc21,0,0.0,
+O=C1OC(N2CCN(c3ccccn3)CC2)c2ccccc21,0,0.0,
+O=C1OC(NC(=O)c2ccccc2)C(N2CCOCC2)=C1Cl,0,0.0,
+O=C1OC(NC(=O)c2ccccc2)C(n2cc(CO)nn2)=C1Cl,0,0.0,
+O=C1OC(Nc2ccc(Br)cc2F)c2ccccc21,0,0.0,
+O=C1OC(Nc2ccc(Br)cn2)c2ccccc21,0,0.0,
+O=C1OC(Nc2ccc(F)cc2F)c2ccccc21,0,0.0,
+O=C1OC(Nc2ccc3c(c2)OCO3)c2ccccc21,0,0.0,
+O=C1OC(Nc2nc3ccccc3s2)c2ccccc21,0,0.0,
+O=C1OC(Nc2nccs2)c2ccccc21,0,0.0,
+O=C1OC(c2ccc(Br)cc2)=N/C1=C\N1CCCCC1,0,0.0,
+O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,0,0.0,
+O=C1OC(c2ccccc2)=C/C1=C/N1CCCCC1,0,0.0,
+O=C1OC(c2ccccc2)=C/C1=C\N1CCOCC1,0,0.0,
+O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc2c(c1)OCO2,0,0.0,
+O=C1OC2(CCCCC2)OC(=O)C1=CNc1nccs1,0,0.0,
+O=C1OC2(c3ccccc3)C3CCCC2C13,0,0.0,
+O=C1OC2CC3CC1CC(O)(C3)C2,0,0.0,
+O=C1OC2CCC1(c1ccccc1)C2,0,0.0,
+O=C1OCC(Cn2c3ccccc3c3ccccc32)O1,0,0.0,
+O=C1OCC(c2ccccc2)=C1c1ccc(S(=O)(=O)N2CCOCC2)s1,0,0.0,
+O=C1OCC2=C1C(c1ccc3c(c1)OCO3)Sc1ccccc1N2,0,0.0,
+O=C1OCCC1N1C(=O)c2ccccc2S1(=O)=O,0,0.0,
+O=C1OCCC1NC1=NCCC1,0,0.0,
+O=C1OCCC1S(=O)(=O)c1ccc2ccccc2c1,0,0.0,
+O=C1OCCC1Sc1nc(-c2ccccc2)cs1,0,0.0,
+O=C1OCCC1Sc1nc2cc(Cl)ccc2o1,0,0.0,
+O=C1OCCC1Sc1nc2cc(Cl)ccc2s1,0,0.0,
+O=C1OCCC1Sc1nc2ccccc2[nH]1,0,0.0,
+O=C1OCCC1Sc1nc2ccccc2n1-c1ccccc1,0,0.0,
+O=C1OCCC1Sc1nc2ccccc2n1Cc1ccccc1,0,0.0,
+O=C1OCCC1Sc1nc2ccccc2o1,0,0.0,
+O=C1OCCC1Sc1nc2ccccc2s1,0,0.0,
+O=C1OCCC1Sc1ncnc2sc3c(c12)CCC3,0,0.0,
+O=C1OCCC1Sc1ncnc2sccc12,0,0.0,
+O=C1OCCC1Sc1nnc(-c2ccc(Br)cc2)o1,0,0.0,
+O=C1OCCC1Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1,0,0.0,
+O=C1OCCC1Sc1nnc(-c2ccccc2)o1,0,0.0,
+O=C1OCCC1Sc1nnc(-c2ccco2)o1,0,0.0,
+O=C1OCCC1Sc1nnc(-c2cccs2)n1Cc1ccccc1,0,0.0,
+O=C1OCCN1CCN(CN1C(=O)CCC1=O)CN1C(=O)CCC1=O,0,0.0,
+O=C1OCCN1P(=O)(c1ccccc1)c1ccccc1,0,0.0,
+O=C1OCc2cc(NC(=O)C3CCCCC3)ccc21,0,0.0,
+O=C1OCc2cc(NC(=O)C3CCCO3)ccc21,0,0.0,
+O=C1OCc2cc(NC(=O)C3COc4ccccc4O3)ccc21,0,0.0,
+O=C1OCc2cc(NS(=O)(=O)c3cccs3)ccc21,0,0.0,
+O=C1OCc2ccc(NC(=O)C3CCCCC3)cc21,0,0.0,
+O=C1SC(SCc2ccccc2)=N/C1=C\c1ccco1,0,0.0,
+O=C1SC(c2ccccc2)=C/C1=C\N1CCCCC1,0,0.0,
+O=C1SC(c2ccccc2)=N/C1=C/c1ccco1,0,0.0,
+O=C1[C@@H]2C(Cc3ccc(O)cc3)NC3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1[C@@H]2C(Cc3ccc(O)cc3)NC3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccccc1,0,0.0,
+O=C1[C@@H]2C(c3ccccc3Cl)=NO[C@@H]2C(=O)N1Cc1ccccc1,0,0.0,
+O=C1[C@@H]2CSCN2C(=O)CN1CCc1cccc(F)c1,0,0.0,
+O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1c1cccc(F)c1,0,0.0,
+O=C1[C@@H]2[C@H](C(=O)N1O)[C@H]1C=C[C@@H]2C1,0,0.0,
+O=C1[C@@H]2[C@H](C(=O)N1n1cnnc1)[C@H]1C=C[C@@H]2C1,0,0.0,
+O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(F)cc1,0,0.0,
+O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)cc(Cl)c1)[C@]1(C(=O)Nc3ccccc31)N1CCC[C@@H]21,0,0.0,
+O=C1c2[nH]nc(-c3ccccc3O)c2C(c2ccc(F)cc2)N1CC1CCCO1,0,0.0,
+O=C1c2[nH]nc(-c3ccccc3O)c2C(c2ccc(F)cc2)N1Cc1ccco1,0,0.0,
+O=C1c2[nH]nc(-c3ccccc3O)c2C(c2cccc(Cl)c2)N1CC1CCCO1,0,0.0,
+O=C1c2[nH]nc(-c3ccccc3O)c2C(c2cccc(Cl)c2)N1Cc1ccco1,0,0.0,
+O=C1c2[nH]nc(-c3ccccc3O)c2C(c2ccccc2F)N1Cc1ccco1,0,0.0,
+O=C1c2ccc(-c3nc4ccccc4o3)cc2C(=O)N1Cc1cccnc1,0,0.0,
+O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCCCO)C4=O)cc2C(=O)N1CCCCO,0,0.0,
+O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCCO)C4=O)cc2C(=O)N1CCCO,0,0.0,
+O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1O,0,0.0,
+O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccccn1,0,0.0,
+O=C1c2cccc3cccc(c23)C(=O)N1c1cccnc1,0,0.0,
+O=C1c2cccc3cccc(c23)C(=O)N1c1nccs1,0,0.0,
+O=C1c2cccc3cccc(c23)C(=O)N1c1nncs1,0,0.0,
+O=C1c2cccc3cccc(c23)N1CN1CCN(c2ccccn2)CC1,0,0.0,
+O=C1c2ccccc2-c2c1cccc2C(=O)N(CCO)CCO,0,0.0,
+O=C1c2ccccc2-c2c1cccc2C(=O)N1CCN(C(=O)c2ccco2)CC1,0,0.0,
+O=C1c2ccccc2-c2c1nc1c([n+]2[O-])CCCC1,0,0.0,
+O=C1c2ccccc2-c2ccc(C(=O)N3CCOCC3)cc21,0,0.0,
+O=C1c2ccccc2-c2nc3ncnn3c(-c3ccccc3)c21,0,0.0,
+O=C1c2ccccc2-c2nc3ncnn3c(-c3ccccc3Cl)c21,0,0.0,
+O=C1c2ccccc2-c2nccnc21,0,0.0,
+O=C1c2ccccc2-c2ncnc3c(N4CCOCC4)cc(N4CCOCC4)c1c23,0,0.0,
+O=C1c2ccccc2-c2ncnc3cccc1c23,0,0.0,
+O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23,1,100.0,
+O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23,0,0.0,
+O=C1c2ccccc2C(=O)C12Cc1ccccc1N1CCN(c3ccccc3)CC12,0,0.0,
+O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1,0,0.0,
+O=C1c2ccccc2C(=O)C1c1ccncc1,0,0.0,
+O=C1c2ccccc2C(=O)C1c1nccc2ccccc12,0,0.0,
+O=C1c2ccccc2C(=O)N1C/C=C/CN1C(=O)c2ccccc2C1=O,0,0.0,
+O=C1c2ccccc2C(=O)N1C/C=C/c1ccccc1,0,0.0,
+O=C1c2ccccc2C(=O)N1CC#CCN1CCN(C2CCCCC2)CC1,0,0.0,
+O=C1c2ccccc2C(=O)N1CC(O)COCc1ccccc1,0,0.0,
+O=C1c2ccccc2C(=O)N1CC(O)Cn1nnc2ccccc21,0,0.0,
+O=C1c2ccccc2C(=O)N1CC1=CCS(=O)(=O)C1,1,100.0,0.0
+O=C1c2ccccc2C(=O)N1CC1c2ccccc2CCN1C(=O)N1CCOCC1,0,0.0,
+O=C1c2ccccc2C(=O)N1CC1c2ccccc2CCN1S(=O)(=O)c1cnc[nH]1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCC(=O)N1CCCc2ccccc21,0,0.0,
+O=C1c2ccccc2C(=O)N1CCC(=O)N1CCc2ccccc21,0,0.0,
+O=C1c2ccccc2C(=O)N1CCC(c1ccc(F)cc1)c1ccco1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCC(=O)N1CCCc2ccccc21,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCC(=O)N1CCc2ccccc21,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCCCC(=O)N1CCc2ccccc21,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccco1)c1ccc(Cl)cc1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCCN1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCCSc1nnc(-c2ccc(OC(F)F)cc2)o1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCCSc1nnc2ccccn12,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCCSc1nnnn1-c1ccccc1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCCn1c(=O)oc2ccccc21,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCOCc1c[nH]c(=O)[nH]c1=O,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCOc1ccccc1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCP(=O)(O)CCc1ccccc1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCSc1nc2ccccc2o1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccc(Cl)cc2)no1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccccn2)no1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCc1nc(-c2cccnc2)no1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1-c1cccnc1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1CCCn1ccnc1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCn1c(=O)oc2ccccc21,0,0.0,
+O=C1c2ccccc2C(=O)N1CCCn1nnc(-c2ccc(N3CCOCC3)cc2)n1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCN1CCCCC1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCN1CCN(c2nc(-c3ccccc3)cs2)CC1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCN1CCOCC1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCN1CCc2ccccc21,0,0.0,
+O=C1c2ccccc2C(=O)N1CCOCCN1C(=O)c2ccccc2C1=O,1,100.0,0.0
+O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccco2)n1Cc1ccccc1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCSc1nncs1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCc1ccccn1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccccn2)no1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCc1nc(-c2cccnc2)no1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1-c1ccccn1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1CCCn1ccnc1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCc1nn[nH]n1,0,0.0,
+O=C1c2ccccc2C(=O)N1CCn1c(=O)oc2ccccc21,0,0.0,
+O=C1c2ccccc2C(=O)N1CCn1nc(Cl)nc1Cl,0,0.0,
+O=C1c2ccccc2C(=O)N1CNc1ccccc1,0,0.0,
+O=C1c2ccccc2C(=O)N1CSc1ncccn1,0,0.0,
+O=C1c2ccccc2C(=O)N1CSc1nnnn1-c1ccccc1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccc2)no1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccn2)no1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nc(-c2cccnc2)no1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccncc2)no1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cn1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1ccccn1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1cccnc1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1CCCN1CCOCC1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1CCCn1ccnc1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1CCN1CCOCC1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2o1,0,0.0,
+O=C1c2ccccc2C(=O)N1Cc1nn2c(-c3ccc(Cl)cc3)nnc2s1,0,0.0,
+O=C1c2ccccc2C(=O)N1OCCOCCOCCON1C(=O)c2ccccc2C1=O,0,0.0,
+O=C1c2ccccc2C(=O)N1OCc1ccccc1,0,0.0,
+O=C1c2ccccc2C(=O)N1SC1CCCCC1,0,0.0,
+O=C1c2ccccc2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1,0,0.0,
+O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+O=C1c2ccccc2C(=O)N1c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1,0,0.0,
+O=C1c2ccccc2C(=O)N1c1ccc2nc(-c3ccco3)[nH]c2c1,0,0.0,
+O=C1c2ccccc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1,0,0.0,
+O=C1c2ccccc2C(=O)N1c1ccccc1[S+]([O-])C(F)(F)F,0,0.0,
+O=C1c2ccccc2C(=O)N1c1n[nH]c(CCc2ccccc2)n1,0,0.0,
+O=C1c2ccccc2C(=O)N1c1nc(-c2cccs2)cs1,0,0.0,
+O=C1c2ccccc2C(=O)N1c1nc2nccc(-c3ccccc3)n2n1,0,0.0,
+O=C1c2ccccc2C(=O)N1c1ncccn1,0,0.0,
+O=C1c2ccccc2C(=O)N1n1c(=O)[nH]c2ccccc2c1=O,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(-c3nc4ccccc4[nH]3)cc2)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(Cl)cn2)N1c1ccccn1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(Cl)cn2)N1c1cccnc1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(F)c(Cl)c2)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(F)c(Cl)c2)N1c1ccccn1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(F)cc2F)N1CCN1CCOCC1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1c1ccccn1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)N1c1cccnc1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1Cc1ccc2c(c1)OCO2,0,0.0,
+O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1Cc1ccccc1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1c1ccc(Cl)cn1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1c1ccccn1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc3c(c2)OCO3)N1Cc1ccc2c(c1)OCO2,0,0.0,
+O=C1c2ccccc2C(Nc2ccc3c(c2)OCO3)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc3nc(-c4cccnc4)[nH]c3c2)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(Nc2cccc(C(F)(F)F)c2)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(Nc2ccccc2F)N1c1cccnc1,0,0.0,
+O=C1c2ccccc2C(Nc2cccnc2)N1Cc1ccc2c(c1)OCO2,0,0.0,
+O=C1c2ccccc2C(Nc2cccnc2)N1Cc1ccccc1Cl,0,0.0,
+O=C1c2ccccc2C(O)(Cc2ccccc2)N1C1CCCCC1,0,0.0,
+O=C1c2ccccc2C(O)(Cc2ccccc2)N1CCCN1CCOCC1,0,0.0,
+O=C1c2ccccc2C(O)(Cc2ccccc2)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(O)(Cc2ccccc2)N1c1ccc2c(c1)OCO2,0,0.0,
+O=C1c2ccccc2C(O)(c2ncc[nH]2)N1C1CCCCC1,0,0.0,
+O=C1c2ccccc2C(O)N1CCN1CCOCC1,0,0.0,
+O=C1c2ccccc2C(O)N1Cc1ccc2c(c1)OCO2,0,0.0,
+O=C1c2ccccc2C(O)N1Cc1ccccc1,0,0.0,
+O=C1c2ccccc2C(O)N1Cc1ccccc1Cl,0,0.0,
+O=C1c2ccccc2C(O)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(O)N1c1ccc(Cl)cc1,0,0.0,
+O=C1c2ccccc2C(O)N1c1cccnc1,0,0.0,
+O=C1c2ccccc2C2(c3ccc(Cl)cc3)NCCN12,0,0.0,
+O=C1c2ccccc2C2(c3ccccc3)NCCN12,0,0.0,
+O=C1c2ccccc2C2NC(=O)C3(CCCCC3)N12,0,0.0,
+O=C1c2ccccc2CC1Sc1nnc(-c2ccccn2)o1,0,0.0,
+O=C1c2ccccc2CC1Sc1nnc(-c2ccncc2)o1,0,0.0,
+O=C1c2ccccc2CN1CCNS(=O)(=O)c1ccc(Cl)cc1,1,100.0,0.0
+O=C1c2ccccc2N(Cc2ccc(Cl)cc2)C2=NCCN12,0,0.0,
+O=C1c2ccccc2N2C(=O)c3ccccc3C2N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2N2C(=O)c3ccccc3C2N1O,0,0.0,
+O=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1O,0,0.0,
+O=C1c2ccccc2NC(c2ccc(F)cc2)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2NC(c2ccc3c(c2)OCCO3)N1c1ccc2c(c1)OCCO2,0,0.0,
+O=C1c2ccccc2NC(c2ccc3c(c2)OCO3)N1O,0,0.0,
+O=C1c2ccccc2NC(c2cccc(F)c2)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2NC(c2ccccc2)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2NC(c2ccccc2)N1c1ccc(O)cc1,0,0.0,
+O=C1c2ccccc2NC(c2ccccn2)N1c1ccc(Cl)cc1,0,0.0,
+O=C1c2ccccc2NC(c2ccco2)N1O,0,0.0,
+O=C1c2ccccc2NC(c2ccncc2)N1c1ccccn1,0,0.0,
+O=C1c2ccccc2NC2(CCCCC2)N1c1ccc(O)cc1,0,0.0,
+O=C1c2ccccc2NC2CCCCC12,0,0.0,
+O=C1c2ccccc2NC2CCCCCN12,0,0.0,
+O=C1c2ccccc2OCOc2ccccc21,0,0.0,
+O=C1c2ccccc2S(=O)(=O)N1CC(O)COc1ccc(Br)cc1,0,0.0,
+O=C1c2ccccc2S(=O)(=O)N1CC(O)COc1ccc(Cl)cc1,0,0.0,
+O=C1c2ccccc2S(=O)(=O)N1CC(O)Cn1c2ccccc2c2ccccc21,0,0.0,
+O=C1c2ccccc2S(=O)(=O)N1CC(O)Cn1ccc2ccccc21,0,0.0,
+O=C1c2ccccc2S(=O)(=O)N1CC1CC(c2ccccc2)=NO1,0,0.0,
+O=C1c2ccccc2S(=O)(=O)N1CCOc1ccc(F)cc1,0,0.0,
+O=C1c2ccccc2S(=O)(=O)N1CCOc1ccccc1,0,0.0,
+O=C1c2ccccc2S(=O)(=O)N1Cc1cc(=O)n2ccsc2n1,0,0.0,
+O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=C1c2ccccc2S(=O)(=O)N1Cc1nc2ccccc2s1,0,0.0,
+O=C1c2ccccc2S(=O)(=O)N1Cc1nnc(-c2ccccc2Br)o1,0,0.0,
+O=C1c2cccnc2-c2ncccc21,0,0.0,
+O=C1c2cccnc2C(=O)N1C1CCCCC1,0,0.0,
+O=C1c2cccnc2C(=O)N1CO,1,100.0,0.0
+O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1,0,0.0,
+O=C1c2cccnc2C(=O)N1Cc1ccc2c(c1)OCO2,0,0.0,
+O=C1c2cccnc2C(=O)N1Cc1ccccc1,0,0.0,
+O=C1c2cccnc2C(=O)N1Cc1ccco1,0,0.0,
+O=C1c2cccnc2C(=O)N1Cc1cccs1,0,0.0,
+O=C1c2cccnc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1,0,0.0,
+O=C1c2cccnc2C(=O)N1c1ccccc1-c1ccccc1,0,0.0,
+O=C1c2cccnc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1Cc1ccccc1,0,0.0,
+O=C1c2cccnc2C(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1Cc1ccccc1,0,0.0,
+O=C1c2cccnc2C(O)N1C1CCCCC1,0,0.0,
+O=C1c2cccnc2C(O)N1Cc1ccc(F)cc1,0,0.0,
+O=C1c2cccnc2C(O)N1Cc1ccccc1,0,0.0,
+O=C1c2cccnc2C(O)N1Cc1ccco1,0,0.0,
+O=C1c2cccnc2C(O)N1Cc1cccs1,0,0.0,
+O=C1c2ccncc2C(=O)N1C1CCCCC1,0,0.0,
+O=C1c2ccncc2C(=O)N1CO,0,0.0,
+O=C1c2nc3ccccn3c2C(=O)N1Cc1ccccc1,0,0.0,
+O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(F)c2)N1CCO,0,0.0,
+O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccnc2)N1Cc1ccco1,0,0.0,
+O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Br)c2)N1CCO,0,0.0,
+O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccccn2)N1CCCN1CCOCC1,0,0.0,
+O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccnc2)N1Cc1ccco1,0,0.0,
+O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccco2)N1CCN1CCOCC1,0,0.0,
+O=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccc(F)cc2)N1CCCN1CCOCC1,0,0.0,
+O=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc(O)c2)N1CCCN1CCOCC1,0,0.0,
+O=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccccc2)N1CC1CCCO1,0,0.0,
+O=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccncc2)N1CCN1CCOCC1,0,0.0,
+O=C1c2oc3ccccc3c(=O)c2C(c2ccc(Br)cc2)N1c1ncccn1,0,0.0,
+O=C1c2oc3ccccc3c(=O)c2C(c2ccc(Cl)cc2)N1c1ncccn1,0,0.0,
+O=C1c2oc3ccccc3c(=O)c2C(c2cccc(Br)c2)N1Cc1ccco1,0,0.0,
+O=C1c2oc3ccccc3c(=O)c2C(c2cccc(F)c2)N1CCCO,0,0.0,
+O=C1c2oc3ccccc3c(=O)c2C(c2cccc(O)c2)N1CCCN1CCOCC1,0,0.0,
+O=C1c2oc3ccccc3c(=O)c2C(c2cccc(O)c2)N1c1ccccn1,0,0.0,
+O=C1c2oc3ccccc3c(=O)c2C(c2ccccn2)N1Cc1ccccc1,0,0.0,
+O=C1c2oc3ccccc3c(=O)c2C(c2cccnc2)N1CCCN1CCOCC1,0,0.0,
+O=C1c2oc3ccccc3c(=O)c2C(c2cccnc2)N1Cc1ccco1,0,0.0,
+O=C1c2oc3ccccc3c(=O)c2C(c2cccs2)N1CCCN1CCOCC1,0,0.0,
+O=C1c2sc3nc4c(c(=O)n3c2C(=O)N1c1ccccc1)CCC4,0,0.0,
+O=C1c2sc3nc4ccccc4n3c2C(=O)N1c1ccccc1Cl,0,0.0,
+O=CN(CCN(C=O)CN1CCCCC1)CN1CCCCC1,0,0.0,
+O=CN(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1,0,0.0,
+O=CN1CC(=O)N(c2ccccc2)c2c([nH]c3ccccc23)C1,0,0.0,
+O=CN1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1,0,0.0,
+O=CN1CCN(C(=O)c2ccccc2F)CC1,0,0.0,
+O=CN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1,0,0.0,
+O=CN1CCN(C2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1,0,0.0,
+O=CN1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1,0,0.0,
+O=CN1Cc2[nH]c3ccccc3c2N(c2ccc(Cl)cc2)C1=O,0,0.0,
+O=CNC(=O)c1ccccc1C(=O)O,0,0.0,
+O=CNC1CCCc2c1[nH]c1ccc(Cl)cc21,0,0.0,
+O=CNCC(=O)NC1CCCCCC1,0,0.0,
+O=CNCC(=O)NCCc1ccc(Cl)cc1,0,0.0,
+O=CNCCCc1nc2ccccc2n1Cc1ccccc1,0,0.0,
+O=CNc1ccccc1Oc1ccccc1,0,0.0,
+O=NC1=C(c2c(O)[nH]c3ccccc23)CCCC1,0,0.0,
+O=Nc1c2nc3ccccc3n(O)c-2c2ccccc12,0,0.0,
+O=P(/C(=N/O)N1CCCCC1)(N1CCOCC1)N1CCOCC1,0,0.0,
+O=P(/C(=N/O)N1CCOCC1)(N1CCOCC1)N1CCOCC1,0,0.0,
+O=P(/C(=N/O)Sc1ccccc1)(N1CCOCC1)N1CCOCC1,0,0.0,
+O=P(C(c1c[nH]c2ccccc12)N1CCOCC1)(N1CCOCC1)N1CCOCC1,0,0.0,
+O=P(C(c1ccc2c(c1)OCO2)N1CCOCC1)(N1CCOCC1)N1CCOCC1,0,0.0,
+O=P(C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)(N1CCOCC1)N1CCOCC1,0,0.0,
+O=P(CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)F,0,0.0,
+O=P(CCNCc1ccco1)(c1ccccc1)c1ccccc1,0,0.0,
+O=P(CN1CCN(c2ccccc2)CC1)(N1CCCCC1)N1CCCCC1,0,0.0,
+O=P(CO)(Cc1ccccc1)Cc1ccccc1,0,0.0,
+O=P(COCCO)(c1ccccc1)c1ccccc1,0,0.0,
+O=P(Cc1nnco1)(c1ccccc1)c1ccccc1,0,0.0,
+O=P(Nc1nccs1)(c1ccccc1)c1ccccc1,0,0.0,
+O=P(Nc1nccs1)(c1ccccc1)c1nc2ccccc2s1,0,0.0,
+O=P(O)(CCCCP(=O)(O)CCc1ccccc1)CCc1ccccc1,0,0.0,
+O=P(O)(CCCP(=O)(O)CCc1ccccc1)CCc1ccccc1,0,0.0,
+O=P(O)(CCc1ccccc1)CN1CCCCC1,0,0.0,
+O=P(O)(CCc1ccccn1)CN1CCCCC1,0,0.0,
+O=P(O)(CCc1ccccn1)CN1CCOCC1,0,0.0,
+O=P(O)(CCc1ccncc1)CN1CCCCC1,0,0.0,
+O=P(O)(CN1CCCCC1)C1CCCCC1O,0,0.0,
+O=P(O)(CN1CCCCC1)CN1CCCCC1,0,0.0,
+O=P(O)(CN1CCCCCC1)CN1CCCCCC1,0,0.0,
+O=P(O)(COc1ccccc1)COc1ccccc1,0,0.0,
+O=P(O)(CP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,0,0.0,
+O=P(O)(O)/C=C(\Cl)c1ccccc1,0,0.0,
+O=P(O)(O)C#Cc1ccccc1,0,0.0,
+O=P(O)(O)C(O)C(F)(F)C(F)(F)C(F)(F)C(F)F,0,0.0,
+O=P(O)(O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=P(O)(O)CCP(=O)(c1ccccc1)c1ccccc1,0,0.0,
+O=P(O)(O)COc1ccccc1O,0,0.0,
+O=P(O)(O)COc1ccccc1P(=O)(c1ccccc1)c1ccccc1,0,0.0,
+O=P(O)(O)CP(=O)(O)O,0,0.0,
+O=P(O)(O)Cc1ccccc1OP(=O)(c1ccccc1)c1ccccc1,0,0.0,
+O=P(O)(O)c1ccccc1OCCCCCOc1ccccc1P(=O)(O)O,0,0.0,
+O=P(O)(O)c1ccccc1OCCOCCOc1ccccc1P(=O)(O)O,0,0.0,
+O=P(O)(O)c1ccccc1OCc1ccccc1,0,0.0,
+O=P(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,0,0.0,
+O=P(O)(c1ccccc1)c1ccccc1O,0,0.0,
+O=P(OC1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1,0,0.0,
+O=P(OCC(F)(F)C(F)F)(N1CCCCC1)N1CCCCC1,0,0.0,
+O=P(OCC(F)(F)C(F)F)(N1CCOCC1)N1CCOCC1,0,0.0,
+O=P(c1ccc2c(c1)OCCO2)(N1CCOCC1)N1CCOCC1,0,0.0,
+O=P(c1ccccc1)(c1ccccc1)C(O)c1ccco1,0,0.0,
+O=P(c1ccccc1)(c1ccccc1)C(O)c1ccncc1,0,0.0,
+O=P(c1ccccc1)(c1ccccc1)C(c1ccco1)N1CCOCC1,0,0.0,
+O=P(c1ccccc1)(c1ccccc1)C1CCCO1,0,0.0,
+O=P(c1ccccc1)(c1ccccc1)N1CCCCC1,0,0.0,
+O=P(c1cccs1)(c1cccs1)c1cccs1,0,0.0,
+O=P1(NC2CCCC2)COc2ccccc2OC1,0,0.0,
+O=P1(Nc2ccc(Br)cn2)COc2ccccc2OC1,0,0.0,
+O=P1(Nc2ccc(F)cc2)COc2ccccc2OC1,0,0.0,
+O=P1(Nc2cccnc2)COc2ccccc2OC1,0,0.0,
+O=P1(Nc2nc3ccc(Cl)cc3s2)COc2ccccc2O1,0,0.0,
+O=P1(Nc2ncccn2)COc2ccccc2OC1,0,0.0,
+O=P1(Nn2cnnc2)C=C(c2ccccc2)OC(c2ccccc2)=C1,0,0.0,
+O=P1(O)C=C(c2ccccc2)NC(c2ccccc2)=C1,0,0.0,
+O=P1(O)C=C(c2ccccc2)OC(c2ccccc2)=C1,0,0.0,
+O=P1(c2ccccc2)C=Cn2c1cc1c2CCCC1,0,0.0,
+O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=S(=O)(/C=C/c1ccccc1)NCCc1ccccn1,0,0.0,
+O=S(=O)(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=S(=O)(/C=C/c1ccccc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=S(=O)(/C=C/c1ccccc1)n1cnc2ccccc21,0,0.0,
+O=S(=O)(/N=C(/Nc1cc(N2CCOCC2)ncn1)c1ccc(F)cc1)c1ccccc1,0,0.0,
+O=S(=O)(/N=C(/Nc1cc(N2CCOCC2)ncn1)c1ccccc1)c1ccccc1,0,0.0,
+O=S(=O)(/N=C(\c1ccccc1)N1CCOCC1)c1cccs1,0,0.0,
+O=S(=O)(/N=C/N1CCOCC1)c1ccc(Cl)cc1,0,0.0,
+O=S(=O)(/N=C/c1ccccc1O)c1cccs1,0,0.0,
+O=S(=O)(/N=S1/CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1,1,100.0,0.0
+O=S(=O)(C/C(=C/CO)S(=O)(=O)c1ccccc1)c1ccccc1,0,0.0,
+O=S(=O)(CC(CN1CCCC1)N1CCCC1)c1ccc2ccccc2c1,0,0.0,
+O=S(=O)(CC1CSc2ncnc3ncn1c23)c1ccc2ccccc2c1,0,0.0,
+O=S(=O)(CCCc1ccccc1)c1ncn[nH]1,0,0.0,
+O=S(=O)(CCN(CCS(=O)(=O)C(F)(F)F)CC1CCCO1)C(F)(F)F,0,0.0,
+O=S(=O)(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(F)(F)F,1,100.0,1.0
+O=S(=O)(CCOc1ccccc1)c1nc2ccccc2[nH]1,0,0.0,
+O=S(=O)(CCSc1ccccn1)c1nc2ccccc2s1,0,0.0,
+O=S(=O)(CCSc1nc2ccccc2o1)Cc1ccccc1,0,0.0,
+O=S(=O)(CCSc1nc2ccccc2o1)c1nc2ccccc2s1,0,0.0,
+O=S(=O)(CCc1ccccc1)/N=C/c1cccs1,0,0.0,
+O=S(=O)(CCc1nc2ccccc2o1)c1ccc(Cl)c(Cl)c1,0,0.0,
+O=S(=O)(CCc1nc2ccccc2o1)c1ccc(Cl)cc1,1,100.0,0.0
+O=S(=O)(CCc1nnc(-c2ccccc2)o1)c1ccc2ccccc2c1,0,0.0,
+O=S(=O)(CCn1cccc1)CCn1cccc1,1,100.0,
+O=S(=O)(Cc1ccc(Cl)cc1)N1CCCC1,0,0.0,
+O=S(=O)(Cc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=S(=O)(Cc1ccc(Cl)cc1)NCC1CCCO1,0,0.0,
+O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,0,0.0,
+O=S(=O)(Cc1cccc(F)c1)c1c[nH]c2ccccc12,0,0.0,
+O=S(=O)(Cc1ccccc1)/C1=C(\N2CCOCC2)CCCCCC1,0,0.0,
+O=S(=O)(Cc1ccccc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1,0,0.0,
+O=S(=O)(Cc1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1,0,0.0,
+O=S(=O)(Cc1ccccc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1,0,0.0,
+O=S(=O)(Cc1ccccc1)N1CCCC1,0,0.0,
+O=S(=O)(Cc1ccccc1)N1CCCCCC1,0,0.0,
+O=S(=O)(Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=S(=O)(Cc1ccccc1)N1CCN(C2Cc3ccccc3C2)CC1,0,0.0,
+O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=S(=O)(Cc1ccccc1)N1CCc2ccccc21,0,0.0,
+O=S(=O)(Cc1ccccc1)N1CCc2ccccc2C1,0,0.0,
+O=S(=O)(Cc1ccccc1)N1CCn2c(nc3ccccc32)C1,0,0.0,
+O=S(=O)(Cc1ccccc1)NCC1CCCO1,0,0.0,
+O=S(=O)(Cc1ccccc1)NCc1ccccn1,0,0.0,
+O=S(=O)(Cc1ccccc1)NCc1cccnc1,0,0.0,
+O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+O=S(=O)(Cc1ccccc1)Nn1cnnc1,0,0.0,
+O=S(=O)(Cc1ccccc1Cl)N1CCCCC1,0,0.0,
+O=S(=O)(Cc1ccccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=S(=O)(Cc1ccccc1Cl)Nc1ccccn1,0,0.0,
+O=S(=O)(N1CCCCC1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=S(=O)(N1CCCCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0.0,
+O=S(=O)(N1CCCCC1)N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=S(=O)(N1CCCCC1)n1c(Cc2ccccc2)nc2ccccc21,0,0.0,
+O=S(=O)(N1CCCCC1)n1nnc2ccccc21,0,0.0,
+O=S(=O)(N1CCCCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=S(=O)(N1CCOCC1)N1CCCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=S(=O)(N1CCOCC1)N1CCN(c2ccccc2F)CC1,0,0.0,
+O=S(=O)(N1CCOCC1)n1c(Cc2ccccc2)nc2ccccc21,0,0.0,
+O=S(=O)(N1CCOCC1)n1nnc2ccccc21,0,0.0,
+O=S(=O)(N=S(N1CCCCC1)N1CCCCC1)c1ccccc1,0,0.0,
+O=S(=O)(NC(=NC1CCCC1)C(F)(F)F)c1ccccc1,0,0.0,
+O=S(=O)(NC1=NCCC1)c1cccs1,0,0.0,
+O=S(=O)(NC1=NCCCCC1)c1cccs1,0,0.0,
+O=S(=O)(NC1=NCCCCCC1)c1cccs1,0,0.0,
+O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCC(c3nc(-c4cccnc4)no3)C2)cc1,0,0.0,
+O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1,0,0.0,
+O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,0,0.0,
+O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1,0,0.0,
+O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1,0,0.0,
+O=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=S(=O)(NC1CC2CCC1C2)c1ccc(Br)s1,0,0.0,
+O=S(=O)(NC1CC2CCC1C2)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NC1CCCC1)c1ccc(Br)s1,0,0.0,
+O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1,0,0.0,
+O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C2)cc1,0,0.0,
+O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1,0,0.0,
+O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)NC2CCCC2)cc1,0,0.0,
+O=S(=O)(NC1CCCC1)c1cccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)c1,0,0.0,
+O=S(=O)(NC1CCCC1)c1ccccc1Cl,0,0.0,
+O=S(=O)(NC1CCCCC1)c1ccc(Br)cc1,0,0.0,
+O=S(=O)(NC1CCCCC1)c1ccc(Cl)s1,0,0.0,
+O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1,0,0.0,
+O=S(=O)(NC1CCCCC1)c1cccc(-c2nnc(-c3ccccc3)o2)c1,0,0.0,
+O=S(=O)(NC1CCCCC1NCc1ccco1)c1ccc(Cl)cc1,0,0.0,
+O=S(=O)(NC1CCCCC1NCc1ccco1)c1ccccc1,0,0.0,
+O=S(=O)(NC1CCCCC1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1,0,0.0,
+O=S(=O)(NC1CCCCCC1)c1cccc2cccnc12,0,0.0,
+O=S(=O)(NC1CCCCCCC1)c1cccs1,0,0.0,
+O=S(=O)(NC1CCCc2ccccc21)c1cnc[nH]1,0,0.0,
+O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc2cccnc12,0,0.0,
+O=S(=O)(NC1CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=S(=O)(NC1c2cccc3cccc(c23)C1N1CCN(CCO)CC1)c1ccccc1,0,0.0,
+O=S(=O)(NC1c2cccc3cccc(c23)C1N1CCNCC1)c1ccccc1,0,0.0,
+O=S(=O)(NCC(O)COCc1ccco1)c1cccs1,0,0.0,
+O=S(=O)(NCC(c1ccccc1)N1CCNCC1)c1ccc(Cl)cc1,0,0.0,
+O=S(=O)(NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1ccccc1,0,0.0,
+O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cc(F)ccc1F,0,0.0,
+O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1,0,0.0,
+O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1,0,0.0,
+O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cccs1,0,0.0,
+O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1F,0,0.0,
+O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1cccs1,0,0.0,
+O=S(=O)(NCC(c1cccnc1)N1CCOCC1)c1cccs1,0,0.0,
+O=S(=O)(NCC1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=S(=O)(NCC1CCCO1)c1cc(Br)c(Br)s1,0,0.0,
+O=S(=O)(NCC1CCCO1)c1cc(Cl)ccc1Br,0,0.0,
+O=S(=O)(NCC1CCCO1)c1ccc(Br)s1,0,0.0,
+O=S(=O)(NCC1CCCO1)c1ccc(Cl)c(C(F)(F)F)c1,0,0.0,
+O=S(=O)(NCC1CCCO1)c1ccc(Oc2ccccc2)cc1,0,0.0,
+O=S(=O)(NCC1CCCO1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1,0,0.0,
+O=S(=O)(NCC1CCCO1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NCC1CCCO1)c1ccc2ccccc2c1,0,0.0,
+O=S(=O)(NCC1CCCO1)c1ccc2oc3ccc(S(=O)(=O)NCC4CCCO4)cc3c2c1,0,0.0,
+O=S(=O)(NCC1CCCO1)c1cccc(C(F)(F)F)c1,0,0.0,
+O=S(=O)(NCC1CCCO1)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=S(=O)(NCC1CCCO1)c1cccc2nsnc12,0,0.0,
+O=S(=O)(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1,0,0.0,
+O=S(=O)(NCC1OCCc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+O=S(=O)(NCCC1=CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=S(=O)(NCCC1=CCCCC1)c1cccc2nsnc12,0,0.0,
+O=S(=O)(NCCCCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1,0,0.0,
+O=S(=O)(NCCCCCNS(=O)(=O)c1ccccc1)c1ccccc1,0,0.0,
+O=S(=O)(NCCCN1CCN(c2ccccc2F)CC1)c1cccc2cccnc12,0,0.0,
+O=S(=O)(NCCCO)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCCCO)ccc1-2,0,0.0,
+O=S(=O)(NCCN1CCCC1)c1cccc2cccnc12,0,0.0,
+O=S(=O)(NCCNS(=O)(=O)c1cccs1)c1cccs1,0,0.0,
+O=S(=O)(NCCO)c1cccc2cccnc12,0,0.0,
+O=S(=O)(NCCOC12CC3CC(CC(C3)C1)C2)c1cccc2nsnc12,0,0.0,
+O=S(=O)(NCCOCC(F)(F)C(F)F)c1ccc2oc3ccccc3c2c1,0,0.0,
+O=S(=O)(NCCOCC(F)(F)F)c1ccc2oc3ccccc3c2c1,0,0.0,
+O=S(=O)(NCCOCCNS(=O)(=O)c1ccccc1)c1ccccc1,0,0.0,
+O=S(=O)(NCCOc1ccc(F)cc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NCCOc1cccc2cccnc12)c1ccc(F)cc1,0,0.0,
+O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NCCSc1ccccc1)c1ccc(F)cc1,0,0.0,
+O=S(=O)(NCCSc1ccccc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NCCSc1ccccc1)c1cccs1,0,0.0,
+O=S(=O)(NCCSc1nc2ccccc2o1)c1ccccc1,0,0.0,
+O=S(=O)(NCCSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1,0,0.0,
+O=S(=O)(NCCSc1nnnn1-c1ccccc1)c1cccs1,0,0.0,
+O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1cccs1,0,0.0,
+O=S(=O)(NCCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=S(=O)(NCCc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=S(=O)(NCCc1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=S(=O)(NCCc1ccccn1)c1ccc(F)c(F)c1,0,0.0,
+O=S(=O)(NCCc1ccccn1)c1cccs1,0,0.0,
+O=S(=O)(NCCc1ccncc1)c1cc(Br)ccc1F,0,0.0,
+O=S(=O)(NCCc1ccncc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0.0,
+O=S(=O)(NCCc1cn2ccccc2n1)c1ccc(F)c(C(F)(F)F)c1,0,0.0,
+O=S(=O)(NCCc1cn2ccccc2n1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NCCc1cn2ccccc2n1)c1cccs1,0,0.0,
+O=S(=O)(NCCc1csc(-c2ccccc2)n1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc(Cl)s1,0,0.0,
+O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1cccs1,0,0.0,
+O=S(=O)(NCc1ccc(Cl)cc1)c1cnc[nH]1,0,0.0,
+O=S(=O)(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc2cccnc12,0,0.0,
+O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc2nsnc12,0,0.0,
+O=S(=O)(NCc1ccc2c(c1)OCO2)c1cnc[nH]1,0,0.0,
+O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1,0,0.0,
+O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=S(=O)(NCc1ccccc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NCc1ccccc1)c1cccc2nonc12,0,0.0,
+O=S(=O)(NCc1ccccc1)c1cnc[nH]1,0,0.0,
+O=S(=O)(NCc1ccccc1Br)c1cccs1,0,0.0,
+O=S(=O)(NCc1ccccc1Cl)c1cnc[nH]1,0,0.0,
+O=S(=O)(NCc1ccccn1)c1ccc(Br)s1,0,0.0,
+O=S(=O)(NCc1ccccn1)c1ccc(F)cc1,0,0.0,
+O=S(=O)(NCc1ccccn1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NCc1ccccn1)c1cccc2nsnc12,0,0.0,
+O=S(=O)(NCc1cccnc1)c1cc(Cl)ccc1Cl,0,0.0,
+O=S(=O)(NCc1cccnc1)c1ccc(Br)s1,0,0.0,
+O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1,0,0.0,
+O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl,0,0.0,
+O=S(=O)(NCc1cccnc1)c1cccc2cccnc12,0,0.0,
+O=S(=O)(NCc1cccnc1)c1cccc2nsnc12,0,0.0,
+O=S(=O)(NCc1cccnc1)c1cccs1,0,0.0,
+O=S(=O)(NCc1ccco1)N1CCCCCC1,0,0.0,
+O=S(=O)(NCc1ccco1)N1CCOCC1,0,0.0,
+O=S(=O)(NCc1ccco1)c1ccc2c(c1)Cc1ccccc1-2,0,0.0,
+O=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+O=S(=O)(NCc1ccco1)c1cccc2cccnc12,0,0.0,
+O=S(=O)(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=S(=O)(NCc1cccs1)c1cccc2cccnc12,0,0.0,
+O=S(=O)(NCc1ccncc1)c1ccc(Br)s1,0,0.0,
+O=S(=O)(NCc1ccncc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,0,0.0,
+O=S(=O)(NCc1cn2ccccc2n1)c1cc(F)ccc1F,0,0.0,
+O=S(=O)(NCc1cn2ccsc2n1)c1ccc(Oc2ccccc2)cc1,0,0.0,
+O=S(=O)(NCc1cn2ccsc2n1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NCc1cn2ccsc2n1)c1cccs1,0,0.0,
+O=S(=O)(NCc1csc(-c2ccccc2)n1)c1ccc(Cl)s1,0,0.0,
+O=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(NCc1csc(-c2cccnc2)n1)c1cccs1,0,0.0,
+O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccs1,0,0.0,
+O=S(=O)(Nc1cc(Cl)ccc1N1CCCCC1)c1cccs1,0,0.0,
+O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1,0,0.0,
+O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccs1,0,0.0,
+O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cnc[nH]1,0,0.0,
+O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)N1CCCC1,0,0.0,
+O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc[nH]1,0,0.0,
+O=S(=O)(Nc1ccc(F)cc1)N1CCCCCC1,0,0.0,
+O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cccc2cccnc12,0,0.0,
+O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cccs1,0,0.0,
+O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccs1,0,0.0,
+O=S(=O)(Nc1ccc(N2CCOCC2)nn1)c1ccccc1,0,0.0,
+O=S(=O)(Nc1ccc(O)c(CN2CCCCC2)c1)c1ccccc1,0,0.0,
+O=S(=O)(Nc1ccc(O)cc1)c1cccc2cccnc12,0,0.0,
+O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)s1,0,0.0,
+O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1,0,0.0,
+O=S(=O)(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)CCC2)c1cccs1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(Br)s1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2oc3ccccc3c2c1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc2cccnc12,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc2nsnc12,1,100.0,1.0
+O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccs1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cnc[nH]1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Br)s1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)OCO2)c1cccs1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccc(F)cc1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccccc1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)nc1n2CCOC1)c1ccc(Cl)cc1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)nc1n2CCOC1)c1ccccc1,0,0.0,
+O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)N1CCCC1,0,0.0,
+O=S(=O)(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccccc1,0,0.0,
+O=S(=O)(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1,0,0.0,
+O=S(=O)(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1,0,0.0,
+O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1,0,0.0,
+O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(F)cc1,0,0.0,
+O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccnc1,0,0.0,
+O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cnc[nH]1,0,0.0,
+O=S(=O)(Nc1cccc2ccccc12)N1CCCC1,0,0.0,
+O=S(=O)(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=S(=O)(Nc1cccc2cn[nH]c12)c1ccc(F)cc1,0,0.0,
+O=S(=O)(Nc1cccc2ncccc12)c1cccs1,0,0.0,
+O=S(=O)(Nc1ccccc1Cl)c1ccc(F)cc1,0,0.0,
+O=S(=O)(Nc1ccccc1F)c1ccc2nsnc2c1,0,0.0,
+O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(Cl)s1,0,0.0,
+O=S(=O)(Nc1ccccn1)c1ccc(Cl)cc1,0,0.0,
+O=S(=O)(Nc1ccccn1)c1ccc(Oc2ccccc2)cc1,0,0.0,
+O=S(=O)(Nc1cccnc1)c1cc(Cl)ccc1Cl,0,0.0,
+O=S(=O)(Nc1cccnc1)c1ccc(C2CCCCC2)cc1,1,100.0,
+O=S(=O)(Nc1cccnc1)c1ccc(Cl)c(C(F)(F)F)c1,0,0.0,
+O=S(=O)(Nc1cccnc1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(Nc1cccnc1)c1cccc(C(F)(F)F)c1,0,0.0,
+O=S(=O)(Nc1cccnc1)c1cccs1,1,100.0,
+O=S(=O)(Nc1ccn(-c2ccccc2)n1)c1ccc(Br)cc1,0,0.0,
+O=S(=O)(Nc1ccncc1)c1ccccc1,0,0.0,
+O=S(=O)(Nc1cnc2ccccc2c1)N1CCCCCC1,0,0.0,
+O=S(=O)(Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)c1cc(F)ccc1F,0,0.0,
+O=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1,1,100.0,1.0
+O=S(=O)(Nc1nc2ccccc2[nH]1)c1ccccc1,1,100.0,1.0
+O=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1,0,0.0,
+O=S(=O)(Nc1nc2ccccc2nc1NCC1CCCO1)c1cccs1,0,0.0,
+O=S(=O)(Nc1nc2ccccc2nc1NCCN1CCOCC1)c1cccc(Cl)c1,0,0.0,
+O=S(=O)(Nc1nc2ccccc2nc1NCCO)c1cccc(Cl)c1,0,0.0,
+O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccc(Cl)cc1,0,0.0,
+O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccccc1,0,0.0,
+O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1cccs1,0,0.0,
+O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2c(c1)OCCO2)c1cccs1,0,0.0,
+O=S(=O)(Nc1nc2ccccc2s1)c1ccc(Br)s1,0,0.0,
+O=S(=O)(Nc1ncccc1O)c1ccc(Cl)cc1,0,0.0,
+O=S(=O)(Nc1ncccn1)c1ccc(Nc2ncnc3ccccc23)cc1,0,0.0,
+O=S(=O)(Nc1nccs1)c1cc(Cl)ccc1Cl,0,0.0,
+O=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1,0,0.0,
+O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCO2,0,0.0,
+O=S(=O)(Nc1ncn[nH]1)c1ccc2ccccc2c1,0,0.0,
+O=S(=O)(Nc1ncnc2c1oc1ccccc12)c1ccc(Cl)s1,0,0.0,
+O=S(=O)(Nc1ncnc2sc3c(c12)CCC3)c1ccc(Cl)s1,0,0.0,
+O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1,0,0.0,
+O=S(=O)(Nn1cnnc1)c1ccccc1Cl,0,0.0,
+O=S(=O)(O)CCN1CCOCC1,0,0.0,
+O=S(=O)(O)c1nc2ccccc2n1CCOc1ccccc1,0,0.0,
+O=S(=O)(O)c1nc2ccccc2n1Cc1ccc(Cl)cc1,0,0.0,
+O=S(=O)(O)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl,0,0.0,
+O=S(=O)(O)c1nnc2sc3ccccc3n12,0,0.0,
+O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCCCCC1,0,0.0,
+O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(CC(O)COCC2CCCO2)CC1,0,0.0,
+O=S(=O)(c1cc(Cl)ccc1Br)N1CCCCC1,0,0.0,
+O=S(=O)(c1cc(Cl)ccc1Br)N1CCOCC1,0,0.0,
+O=S(=O)(c1cc(Cl)ccc1Cl)N1CCCCC1,0,0.0,
+O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=S(=O)(c1cc(Cl)ccc1Cl)n1nnc2ccccc21,0,0.0,
+O=S(=O)(c1cc(F)cc(F)c1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(-c2cn3ccccc3n2)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCC1,0,0.0,
+O=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCCC1,0,0.0,
+O=S(=O)(c1ccc(-c2nnc(SCc3ccccc3)o2)cc1)N1CCCC1,0,0.0,
+O=S(=O)(c1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1)N1CCCC1,0,0.0,
+O=S(=O)(c1ccc(-n2cnnn2)cc1)N(C1CCCCC1)C1CCCCC1,0,0.0,
+O=S(=O)(c1ccc(Br)c2nsnc12)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(Br)cc1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1,0,0.0,
+O=S(=O)(c1ccc(Br)cc1)N1CCn2c(nc3ccccc32)C1,0,0.0,
+O=S(=O)(c1ccc(Br)s1)N1CCCCC1,0,0.0,
+O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccc2)CC1,0,0.0,
+O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=S(=O)(c1ccc(Br)s1)N1CCc2ccccc2C1,0,0.0,
+O=S(=O)(c1ccc(Br)s1)n1cccn1,0,0.0,
+O=S(=O)(c1ccc(C2=CSC3=NCCN23)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(CC(O)COCC2CCCO2)CC1,0,0.0,
+O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCc2nc3ccccc3n2CC1,0,0.0,
+O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC(c2nc(-c3ccncc3)no2)CC1,0,0.0,
+O=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCCCCC2)CC1,1,100.0,0.0
+O=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCCCCC2)CC1,0,0.0,
+O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0.0,
+O=S(=O)(c1ccc(Cl)cc1)N1CCSC1c1ccco1,0,0.0,
+O=S(=O)(c1ccc(Cl)cc1)N1CN2CCN(C2)C1,0,0.0,
+O=S(=O)(c1ccc(Cl)cc1)c1ccccn1,0,0.0,
+O=S(=O)(c1ccc(Cl)cc1Br)N1CCCCC1,0,0.0,
+O=S(=O)(c1ccc(Cl)s1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC1,0,0.0,
+O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=S(=O)(c1ccc(F)c2ccccc12)N1CCCCC1,0,0.0,
+O=S(=O)(c1ccc(F)cc1)N(CCO)CC(O)Cn1c2ccccc2c2ccccc21,0,0.0,
+O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCCC2)CC1,0,0.0,
+O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1,0,0.0,
+O=S(=O)(c1ccc(F)cc1)N1CCC(O)(c2ccc3c(c2)OCO3)CC1,0,0.0,
+O=S(=O)(c1ccc(F)cc1)N1CCCC(CO)C1,0,0.0,
+O=S(=O)(c1ccc(F)cc1)N1CCN(CC(O)COCc2cccs2)CC1,0,0.0,
+O=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,0,0.0,
+O=S(=O)(c1ccc(F)cc1)N1CN(Cc2ccco2)c2nc3ccccc3nc21,0,0.0,
+O=S(=O)(c1ccc(N2CC=C(c3ccccc3)CC2)nc1)N1CCCC1,0,0.0,
+O=S(=O)(c1ccc(N2CCCC2)cc1)C(F)(F)F,0,0.0,
+O=S(=O)(c1ccc(N2CCCC2c2nc3ccccc3s2)nc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1)N1CCCC1,0,0.0,
+O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N1CCCC1,0,0.0,
+O=S(=O)(c1ccc(N2CCOCC2)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(NC2CCCCC2)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(NC2CCCc3ccccc32)nc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(NCC2CCCCC2)nc1)N1CCOCC1,1,100.0,1.0
+O=S(=O)(c1ccc(NCCc2c[nH]c3ccccc23)nc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(Nc2ccc3c(c2)OCO3)nc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)cc1)N1CCOCC1,1,100.0,0.0
+O=S(=O)(c1ccc(OCC(O)CN2CCN(c3ccc(F)cc3)CC2)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(OCC(O)CN2CCN(c3ccccc3Cl)CC2)cc1)N1CCOCC1,1,100.0,1.0
+O=S(=O)(c1ccc(OCC(O)CN2CCN(c3ccccc3O)CC2)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(OCC(O)CN2CCc3ccccc3C2)cc1)N1CCOCC1,1,100.0,1.0
+O=S(=O)(c1ccc(OCC(O)CNCc2ccco2)c(Cl)c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(OCc2nc3ccccc3s2)c(Cl)c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(Oc2ccc(-c3nnco3)cc2)nc1)N1CCC(Cc2ccccc2)CC1,0,0.0,
+O=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(Oc2ccc(Br)cc2F)nc1)N1CCCCC1,0,0.0,
+O=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1)N1CCCC1,0,0.0,
+O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCC2)cc1)N1CCCC1,0,0.0,
+O=S(=O)(c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc1)N1CCCC1,0,0.0,
+O=S(=O)(c1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1)N1CCCCC1,0,0.0,
+O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1,0,0.0,
+O=S(=O)(c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1)N1CCCCC1,0,0.0,
+O=S(=O)(c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C2)cc1)N1CCCCCC1,0,0.0,
+O=S(=O)(c1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1)N1CCCC1,0,0.0,
+O=S(=O)(c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1)N1CCCCCC1,0,0.0,
+O=S(=O)(c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1)N1CCCC1,0,0.0,
+O=S(=O)(c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1)N1CCCCCC1,0,0.0,
+O=S(=O)(c1ccc(Sc2nnc3ccccn23)nc1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N3CCCCC3)ccc1-2)N1CCCCC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCNCC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccc(F)cc1)Cc1nnc(-c2cccs2)o1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(O)(c2ccc(Cl)cc2)CC1,1,100.0,1.0
+O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc3ccccc3[nH]2)CC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc3ccccc3s2)CC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(n2cnc3cc(F)ccc32)CC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(n2nnc3cc(F)ccc32)CC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2nc3ccccc3s2)CC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2nnnn2-c2ccccc2)CC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)nc(COc1ccc(Cl)cc1)n2CC1CCCO1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)nc1n2CCC1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc2c(c1)oc1ccccc12)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc2ccccc2c1)N(CC(O)CN1CCOCC1)c1ccccc1,0,0.0,
+O=S(=O)(c1ccc2ccccc2c1)N1CCCCC1,0,0.0,
+O=S(=O)(c1ccc2ccccc2c1)N1CCCOC1,0,0.0,
+O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0.0,
+O=S(=O)(c1ccc2ccccc2c1)n1cnc2ccccc21,0,0.0,
+O=S(=O)(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc2nc(COc3ccc(Cl)cc3Cl)[nH]c2c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc2nc(COc3ccccc3)[nH]c2c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc2nc(Cc3cccc(C(F)(F)F)c3)[nH]c2c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc2nc(Cc3ccccc3)[nH]c2c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc2oc(-c3ccncc3)nc2c1)c1ccc2oc(-c3ccncc3)nc2c1,0,0.0,
+O=S(=O)(c1ccc2oc(SCc3cn4ccsc4n3)nc2c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccc2oc3ccc(S(=O)(=O)N4CCCC4)cc3c2c1)N1CCCC1,0,0.0,
+O=S(=O)(c1cccc(-c2cn3cc(Cl)ccc3n2)c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1cccc(-c2cn3cccnc3n2)c1)N1CCCCCC1,0,0.0,
+O=S(=O)(c1cccc(-c2cn3cccnc3n2)c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1cccc(-c2csc(-c3ccccc3)n2)c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1cccc(-c2csc(-c3cccnc3)n2)c1)N1CCCCC1,0,0.0,
+O=S(=O)(c1cccc(-c2nc3ccccc3s2)c1)N1CCCC1,0,0.0,
+O=S(=O)(c1cccc(-c2nc3n(n2)Cc2ccccc2-3)c1)N1CCCC1,0,0.0,
+O=S(=O)(c1cccc(-c2nn3c(-c4ccncc4)nnc3s2)c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1cccc(-c2nnc(-c3ccc(Br)cc3)o2)c1)N1CCCCCC1,0,0.0,
+O=S(=O)(c1cccc(-c2nnc(SC(F)F)n2-c2ccccc2)c1)N1CCCCC1,0,0.0,
+O=S(=O)(c1cccc(-c2nnc(SCc3ccc(Cl)cc3)o2)c1)N1CCCCC1,0,0.0,
+O=S(=O)(c1cccc(-c2nnc(SCc3nc4ccccc4s3)o2)c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1cccc(-c2nnco2)c1)N1CCCC1,0,0.0,
+O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1cccc(C(F)(F)F)c1)N(CCCN1CCOCC1)Cc1cccs1,0,0.0,
+O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(O)(c2cccnc2)CC1,0,0.0,
+O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nnnn2-c2ccccc2)CC1,0,0.0,
+O=S(=O)(c1cccc(Cl)c1)N1CCCC1,0,0.0,
+O=S(=O)(c1cccc(Cl)c1Cl)N1CCCCC1,0,0.0,
+O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=S(=O)(c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1cccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1cccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)c1)N1CCCCC1,0,0.0,
+O=S(=O)(c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1,0,0.0,
+O=S(=O)(c1cccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1)N1CCOCC1,0,0.0,
+O=S(=O)(c1cccc2c(S(=O)(=O)N3CCCC3)cccc12)N1CCCC1,0,0.0,
+O=S(=O)(c1cccc2ccccc12)N1CCSC1,0,0.0,
+O=S(=O)(c1cccc2cccnc12)N(CCO)CCO,0,0.0,
+O=S(=O)(c1cccc2cccnc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+O=S(=O)(c1cccc2cccnc12)N1CCOCC1,0,0.0,
+O=S(=O)(c1cccc2cccnc12)N1CCc2ccccc21,0,0.0,
+O=S(=O)(c1cccc2cccnc12)n1cnc2ccccc21,0,0.0,
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,0,0.0,
+O=S(=O)(c1cccc2nsnc12)N1CCCC1,0,0.0,
+O=S(=O)(c1cccc2nsnc12)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=S(=O)(c1cccc2nsnc12)N1CCN(c2ncccn2)CC1,0,0.0,
+O=S(=O)(c1cccc2nsnc12)N1CCOCC1,0,0.0,
+O=S(=O)(c1cccc2nsnc12)N1CCc2ccccc21,0,0.0,
+O=S(=O)(c1cccc2nsnc12)N1CCc2ccccc2C1,0,0.0,
+O=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CCCC1,0,0.0,
+O=S(=O)(c1ccccc1)N(C1=NCCS1)S(=O)(=O)c1ccccc1,0,0.0,
+O=S(=O)(c1ccccc1)N(CC(O)CN1CCCCC1)c1ccccc1,0,0.0,
+O=S(=O)(c1ccccc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1,0,0.0,
+O=S(=O)(c1ccccc1)N1C2CCC1CC(O)(c1cccnc1)C2,0,0.0,
+O=S(=O)(c1ccccc1)N1CCC(N2CCCCCC2)CC1,0,0.0,
+O=S(=O)(c1ccccc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1,0,0.0,
+O=S(=O)(c1ccccc1)N1CCN(C2CCCCCCC2)CC1,0,0.0,
+O=S(=O)(c1ccccc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1,1,100.0,1.0
+O=S(=O)(c1ccccc1)N1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1,0,0.0,
+O=S(=O)(c1ccccc1)N1CCN(Cc2cccc(Cl)c2)CC1,0,0.0,
+O=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1,0,0.0,
+O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)C1,0,0.0,
+O=S(=O)(c1ccccc1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1,0,0.0,
+O=S(=O)(c1ccccc1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1,0,0.0,
+O=S(=O)(c1ccccc1)N1CCN(c2nnnn2-c2ccccc2)CC1,0,0.0,
+O=S(=O)(c1ccccc1)N1CCSC1c1ccco1,0,0.0,
+O=S(=O)(c1ccccc1)N1CN2CCN(C2)C1,0,0.0,
+O=S(=O)(c1ccccc1)c1ccc(N2CCOCC2)cc1,1,100.0,0.0
+O=S(=O)(c1ccccc1)c1ccc(NCc2ccco2)cc1,0,0.0,
+O=S(=O)(c1ccccc1)c1ccccc1/C=N\O,0,0.0,
+O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1NCc1cccnc1,0,0.0,
+O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1N1CCCCCC1,0,0.0,
+O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1N1CCOCC1,0,0.0,
+O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCCCN1CCOCC1,0,0.0,
+O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCCCn1ccnc1,0,0.0,
+O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1cccnc1,0,0.0,
+O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1ccco1,0,0.0,
+O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NCC1CCCO1,0,0.0,
+O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NCCCn1ccnc1,0,0.0,
+O=S(=O)(c1ccccc1)c1nc(Nc2ccccc2N2CCOCC2)sc1Cl,0,0.0,
+O=S(=O)(c1ccccc1)n1ccc2ccccc21,0,0.0,
+O=S(=O)(c1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1,0,0.0,
+O=S(=O)(c1ccccc1C(F)(F)F)N1CCOCC1,0,0.0,
+O=S(=O)(c1ccccc1Cl)N1CCC(O)(c2ccc3c(c2)OCO3)CC1,0,0.0,
+O=S(=O)(c1ccccc1Cl)N1CCCC(c2nc(-c3cccnc3)no2)C1,0,0.0,
+O=S(=O)(c1ccccc1F)N(Cc1ccco1)Cc1nnc(-c2ccccc2Br)o1,0,0.0,
+O=S(=O)(c1ccccc1S(=O)(=O)N1CCCCC1)N1CCCCC1,0,0.0,
+O=S(=O)(c1cccs1)N1CCC(Cc2ccccc2)CC1,0,0.0,
+O=S(=O)(c1cccs1)N1CCCc2ccccc21,0,0.0,
+O=S(=O)(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+O=S(=O)(c1cccs1)N1CCN(CC(O)COC2CCCc3ccccc32)CC1,0,0.0,
+O=S(=O)(c1cccs1)N1CCN(CC(O)COc2cc(Cl)ccc2Cl)CC1,0,0.0,
+O=S(=O)(c1cccs1)N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=S(=O)(c1cccs1)N1CCN(Cc2nc3ccccc3s2)CC1,0,0.0,
+O=S(=O)(c1cccs1)N1CCN(c2ccccn2)CC1,0,0.0,
+O=S(=O)(c1cccs1)N1CCN(c2ncccn2)CC1,0,0.0,
+O=S(=O)(c1cccs1)N1CCc2ccccc21,0,0.0,
+O=S(=O)(c1cccs1)N1CCc2ccccc2C1,0,0.0,
+O=S(=O)(c1cccs1)N1CN(CC2CCCO2)c2nc3ccccc3nc21,0,0.0,
+O=S(=O)(c1cccs1)N1CN(Cc2cccs2)c2nc3ccccc3nc21,0,0.0,
+O=S(=O)(c1cccs1)n1cccn1,0,0.0,
+O=S(=O)(c1cccs1)n1cnc2ccccc21,0,0.0,
+O=S(=O)(c1cccs1)n1nnc2ccccc21,0,0.0,
+O=S(=O)(c1cnc[nH]1)N1CCCCCC1,0,0.0,
+O=S(=O)(c1cnc[nH]1)N1CCc2ccccc21,0,0.0,
+[O-][S+](CC(O)COCc1ccc(Cl)cc1)c1ccccn1,0,0.0,
+[O-][S+](CCc1ccncc1)Cc1ccccc1,0,0.0,
+[O-][S+](Cc1ccc(Cl)cc1)CC(O)COCc1ccc(Cl)cc1,0,0.0,
+[O-][S+](Cc1ccc(Cl)cc1)CC(O)COc1ccc(Cl)cc1,0,0.0,
+[O-][S+](N1CCCCCC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+[O-][S+](NC1CCCCC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+[O-][S+](NCc1ccccc1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+[O-][S+](NCc1ccco1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+[O-][S+](c1ccsc1)c1ccsc1,0,0.0,
+O=S1(=O)C=C(N2CCCCC2)c2ccccc21,0,0.0,
+O=S1(=O)C=C(N2CCOCC2)c2ccccc21,0,0.0,
+O=S1(=O)C=C(Oc2ccc(F)cc2)c2ccccc21,0,0.0,
+O=S1(=O)C=C(SCCN2CCCCC2)c2ccccc21,0,0.0,
+O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21,0,0.0,
+O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc21,0,0.0,
+O=S1(=O)C=C(Sc2nnc(-c3ccccc3)o2)c2ccccc21,0,0.0,
+O=S1(=O)C=CC(N2CCOCC2)C1,0,0.0,
+O=S1(=O)C=CC(Nc2cccc(Cl)c2)C1,0,0.0,
+O=S1(=O)C=CC(Sc2nc3ccccc3[nH]2)C1,0,0.0,
+O=S1(=O)CC(N2CCCCC2)C(N2CCCCC2)C1,0,0.0,
+O=S1(=O)CC(N2CCOCC2)c2ccccc21,0,0.0,
+O=S1(=O)CC(NCc2ccccc2)C(Nc2ccc(Cl)cc2)C1,0,0.0,
+O=S1(=O)CC(NCc2ccccc2)C(Nc2ccccc2)C1,0,0.0,
+O=S1(=O)CC(O)C(N2CCC(c3ccccc3)CC2)C1,0,0.0,
+O=S1(=O)CC(O)C(NCCCO)C1,0,0.0,
+O=S1(=O)CC(O)C(NCc2cccnc2)C1,0,0.0,
+O=S1(=O)CC(O)C(NCc2ccco2)C1,0,0.0,
+O=S1(=O)CC(O)C(Nc2ccccc2Cl)C1,0,0.0,
+O=S1(=O)CC2(N3CCOCC3)CCCCC21,0,0.0,
+O=S1(=O)CC2(N3CCOCC3)CCCCCCC21,0,0.0,
+O=S1(=O)CC=C(CSc2nc3ccccc3[nH]2)C1,1,100.0,0.0
+O=S1(=O)CCC(N=Cc2cc(Br)ccc2O)C1,0,0.0,
+O=S1(=O)CCC(NCC2CCCO2)C1,0,0.0,
+O=S1(=O)CCC(NS(=O)(=O)/C=C/c2ccccc2)C1,0,0.0,
+O=S1(=O)CCC(NS(=O)(=O)c2cccc3cccnc23)C1,0,0.0,
+O=S1(=O)CCC(S(=O)(=O)N2CCCCCC2)C1,0,0.0,
+O=S1(=O)CCC(SCc2nc3sccn3c2Br)C1,0,0.0,
+O=S1(=O)CCN2C(=N1)SC1=C2CCN(Cc2ccccc2)C1,0,0.0,
+O=S1(=O)CCN2C(=N1)Sc1c2ccc2c1CCCC2,0,0.0,
+O=S1(=O)CCN2C(Cc3ccc(SC(F)F)cc3)=CSC2=N1,0,0.0,
+O=S1(=O)CCN2C(c3ccco3)=CSC2=N1,0,0.0,
+O=S1(=O)CCN2C=C(Br)C=C(Br)C2=N1,0,0.0,
+O=S1(=O)CCN2C=Nc3sc4c(c3C2=N1)CCCC4,0,0.0,
+O=S1(=O)CCN=C2SC3=C(CCCC3)N21,0,0.0,
+O=S1(=O)C[C@@H](N2CCOCC2)[C@H](N2CCOCC2)C1,0,0.0,
+O=S1(=O)N=C(N2CCCc3ccccc32)c2ccccc21,0,0.0,
+O=S1(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21,0,0.0,
+O=S1(=O)N=C(N2CCN(Cc3ccccc3)CC2)c2ccccc21,0,0.0,
+O=S1(=O)N=C(N2CCOCC2)c2ccccc21,0,0.0,
+O=S1(=O)N=C(N2CCc3ccccc3C2)c2ccccc21,1,100.0,1.0
+O=S1(=O)N=C(Nc2ccc(N3CCOCC3)cc2)c2ccccc21,0,0.0,
+O=S1(=O)N=C(Nc2ccc(O)c(CN3CCCCC3)c2)c2ccccc21,0,0.0,
+O=S1(=O)N=C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc21,0,0.0,
+O=S1(=O)N=C(Nc2nc3c(s2)CCCC3)c2ccccc21,0,0.0,
+O=S1(=O)N=C(Oc2ccccc2)c2ccccc21,0,0.0,
+O=S1(=O)N=C(SCCO)c2ccccc21,0,0.0,
+O=S1(=O)N=C2CCCCCN2C(c2ccncc2)N1,0,0.0,
+O=S1(=O)N=C2CCCN2C(c2ccc(Cl)cc2)N1,0,0.0,
+O=S1(=O)N=C2CCCN2C(c2ccc(F)cc2)N1,0,0.0,
+O=S1(=O)N=CN(Cc2cccc(F)c2)c2ccccc21,0,0.0,
+O=S1(=O)NC(=NC2CCCCCC2)c2ccccc21,0,0.0,
+O=S1(=O)NC(=NCc2ccccc2)c2ccccc21,0,0.0,
+O=S1(=O)NC2CCCCCN2c2ccc(F)cc21,0,0.0,
+O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc21,0,0.0,
+O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(-c2nnco2)cc1,0,0.0,
+O=S1(=O)c2cccc3cccc(c23)N1Cc1nnc(-c2ccccc2Br)o1,0,0.0,
+[O-][S+]1CCCSC1c1cccnc1,0,0.0,
+O=[N+]([O-])c1cccc2cn[nH]c12,0,0.0,
+O=[N+]1C2=C(CCCC2)N([O-])C12CCCC2,0,0.0,
+O=[N+]1C=C(c2cc3ccccc3o2)N([O-])C2CCCCC21,0,0.0,
+O=[N+]1C=C(c2ccc(-c3ccccc3)cc2)N([O-])C2CCCCC21,0,0.0,
+O=[N+]1C=C(c2ccc(Oc3ccccc3)cc2)N([O-])C2CCCCC21,0,0.0,
+O=[n+]1c2c(n([O-])c3c1CCC3)CCCC2,0,0.0,
+O=[n+]1c2c(n([O-])c3c1CCCC3)CCCC2,0,0.0,
+O=[n+]1c2c(n([O-])c3c1CCCC3)CCCCC2,0,0.0,
+O=[n+]1c2c(n([O-])c3cc(Br)ccc31)CCC2,0,0.0,
+O=[n+]1c2c(n([O-])c3cc(F)c(F)cc31)CCCC2,0,0.0,
+O=[n+]1c2c(n([O-])c3cc(F)c(N4CCCC4)cc31)CCC2,0,0.0,
+O=[n+]1c2c(n([O-])c3cc(F)c(N4CCCC4)cc31)CCCC2,0,0.0,
+O=[n+]1c2c(n([O-])c3cc(F)ccc31)CCCC2,0,0.0,
+O=[n+]1cc(-c2cc3ccccc3o2)n([O-])c2c1CCCC2,0,0.0,
+O=[n+]1cc(-c2ccc(F)cc2)n([O-])c2c1CCC2,0,0.0,
+O=[n+]1cc(-c2ccccc2)n([O-])c2c1CCC2,0,0.0,
+O=c1/c(=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)sc2n1CCN=2,0,0.0,
+O=c1/c(=C/c2cccc3ccccc23)sc2ncnn12,0,0.0,
+O=c1/c(=C/c2ccccn2)sc2n1CN(c1ccccc1)CN=2,0,0.0,
+O=c1/c(=C/c2ccccn2)sc2nc3ccccc3n12,0,0.0,
+O=c1/c(=C/c2ccco2)sc2nc(-c3ccccc3Br)nn12,0,0.0,
+O=c1/c(=C\c2ccc3c(c2)OCO3)sc2n1CCCN=2,0,0.0,
+O=c1/c(=C\c2cccn2-c2ccccc2)sc2nc3ccccc3n12,0,0.0,
+O=c1/c(=C\c2ccco2)sc2n1CCCN=2,1,100.0,0.0
+O=c1[nH][nH]c(=O)c2cc(N3CCCC3)ccc12,0,0.0,
+O=c1[nH][nH]c2nc(C(F)(F)F)cc(C(F)(F)F)c12,0,0.0,
+O=c1[nH]c(-c2ccc(Cl)cc2)nc2c1cnn2-c1ccccc1,0,0.0,
+O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH]1,0,0.0,
+O=c1[nH]c(-c2ccccc2O)nc2c1CCCC2,0,0.0,
+O=c1[nH]c(-c2ccccn2)nc2ccccc12,0,0.0,
+O=c1[nH]c(-c2cccnc2)nc2ccccc12,0,0.0,
+O=c1[nH]c(-c2cccs2)nc2ccccc12,0,0.0,
+O=c1[nH]c(-c2ccncc2)nc2ccccc12,0,0.0,
+O=c1[nH]c(/C(=N\O)c2ccccc2)no1,0,0.0,
+O=c1[nH]c(=O)n(-c2ccc(F)cc2)c(O)c1C=Nc1ccccc1N1CCCC1,0,0.0,
+O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1/C=N/c1ccccn1,0,0.0,
+O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C=NCCCN1CCOCC1,0,0.0,
+O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C=NCCN1CCCCC1,0,0.0,
+O=c1[nH]c(=O)n(-c2cccc3ccccc23)c(O)c1C=NCCCn1ccnc1,0,0.0,
+O=c1[nH]c(=O)n(C2CCCCC2)c(O)c1C1NCCc2ccccc21,0,0.0,
+O=c1[nH]c(=O)n(C2CCCCC2)c(O)c1C=NCCCn1ccnc1,0,0.0,
+O=c1[nH]c(=O)n(C2CCCCCC2)c(O)c1C=NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=c1[nH]c(=O)n(C2CCCCCC2)c(O)c1C=NCC1CCCO1,0,0.0,
+O=c1[nH]c(=O)n(C2CCCCCC2)c(O)c1C=NCCCN1CCOCC1,0,0.0,
+O=c1[nH]c(=O)n(C2CCCCCC2)c(O)c1C=NCc1ccc(F)cc1,0,0.0,
+O=c1[nH]c(=O)n(C2CCCO2)cc1Br,0,0.0,
+O=c1[nH]c(=O)n(CCC2=CCCCC2)c(O)c1C=NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=c1[nH]c(=O)n(CCC2=CCCCC2)c(O)c1C=NCCCn1ccnc1,0,0.0,
+O=c1[nH]c(=O)n(CCC2=CCCCC2)c(O)c1C=NCCN1CCNCC1,0,0.0,
+O=c1[nH]c(=O)n(CCC2=CCCCC2)c(O)c1C=NCc1cccnc1,0,0.0,
+O=c1[nH]c(=O)n(CCO)c2nnn(Cc3ccccc3)c12,1,100.0,0.0
+O=c1[nH]c(=O)n(CCOc2ccc(Cl)cc2)cc1Br,0,0.0,
+O=c1[nH]c(=O)n(CCc2ccc(F)cc2)c(O)c1C=NCCCN1CCOCC1,0,0.0,
+O=c1[nH]c(=O)n(CCc2ccc(F)cc2)c(O)c1C=NCCCn1ccnc1,0,0.0,
+O=c1[nH]c(=O)n(CCc2ccccc2)c(O)c1C=NCCCn1ccnc1,0,0.0,
+O=c1[nH]c(=O)n(CCc2ccccc2)c(O)c1C=NCCN1CCNCC1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1C=NCC1CCCO1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1C=NCCCN1CCOCC1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1C=NCCN1CCCCC1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1C=NCc1cccnc1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1C=NCCCO,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1C=NCCCn1ccnc1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1C=NCCN1CCNCC1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1C=NCCN1CCOCC1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1C=Nc1ccc(CN2CCOCC2)cc1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccccc2)c2c1CCC2,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccco2)c(O)c1C=NC1CC1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccco2)c(O)c1C=NCCCn1ccnc1,1,100.0,0.0
+O=c1[nH]c(=O)n(Cc2ccco2)c(O)c1C=NCCN1CCOCC1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccco2)c(O)c1C=NCc1ccc2c(c1)OCO2,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccco2)c(O)c1C=NCc1ccco1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccco2)c(O)c1C=NCc1cccs1,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccco2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(C1CCCCC1)N2,0,0.0,
+O=c1[nH]c(=O)n(Cc2ccco2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccco1)N2,0,0.0,
+O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F,0,0.0,
+O=c1[nH]c(=S)[nH]nc1Cc1ccccc1,0,0.0,
+O=c1[nH]c(=S)c2c(n1-c1ccccc1)CCC2,0,0.0,
+O=c1[nH]c(C(F)(F)F)nc2c1nnn2Cc1ccccc1F,0,0.0,
+O=c1[nH]c(C(F)(F)F)nc2ccccc12,0,0.0,
+O=c1[nH]c(C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2c1nnn2Cc1ccccc1,0,0.0,
+O=c1[nH]c(C2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccc(F)cc1,0,0.0,
+O=c1[nH]c(C2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccccc1,0,0.0,
+O=c1[nH]c(C2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccccc1F,0,0.0,
+O=c1[nH]c(CN(CCO)CCO)nc2c1C1(CCCCC1)Cc1ccccc1-2,0,0.0,
+O=c1[nH]c(CN2CCC(c3nc4ccccc4s3)CC2)nc2sc3c(c12)CCC3,0,0.0,
+O=c1[nH]c(CN2CCCCC2)nc2c1C1(CCCC1)Cc1ccccc1-2,0,0.0,
+O=c1[nH]c(CN2CCCCC2)nc2c1C1(CCCCC1)Cc1ccccc1-2,0,0.0,
+O=c1[nH]c(CN2CCN(C/C=C/c3ccccc3)CC2)nc2cc(Cl)ccc12,0,0.0,
+O=c1[nH]c(CN2CCN(C/C=C/c3ccccc3)CC2)nc2ccccc12,0,0.0,
+O=c1[nH]c(CN2CCN(CCO)CC2)nc2ccccc12,0,0.0,
+O=c1[nH]c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2ccccc12,0,0.0,
+O=c1[nH]c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2sc3c(c12)CCC3,0,0.0,
+O=c1[nH]c(CN2CCN(Cc3ccccc3)CC2)nc2sc3c(c12)CCC3,0,0.0,
+O=c1[nH]c(CN2CCN(c3ccccc3)CC2)nc2ccccc12,0,0.0,
+O=c1[nH]c(CN2CCN(c3ccccc3Cl)CC2)nc2ccsc12,0,0.0,
+O=c1[nH]c(CN2CCc3ccccc32)nc2scc(-c3cccs3)c12,0,0.0,
+O=c1[nH]c(CN2CCc3ccccc3C2)nc2ccccc12,0,0.0,
+O=c1[nH]c(CS(=O)(=O)c2ccccc2)nc2ccccc12,0,0.0,
+O=c1[nH]c(CSc2nc3ccccc3o2)nc2c1cnn2-c1ccccc1,0,0.0,
+O=c1[nH]c(CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)nc2ccccc12,0,0.0,
+O=c1[nH]c(CSc2nnc(-c3ccco3)n2-c2ccccc2)nc2sc3c(c12)CCC3,0,0.0,
+O=c1[nH]c(CSc2nnc(-c3ccncc3)n2Cc2ccco2)nc2ccccc12,0,0.0,
+O=c1[nH]c(CSc2nnc(COc3ccccc3)n2-c2ccccc2)nc2ccccc12,0,0.0,
+O=c1[nH]c(CSc2nnc(NCCCN3CCOCC3)s2)nc2cc(Cl)ccc12,0,0.0,
+O=c1[nH]c(Cc2ccccc2)nc2c1oc1ccccc12,0,0.0,
+O=c1[nH]c(Cc2cccs2)nc2ccccc12,0,0.0,
+O=c1[nH]c(Cn2nnc(-c3ccccc3)n2)nc2scc(-c3ccccc3)c12,0,0.0,
+O=c1[nH]c(N2CCCCC2)nc2c1CCCC2,0,0.0,
+O=c1[nH]c(N2CCOCC2)nc2c1CCCC2,0,0.0,
+O=c1[nH]c(N2CCOCC2)nc2ncn(Cc3ccccc3)c12,0,0.0,
+O=c1[nH]c(N2CCc3ccccc32)nc2c1CCCC2,0,0.0,
+O=c1[nH]c(N2CCc3ccccc3C2)nc2c1CCC2,0,0.0,
+O=c1[nH]c(N2CCc3ccccc3C2)nc2c1CCCC2,0,0.0,
+O=c1[nH]c(NC2CCCCC2)nnc1Cc1ccccc1,0,0.0,
+O=c1[nH]c(NCCCO)nc2c1C1(CCCC1)Cc1ccccc1-2,0,0.0,
+O=c1[nH]c(NCCO)nc2c1C1(CCCCC1)Cc1ccccc1-2,0,0.0,
+O=c1[nH]c(NCc2ccccc2)nc2c1CCC2,0,0.0,
+O=c1[nH]c(NCc2ccccc2)nc2c1CCCC2,0,0.0,
+O=c1[nH]c(NCc2ccco2)nnc1Cc1ccccc1Cl,0,0.0,
+O=c1[nH]c(Nc2ccccc2)cc2ccccc12,0,0.0,
+O=c1[nH]c(Nc2nc3ccccc3o2)nc2c1CCCC2,0,0.0,
+O=c1[nH]c(O)c(C=NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]1,0,0.0,
+O=c1[nH]c(SCC2CCCCO2)nc2ccccc12,0,0.0,
+O=c1[nH]c(SCCOc2ccccc2)nc2ccccc12,0,0.0,
+O=c1[nH]c(SCc2cc(=O)n3ccccc3n2)nc2c1CCC2,0,0.0,
+O=c1[nH]c(SCc2ccc(Cl)cc2)nc2c1CCC2,0,0.0,
+O=c1[nH]c(SCc2ccc(F)cc2)nc2c1cnn2-c1ccc(F)cc1,0,0.0,
+O=c1[nH]c(SCc2cccc(Cl)c2)nc2c1CCCC2,0,0.0,
+O=c1[nH]c(SCc2ccccc2Cl)nc2c1CCC2,0,0.0,
+O=c1[nH]c(SCc2ccccc2Cl)nc2c1CCCC2,0,0.0,
+O=c1[nH]c(SCc2ccccc2Cl)nc2c1cnn2-c1ccccc1,0,0.0,
+O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2ccccc12,0,0.0,
+O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2,0,0.0,
+O=c1[nH]c2c(c3c1CCCC3)CCCC2,0,0.0,
+O=c1[nH]c2c(cc1CNCCN1CCOCC1)c(-c1cccc(F)c1)nn2-c1ccccc1,0,0.0,
+O=c1[nH]c2c(n(C3CCCCC3)c1=O)CCC2,0,0.0,
+O=c1[nH]c2c(s1)C(c1ccccc1)C1C3CCC(C3)C1S2,0,0.0,
+O=c1[nH]c2c(s1)C(c1ccco1)C1C3CCC(C3)C1S2,0,0.0,
+O=c1[nH]c2c(s1)C=Nc1ccccc1N2,0,0.0,
+O=c1[nH]c2cc(Cl)cc(Cl)c2[nH]c1=O,0,0.0,
+O=c1[nH]c2cc(Cl)ccc2n1-c1ccccc1,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1C1CCCC1)N1CCCc2ccccc21)OCCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1C1CCCC1)N1CCSCC1)OCCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1C1CCCCC1)N1CCSCC1)OCCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1CC1CCCO1)N1CCCC1)OCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1CC1CCCO1)N1CCCCCC1)OCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1Cc1ccccc1)N1CCCc2ccccc21)OCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1Cc1ccccc1)N1CCN2CCCC2C1)OCCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1CN(CC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1)OCCO3,1,100.0,0.0
+O=c1[nH]c2cc3c(cc2cc1CN(CC1CCCO1)S(=O)(=O)c1ccccc1)OCCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1CN(CCCO)Cc1nnnn1Cc1ccc(F)cc1)OCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1CN(CCc1ccccc1)Cc1nnnn1C1CCCC1)OCCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)Cc1nnnn1Cc1ccco1)OCCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)Cc1nnnn1Cc1ccco1)OCCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1CC1CCCO1)C1CCCC1)OCO3,0,0.0,
+O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1CC1CCCO1)C1CCCCC1)OCO3,0,0.0,
+O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1CN1CCOCC1,0,0.0,
+O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1N1CCOCC1,0,0.0,
+O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCOCC1,0,0.0,
+O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCN(c2ccccn2)CC1,0,0.0,
+O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCOCC1,0,0.0,
+O=c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2[nH]1,0,0.0,
+O=c1[nH]c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)cc2[nH]c1=O,0,0.0,
+O=c1[nH]c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2[nH]c1=O,0,0.0,
+O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc2s1,0,0.0,
+O=c1[nH]c2ccc(S(=O)(=O)NCc3ccccn3)cc2s1,0,0.0,
+O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2o1,0,0.0,
+O=c1[nH]c2ccccc2c(=O)n1-c1cccc(Cl)c1,0,0.0,
+O=c1[nH]c2ccccc2c(=O)n1Cc1ccco1,0,0.0,
+O=c1[nH]c2ccccc2c2nc3ccccn3c12,0,0.0,
+O=c1[nH]c2ccccc2cc1-c1noc(-c2cccnc2)n1,0,0.0,
+O=c1[nH]c2ccccc2n1C1=CCCC1,0,0.0,
+O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0,0.0,
+O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,0,0.0,
+O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+O=c1[nH]c2ccccc2n1CCCOc1ccccc1,0,0.0,
+O=c1[nH]c2ccccc2n1CCCSCCCn1c(=O)[nH]c2ccccc21,0,0.0,
+O=c1[nH]c2ccccc2n1CCCSc1cnc2ccccc2n1,0,0.0,
+O=c1[nH]c2ccccc2n1Cc1ccc(F)cc1,0,0.0,
+O=c1[nH]c2ccccc2nc1-c1cccs1,0,0.0,
+O=c1[nH]c2ccccc2nc1C(F)(F)C(F)F,0,0.0,
+O=c1[nH]c2ccccc2nc1Cc1ccccc1,0,0.0,
+O=c1[nH]c2ccccc2nc1NCCN1CCOCC1,0,0.0,
+O=c1[nH]c2cccnc2n1Cc1ccco1,0,0.0,
+O=c1[nH]c2ccsc2c(=O)n1-c1ccc(F)c(Cl)c1,0,0.0,
+O=c1[nH]c2ccsc2c(=O)n1-c1ccc(F)cc1,0,0.0,
+O=c1[nH]c2cnccc2n1-c1ccccc1,0,0.0,
+O=c1[nH]c2sc3c(c2c(=O)n1Cc1ccccc1)CCC3,0,0.0,
+O=c1[nH]c2sc3c(c2c2nncn12)CCCC3,0,0.0,
+O=c1[nH]cc(COCc2ccccc2)c(=O)[nH]1,0,0.0,
+O=c1[nH]cnc2c1C1(CCCC1)Cc1ccccc1-2,0,0.0,
+O=c1[nH]cnc2c1N1CCC2CC1,0,0.0,
+O=c1[nH]cnc2c1cnn2Cc1ccccc1,0,0.0,
+O=c1[nH]cnc2c1nc(SCc1ccccc1)n2C1OC(CO)C(O)C1O,0,0.0,
+O=c1[nH]cnc2c1oc1ccccc12,0,0.0,
+O=c1[nH]cnc2cc(-c3ccccc3)sc12,0,0.0,
+O=c1[nH]cnc2cc(Cl)ccc12,0,0.0,
+O=c1[nH]cnc2nc(-c3ccccc3)c(-c3ccccc3)nc12,0,0.0,
+O=c1[nH]cnc2nc3n(c12)CCCCC3,0,0.0,
+O=c1[nH]cnc2nn(-c3ccccc3)nc12,0,0.0,
+O=c1[nH]cnc2sc3c(c12)CCCC3,0,0.0,
+O=c1[nH]cnc2scc(-c3ccc(F)cc3)c12,0,0.0,
+O=c1[nH]cnc2scc(-c3ccsc3)c12,0,0.0,
+O=c1[nH]cnc2scc(C3COc4ccccc4O3)c12,0,0.0,
+O=c1[nH]n(-c2cccc3cccnc23)c(=O)c2ccccc12,0,0.0,
+O=c1[nH]n(-c2ccccc2)c(=O)c2ccccc12,0,0.0,
+O=c1[nH]n(-c2ccccn2)c(=O)c2ccccc12,0,0.0,
+O=c1[nH]n(-c2ncnc3c2cnn3-c2ccccc2)c(=O)c2ccccc12,0,0.0,
+O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12,0,0.0,
+O=c1[nH]nc(CSCc2ccccc2Cl)[nH]1,0,0.0,
+O=c1[nH]nc(Cc2ccccn2)c2ccccc12,0,0.0,
+O=c1[nH]nc(Sc2ncnc3sccc23)n1CCc1ccccc1,0,0.0,
+O=c1[nH]nc2n1CCCCC2,0,0.0,
+O=c1[nH]ncc2c3ccccc3n(Cc3ccc(F)cc3)c12,0,0.0,
+O=c1[nH]ncc2c3ccccc3n(Cc3ccccc3)c12,0,0.0,
+O=c1[nH]ncc2c3ccccc3n(Cc3ccccc3F)c12,0,0.0,
+O=c1[nH]ncn2cccc12,0,0.0,
+O=c1[nH]nnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3,0,0.0,
+O=c1[nH]nnc2sc3c(c12)CCCC3,0,0.0,
+O=c1c(-c2ccc(Br)cc2)coc2c(CN3CCOCC3)c(O)ccc12,0,0.0,
+O=c1c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc2n1O,0,0.0,
+O=c1c(-c2ccc(Cl)cc2)coc2c(CN3CCOCC3)c(O)ccc12,0,0.0,
+O=c1c(-c2ccc(F)cc2)coc2c3c(ccc12)OCCO3,0,0.0,
+O=c1c(-c2ccc(F)cc2)coc2cc(O)ccc12,0,0.0,
+O=c1c(-c2ccc3c(c2)OCCO3)c(C(F)(F)F)oc2cc(O)cc(O)c12,0,0.0,
+O=c1c(-c2ccc3c(c2)OCCO3)coc2c(CN3CCOCC3)c(O)ccc12,0,0.0,
+O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)cc(O)c12,0,0.0,
+O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1O,0,0.0,
+O=c1c(-c2ccccc2)c(O)c2cccc3c2n1CCC3,0,0.0,
+O=c1c(-c2ccccc2)c(O)nc2ccccn12,0,0.0,
+O=c1c(-c2ccccc2)coc2c(CN3CCCC3)c(O)ccc12,0,0.0,
+O=c1c(-c2ccccc2)coc2c(CN3CCOCC3)c(O)ccc12,0,0.0,
+O=c1c(-c2ccccc2)n[nH]c2ccccc12,0,0.0,
+O=c1c(-c2ccco2)[n+]([O-])c2ccccc2n1OCc1ccccn1,0,0.0,
+O=c1c(-c2nc3ccccc3o2)c2oc3ccccc3n2c2ccccc12,1,100.0,
+O=c1c(/C=N/O)c(Nc2ccccc2)nc2ccccn12,0,0.0,
+O=c1c(/C=N/O)coc2ccc3ccccc3c12,0,0.0,
+O=c1c(=O)n(O)c2ccccc2n1O,0,0.0,
+O=c1c(C(c2nnnn2C2CCCCC2)N2CCCCC2)coc2ccc(Cl)cc12,0,0.0,
+O=c1c(C/C=C/c2ccccc2)c(O)nc2n1CCCS2,0,0.0,
+O=c1c(C=NCCCn2ccnc2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1,0,0.0,
+O=c1c(C=NCCN2CCNCC2)c(O)n(C2CCCCC2)c(=O)n1C1CCCCC1,0,0.0,
+O=c1c(CN2CCN(Cc3ccccc3)CC2)coc2ccc(Cl)cc12,1,100.0,1.0
+O=c1c(Cc2ccccc2)c(O)nc2n1CCS2,0,0.0,
+O=c1c(Cc2ccccc2O)c(O)nc2n1CCCS2,0,0.0,
+O=c1c(Cl)c(NCCO)ncn1-c1ccccc1,0,0.0,
+O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1c(F)cccc1Cl,0,0.0,
+O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccccc1Cl,0,0.0,
+O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccccc1F,0,0.0,
+O=c1c(N2CCCCC2)coc2ccccc12,0,0.0,
+O=c1c(N2CCOCC2)nsn1Cc1ccccc1,0,0.0,
+O=c1c(N2CCOCC2)nsnc1N1CCOCC1,0,0.0,
+O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,0,0.0,
+O=c1c(O)c(-c2ccc3c(c2)OCO3)oc2ccccc12,0,0.0,
+O=c1c(O)c(-c2cccs2)oc2ccccc12,1,100.0,
+O=c1c2[nH]c3ccc(Br)cc3c2ncn1CCCn1ccnc1,0,0.0,
+O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCN1CCCCC1,0,0.0,
+O=c1c2[nH]c3ccc(Cl)cc3c2ncn1Cc1ccccn1,0,0.0,
+O=c1c2[nH]c3ccc(F)cc3c2ncn1C1CCCCC1,0,0.0,
+O=c1c2[nH]c3ccc(F)cc3c2ncn1CCCN1CCOCC1,0,0.0,
+O=c1c2[nH]c3ccc(F)cc3c2ncn1CCCn1ccnc1,0,0.0,
+O=c1c2[nH]c3ccc(F)cc3c2ncn1CCN1CCN(Cc2ccccc2)CC1,0,0.0,
+O=c1c2[nH]c3ccc(F)cc3c2ncn1CCN1CCOCC1,0,0.0,
+O=c1c2[nH]c3cccc(Cl)c3c2ncn1CCN1CCCCC1,0,0.0,
+O=c1c2[nH]c3cccc(Cl)c3c2ncn1Cc1ccncc1,0,0.0,
+O=c1c2[nH]c3ccccc3c2ncn1C1CCCCC1,0,0.0,
+O=c1c2[nH]c3ccccc3c2ncn1CCC1=CCCCC1,0,0.0,
+O=c1c2[nH]c3ccccc3c2ncn1CCCn1ccnc1,0,0.0,
+O=c1c2[nH]c3ccccc3c2ncn1CCN1CCCCC1,0,0.0,
+O=c1c2[nH]c3ccccc3c2ncn1CCN1CCNCC1,1,100.0,0.0
+O=c1c2[nH]c3ccccc3c2ncn1CCN1CCOCC1,0,0.0,
+O=c1c2[nH]c3ccccc3c2ncn1Cc1ccccn1,0,0.0,
+O=c1c2[nH]c3ccccc3c2ncn1Cc1cccnc1,0,0.0,
+O=c1c2[nH]c3ccccc3c2ncn1Cc1ccncc1,0,0.0,
+O=c1c2c(-c3ccccc3)csc2nc2n1CCC2,0,0.0,
+O=c1c2c(-c3ccco3)csc2nc(SCc2cn3cccnc3n2)n1-c1ccccc1,0,0.0,
+O=c1c2c([nH]c3ccc(Br)cc13)CCCC2,0,0.0,
+O=c1c2c([nH]c3ccccc13)C(=C1CCCC1)CC2,0,0.0,
+O=c1c2c([nH]c3ccccc13)CCCCCC2,0,0.0,
+O=c1c2c(n3nnnc3n1-c1ccccc1)-c1ccccc1CC21CCCC1,0,0.0,
+O=c1c2c(n3nnnc3n1Cc1ccccc1)-c1ccccc1CC21CCCC1,0,0.0,
+O=c1c2c(nc3c(-c4ccc(Cl)cc4)c[nH]n13)CCCC2,0,0.0,
+O=c1c2c(nc3c(-c4cccc5ccccc45)c[nH]n13)CCC2,0,0.0,
+O=c1c2c(nc3c(-c4ccccc4)c[nH]n13)CCCC2,0,0.0,
+O=c1c2c(nc3cc(-c4ccc(F)cc4)[nH]n13)CCCC2,0,0.0,
+O=c1c2c(nc3n1CCCCC3)-c1ccccc1CC21CCCC1,1,100.0,1.0
+O=c1c2c(nc3n1CCCCC3)sc1c(O)cccc12,0,0.0,
+O=c1c2c(nc3nc(CCc4ccccc4)[nH]n13)CCC2,0,0.0,
+O=c1c2c(nc3nc(COc4ccccc4)[nH]n13)CCC2,0,0.0,
+O=c1c2c(nc3nc(Cc4ccccc4)[nH]n13)CCC2,0,0.0,
+O=c1c2c(nc3nc(SCc4ccccc4)[nH]n13)CCC2,0,0.0,
+O=c1c2c3c(sc2n2cnnc2n1-c1ccccc1)N(Cc1ccccc1)CCC3,0,0.0,
+O=c1c2c3c(sc2n2cnnc2n1C1CCCCC1)CCC3,0,0.0,
+O=c1c2c3c(sc2n2cnnc2n1CCc1ccccc1)CCCC3,0,0.0,
+O=c1c2c3c(sc2n2cnnc2n1Cc1ccccc1)CN(Cc1ccccc1)CC3,0,0.0,
+O=c1c2c3c(sc2nc2n1CCC2)CCC3,0,0.0,
+O=c1c2c3c(sc2nc2n1CCCC2)CCC3,0,0.0,
+O=c1c2c3c(sc2nc2n1CCCCC2)CCCCC3,1,100.0,1.0
+O=c1c2c3c(sc2nc2n1CCCS2)CCCC3,0,0.0,
+O=c1c2c3c(sc2nc2sc(C4CC4)nn12)CCCC3,0,0.0,
+O=c1c2c3c(sc2nc2sc(CN4CCOCC4)cn12)CCCC3,0,0.0,
+O=c1c2c3c(sc2ncn1/N=C/c1ccc(Br)o1)CCCC3,0,0.0,
+O=c1c2c3c(sc2ncn1/N=C/c1ccco1)CCCC3,0,0.0,
+O=c1c2c3n(c(=O)nc2[nH]n1-c1ccccc1)CCCCC3,0,0.0,
+O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCCO4)c2ncn1C1CCCC1,0,0.0,
+O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCCO4)c2ncn1CC1CCCO1,1,100.0,
+O=c1c2c3nc4ccccc4nc3n(-c3cccc(F)c3)c2ncn1Cc1ccc2c(c1)OCO2,0,0.0,
+O=c1c2c3nc4ccccc4nc3n(/N=C/c3ccco3)c2ncn1CCC1=CCCCC1,0,0.0,
+O=c1c2c3nc4ccccc4nc3n(/N=C/c3cccs3)c2ncn1-c1ccccc1,0,0.0,
+O=c1c2c3nc4ccccc4nc3n(CC3CCCO3)c2ncn1CCc1ccccc1,0,0.0,
+O=c1c2c3nc4ccccc4nc3n(CCN3CCOCC3)c2ncn1CCN1CCOCC1,0,0.0,
+O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1Cc1ccco1,0,0.0,
+O=c1c2cc(-c3ccccc3)sc2ncn1/N=C/c1ccco1,0,0.0,
+O=c1c2cc(Cl)cc(Cl)c2nc(CN2CCOCC2)n1-c1ccccc1F,0,0.0,
+O=c1c2cc(Cl)ccc2[nH]c(=S)n1Cc1ccco1,0,0.0,
+O=c1c2cc(Cl)ccc2nc2ccc(N3CCCC3)nn12,0,0.0,
+O=c1c2cc(Cl)ccc2oc2nc3n(c(=O)c12)CCCS3,0,0.0,
+O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CC1CCCO1,0,0.0,
+O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCCN1CCCC1,0,0.0,
+O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCCN1CCCCC1,0,0.0,
+O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCCN1CCCCCC1,0,0.0,
+O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCCN1CCN(c2ccccc2F)CC1,0,0.0,
+O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCN1CCCC1,0,0.0,
+O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1Cc1ccccn1,0,0.0,
+O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1Cc1ccco1,0,0.0,
+O=c1c2cc3c(=O)n(CC4CCCO4)c(=O)c3cc2c(=O)n1CC1CCCO1,0,0.0,
+O=c1c2cc3c(cc2[nH]c(=S)n1CCN1CCOCC1)OCO3,0,0.0,
+O=c1c2cc3c(cc2[nH]c(=S)n1Cc1ccco1)OCO3,0,0.0,
+O=c1c2cc3ccccc3n2cnn1Cc1ccccc1F,0,0.0,
+O=c1c2ccc(-c3nnc4n3-c3ccccc3SC4)cc2nc2n1CCCCC2,0,0.0,
+O=c1c2cccc3c(N4CCOCC4)ccc(c32)c2nc3ccccc3n12,0,0.0,
+O=c1c2cccc3c2c(nn1CN1CCOCC1)-c1ccccc1-3,0,0.0,
+O=c1c2ccccc2[nH]c(=S)n1-c1ccc2c(c1)OCO2,0,0.0,
+O=c1c2ccccc2[nH]c(=S)n1C1CCCCC1,0,0.0,
+O=c1c2ccccc2[nH]c(=S)n1CCCN1CCN(C2CCCCC2)CC1,1,100.0,1.0
+O=c1c2ccccc2[nH]c(=S)n1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0,0.0,
+O=c1c2ccccc2[nH]c(=S)n1CCN1CCN(Cc2ccccc2)CC1,1,100.0,1.0
+O=c1c2ccccc2[nH]c(=S)n1Cc1cccnc1,0,0.0,
+O=c1c2ccccc2[se]n1-c1ccccc1,0,0.0,
+O=c1c2ccccc2c(/C=N/c2ncn[nH]2)c(O)n1Cc1ccccc1,0,0.0,
+O=c1c2ccccc2c(/C=N/n2cnnc2)c(O)n1-c1ccccc1,0,0.0,
+O=c1c2ccccc2c(/C=N/n2cnnc2)c(O)n1-c1ccccc1F,0,0.0,
+O=c1c2ccccc2c(C=NC2CCS(=O)(=O)C2)c(O)n1-c1ccccc1,0,0.0,
+O=c1c2ccccc2c(C=NCCCN2CCOCC2)c(O)n1Cc1ccccc1,0,0.0,
+O=c1c2ccccc2c(C=NCCO)c(O)n1-c1ccccc1,0,0.0,
+O=c1c2ccccc2c(C=Nc2ccc(Cl)cn2)c(O)n1-c1cc(Cl)ccc1N1CCOCC1,0,0.0,
+O=c1c2ccccc2c2ccccc2c(=O)n1CC1CCCO1,0,0.0,
+O=c1c2ccccc2c2ccccc2c(=O)n1Cc1cccnc1,0,0.0,
+O=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccco1,0,0.0,
+O=c1c2ccccc2cnn1-c1nc2ccccc2s1,0,0.0,
+O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccco1,0,0.0,
+O=c1c2ccccc2n(Cc2ccc(F)cc2)c(=O)n1C1CCCC1,1,100.0,0.0
+O=c1c2ccccc2n2cnnc2n1-c1ccccc1,0,0.0,
+O=c1c2ccccc2n2nnnc2n1-c1ccccc1,0,0.0,
+O=c1c2ccccc2nc(-c2cccc(Cl)c2)n1O,0,0.0,
+O=c1c2ccccc2nc(-c2ccccc2)n1-n1cccc1,1,100.0,0.0
+O=c1c2ccccc2nc(-c2ccccc2)n1CCCn1ccnc1,0,0.0,
+O=c1c2ccccc2nc(-c2ccccc2)n1CCN1CCOCC1,0,0.0,
+O=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccco1,0,0.0,
+O=c1c2ccccc2nc(-c2ccco2)n1-c1ccc(Br)cn1,0,0.0,
+O=c1c2ccccc2nc(-c2ccco2)n1-c1ccccn1,0,0.0,
+O=c1c2ccccc2nc(-c2ccco2)n1-c1cccnc1,0,0.0,
+O=c1c2ccccc2nc(-c2ccco2)n1-c1ccncc1,0,0.0,
+O=c1c2ccccc2nc(-c2ccco2)n1-c1nccs1,0,0.0,
+O=c1c2ccccc2nc(-c2ccco2)n1/N=C/c1ccco1,0,0.0,
+O=c1c2ccccc2nc(-c2ccco2)n1CCCn1ccnc1,0,0.0,
+O=c1c2ccccc2nc(-c2ccco2)n1Cc1ccccc1,0,0.0,
+O=c1c2ccccc2nc(-c2cccs2)n1-c1cnccn1,0,0.0,
+O=c1c2ccccc2nc(CN2CCCCCC2)n1-c1ccc(F)cc1,0,0.0,
+O=c1c2ccccc2nc(CN2CCOCC2)n1-c1ccccc1F,0,0.0,
+O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccco1,0,0.0,
+O=c1c2ccccc2nc(CSc2ncnc3nc[nH]c23)n1-c1ccccc1,0,0.0,
+O=c1c2ccccc2nc(CSc2nnnn2-c2ccccc2)n1-c1ccccc1,0,0.0,
+O=c1c2ccccc2nc(N2CCCC2)n1-c1ccc(Cl)cc1,0,0.0,
+O=c1c2ccccc2nc(N2CCN(c3ccccc3)CC2)n1Cc1ccccc1,0,0.0,
+O=c1c2ccccc2nc(SCc2cc(F)cc3c2OCOC3)n1Cc1ccco1,0,0.0,
+O=c1c2ccccc2nc(SCc2cccc(F)c2)n1Cc1ccco1,0,0.0,
+O=c1c2ccccc2nc(SCc2ccccc2)n1Cc1ccco1,0,0.0,
+O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccc(F)cc1,0,0.0,
+O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccccc1F,0,0.0,
+O=c1c2ccccc2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccc(F)cc1,0,0.0,
+O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1Cc1ccco1,0,0.0,
+O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3)o2)n1-c1ccc(F)cc1F,0,0.0,
+O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3Br)o2)n1-c1ccccc1,0,0.0,
+O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3Br)o2)n1Cc1ccco1,0,0.0,
+O=c1c2ccccc2nc2c3ccccc3c(N3CCOCC3)nn12,0,0.0,
+O=c1c2ccccc2nc2c3ccccc3c3nncn3n12,0,0.0,
+O=c1c2ccccc2nc2c3ccccc3ncn12,0,0.0,
+O=c1c2ccccc2nc2ccc(NCc3ccco3)nn12,0,0.0,
+O=c1c2ccccc2nc2n1-c1ccccc1CCC2,0,0.0,
+O=c1c2ccccc2nc2n1CC/C2=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+O=c1c2ccccc2nc2n1CCC2,0,0.0,
+O=c1c2ccccc2nc2n1CCCCC2,0,0.0,
+O=c1c2ccccc2nc2n1CCCCN2,0,0.0,
+O=c1c2ccccc2nc2n1CCCS2,0,0.0,
+O=c1c2ccccc2nc2n1CCN2,0,0.0,
+O=c1c2ccccc2nc2n1CCN2Cc1ccc(Cl)cc1,0,0.0,
+O=c1c2ccccc2nc2n1CCS2,0,0.0,
+O=c1c2ccccc2nc2sc3ccccc3n12,0,0.0,
+O=c1c2ccccc2ncn1-c1ccc2c(c1)OCCO2,0,0.0,
+O=c1c2ccccc2ncn1C1CCCCC1,0,0.0,
+O=c1c2ccccc2ncn1Cc1ccco1,0,0.0,
+O=c1c2ccccc2ncn1Cc1nc2ccccc2s1,0,0.0,
+O=c1c2ccccc2nnn1CSc1ccc2c(c1)OCCO2,0,0.0,
+O=c1c2ccccc2nnn1CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1,0,0.0,
+O=c1c2ccccc2nnn1CSc1nc2ccccc2c(=O)n1Cc1ccco1,0,0.0,
+O=c1c2ccccc2nnn1CSc1nc2sc3c(c2c(=O)n1CC1CCCO1)CCC3,0,0.0,
+O=c1c2ccccc2nnn1CSc1ncnc2ccccc12,0,0.0,
+O=c1c2ccccc2nnn1CSc1nnc(-c2ccc3c(c2)OCO3)o1,0,0.0,
+O=c1c2ccccc2nnn1CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1,1,100.0,1.0
+O=c1c2ccccc2nnn1CSc1nnc(-c2cccnc2)n1-c1ccccc1F,0,0.0,
+O=c1c2ccccc2nnn1CSc1nnc(-c2ccco2)o1,0,0.0,
+O=c1c2ccccc2nnn1CSc1nnc(-c2cccs2)n1Cc1ccccc1,0,0.0,
+O=c1c2ccccc2nnn1CSc1nnc(C2COc3ccccc3O2)n1-c1ccccc1,1,100.0,0.0
+O=c1c2ccccc2nnn1CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1,0,0.0,
+O=c1c2ccccc2nnn1CSc1nnc(Nc2ccccc2)s1,0,0.0,
+O=c1c2ccccc2nnn1CSc1nnc2ccccn12,0,0.0,
+O=c1c2ccccc2nnn1CSc1nnc2sc3ccccc3n12,0,0.0,
+O=c1c2ccccc2nnn1Cc1ccccn1,0,0.0,
+O=c1c2ccccc2nnn1Cc1nnc(-c2ccccc2Br)o1,0,0.0,
+O=c1c2ccccc2oc2nc(-c3ccco3)n(CCc3ccccc3)c(=O)c12,0,0.0,
+O=c1c2ccccc2oc2nc(-c3ccco3)n(Cc3ccccc3)c(=O)c12,0,0.0,
+O=c1c2ccccc2oc2nc(C3CCCCC3)n(Cc3ccco3)c(=O)c12,0,0.0,
+O=c1c2ccccc2oc2nc3n(c(=O)c12)CCCS3,0,0.0,
+O=c1c2ccccc2oc2ncccc12,0,0.0,
+O=c1c2ccccc2sc2nc(C3CCCCC3)n(Cc3ccco3)c(=O)c12,0,0.0,
+O=c1c2ccccc2sn1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1,0,0.0,
+O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0.0,
+O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
+O=c1c2cccnc2[nH]c(=S)n1CCC1=CCCCC1,0,0.0,
+O=c1c2cccnc2[nH]c(=S)n1CCCN1CCN(c2ccccc2F)CC1,0,0.0,
+O=c1c2cn[nH]c2[nH]c(=S)n1-c1ccccc1F,0,0.0,
+O=c1c2cn[nH]c2nc(SCc2ccc3c(c2)OCCO3)n1-c1ccccc1,0,0.0,
+O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1ccccn1,0,0.0,
+O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1cccnc1,0,0.0,
+O=c1c2cnn(-c3ccccc3)c2nc(-c2ccco2)n1-c1ccccc1,0,0.0,
+O=c1c2cnn(-c3ccccc3)c2ncn1/N=C/c1ccncc1,0,0.0,
+O=c1c2cnn(-c3ccccc3)c2ncn1Cc1cccc(Cl)c1,0,0.0,
+O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1,0,0.0,
+O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1F,0,0.0,
+O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccn1,0,0.0,
+O=c1c2cnn(-c3ccccc3)c2ncn1Cc1cccnc1,0,0.0,
+O=c1c2cnn(-c3ccccc3)c2nnn1Cc1ccccn1,0,0.0,
+O=c1c2cnn(-c3ccccc3Cl)c2ncn1Cc1cccnc1,0,0.0,
+O=c1c2nnn(Cc3ccc(Cl)cc3)c2ncn1Cc1ccc(F)cc1,0,0.0,
+O=c1c2nnn(Cc3ccccc3)c2ncn1-c1ccccc1,0,0.0,
+O=c1c2nnn(Cc3ccccc3)c2ncn1C/C=C/c1ccccc1,0,0.0,
+O=c1c2oc3ccccc3c2ncn1Cc1ccccc1Cl,0,0.0,
+O=c1c2oc3ccccc3c2ncn1Cc1ccccc1F,0,0.0,
+O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1Cc1ccco1)CCCC4,0,0.0,
+O=c1c[n+]([O-])c2ccccc2n1OCc1c(F)cccc1F,0,0.0,
+O=c1c[n+]([O-])c2ccccc2n1OCc1ccccn1,0,0.0,
+O=c1cc(-c2c(F)c(F)c(F)c(F)c2F)oc2c(F)c(F)c(F)c(F)c12,0,0.0,
+O=c1cc(-c2ccc(Cl)c(Cl)c2)[nH][nH]1,0,0.0,
+O=c1cc(-c2ccc(Cl)cc2)[nH][nH]1,0,0.0,
+O=c1cc(-c2ccc3c(c2)OCO3)oc2ccccc12,0,0.0,
+O=c1cc(-c2cccc3ccccc23)[nH][nH]1,0,0.0,
+O=c1cc(-c2ccccc2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12,0,0.0,
+O=c1cc(-c2ccccc2)[nH]c2ccccc12,0,0.0,
+O=c1cc(-c2ccccc2)[nH]c2nc3ccccc3n12,0,0.0,
+O=c1cc(-c2ccccc2)[nH]n1-c1nc2ccccc2[nH]1,0,0.0,
+O=c1cc(-c2ccccc2)[nH]n1-c1nc2ccccc2s1,0,0.0,
+O=c1cc(-c2ccccc2)c2c([nH]1)CCCC2,0,0.0,
+O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCCCC3)c2o1,0,0.0,
+O=c1cc(-c2ccccc2)c2ccccc2[nH]1,0,0.0,
+O=c1cc(-c2ccccc2)nc(N2CCCCC2)[nH]1,0,0.0,
+O=c1cc(-c2ccccc2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]1,0,0.0,
+O=c1cc(-c2ccccc2)nc(N2CCN(Cc3ccccc3)CC2)[nH]1,0,0.0,
+O=c1cc(-c2ccccc2)nc2n1Cc1ccccc1-2,0,0.0,
+O=c1cc(-c2ccccc2)nc2nc(-c3ccccc3)[nH]n12,0,0.0,
+O=c1cc(-c2ccccc2)nc2nc(-c3ccco3)[nH]n12,0,0.0,
+O=c1cc(-c2ccccc2)nc2nc(CCc3ccccc3)[nH]n12,0,0.0,
+O=c1cc(-c2ccccc2)nc2nc(COc3ccccc3)[nH]n12,0,0.0,
+O=c1cc(-c2ccccc2)nc2nc(SCc3ccccc3)[nH]n12,0,0.0,
+O=c1cc(-c2ccccc2Cl)c2c([nH]1)CCC2,0,0.0,
+O=c1cc(-c2ccco2)nc(-c2cccs2)o1,0,0.0,
+O=c1cc(-c2ccco2)oc2ccc(Cl)cc12,0,0.0,
+O=c1cc(-c2ccncc2)oc2ccccc12,0,0.0,
+O=c1cc(C(F)(F)F)c2sc(N3CCCCC3)nc2[nH]1,0,0.0,
+O=c1cc(C(F)(F)F)nc(-c2ccccc2)[nH]1,0,0.0,
+O=c1cc(C(F)F)oc2c1ccc1ccccc12,0,0.0,
+O=c1cc(C23CC4CC(CC(C4)C2)C3)[nH][nH]1,0,0.0,
+O=c1cc(C2CCNCC2)[nH][nH]1,0,0.0,
+O=c1cc(CN2CCC3(CC2)OCCO3)c2c(ccc3ccccc32)o1,0,0.0,
+O=c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)c2cc(O)ccc2o1,0,0.0,
+O=c1cc(CN2CCN(CCO)CC2)c2cc3c(cc2o1)CCC3,0,0.0,
+O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2cc(Cl)ccc2o1,0,0.0,
+O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)nc2sccn12,0,0.0,
+O=c1cc(CN2CCN(c3ccccc3)CC2)c2c(ccc3ccccc32)o1,0,0.0,
+O=c1cc(CN2CCN(c3ccccc3)CC2)c2cc(O)c(-c3ccccc3)cc2o1,0,0.0,
+O=c1cc(CN2CCc3ccccc32)nc2sccn12,0,0.0,
+O=c1cc(CNC2CCCCC2)c2ccccc2[nH]1,0,0.0,
+O=c1cc(CNCCCO)c2ccccc2[nH]1,0,0.0,
+O=c1cc(CO)oc(C(Nc2ccccn2)c2ccc(C(F)(F)F)cc2)c1O,0,0.0,
+O=c1cc(CO)oc(C(Nc2ccccn2)c2ccccc2F)c1O,0,0.0,
+O=c1cc(CO)oc(C(Nc2ccccn2)c2ccsc2)c1O,0,0.0,
+O=c1cc(CO)oc(CN2CCC(Cc3ccccc3)CC2)c1O,0,0.0,
+O=c1cc(CO)oc(CN2CCCC2)c1O,0,0.0,
+O=c1cc(CO)oc(CN2CCN(c3ccccc3)CC2)c1O,0,0.0,
+O=c1cc(CO)oc(CN2CCN(c3ccccc3F)CC2)c1O,0,0.0,
+O=c1cc(COn2nnc3ccc(C(F)(F)F)cc32)nc2sccn12,0,0.0,
+O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCCCC2)[nH]1,0,0.0,
+O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCOCC2)[nH]1,0,0.0,
+O=c1cc(CSc2ccc(Cl)cc2)nc2nc[nH]n12,0,0.0,
+O=c1cc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)nc2sccn12,0,0.0,
+O=c1cc(CSc2ccccn2)[nH]c(=O)[nH]1,0,0.0,
+O=c1cc(CSc2ccccn2)c2ccccc2[nH]1,0,0.0,
+O=c1cc(CSc2nc3cc(Cl)ccc3o2)nc2sccn12,0,0.0,
+O=c1cc(CSc2nnc(-c3ccccc3)o2)c2ccccc2[nH]1,0,0.0,
+O=c1cc(CSc2nnc(-c3ccco3)o2)c2ccccc2[nH]1,0,0.0,
+O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12,0,0.0,
+O=c1cc(CSc2nnc(COc3ccc(Cl)cc3)o2)c2ccccc2[nH]1,0,0.0,
+O=c1cc(CSc2nnc(COc3ccccc3)o2)c2ccccc2[nH]1,0,0.0,
+O=c1cc(CSc2nnc(COc3ccccc3Cl)o2)nc2sccn12,0,0.0,
+O=c1cc(CSc2nnnn2-c2ccccc2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12,0,0.0,
+O=c1cc(CSc2nnnn2-c2ccccc2)nc2nc[nH]n12,1,100.0,0.0
+O=c1cc(CSc2nnnn2-c2ccccc2)nc2scc(-c3ccccc3)n12,0,0.0,
+O=c1cc(Cn2ccnc2)c2cc3c(cc2o1)CCC3,0,0.0,
+O=c1cc(Cn2nnc(-c3ccc(Cl)cc3)n2)nc2sccn12,0,0.0,
+O=c1cc(N2CCC(Cc3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1,0,0.0,
+O=c1cc(N2CCC3(CC2)OCCO3)[nH]c(=O)n1-c1ccc(Br)cc1,0,0.0,
+O=c1cc(N2CCC3(CC2)OCCO3)[nH]c(=O)n1-c1ccc(Cl)cc1,0,0.0,
+O=c1cc(N2CCCC2)[nH]c(=O)n1-c1ccc(Cl)cc1,0,0.0,
+O=c1cc(N2CCCCC2)nc2n1CCCS2,0,0.0,
+O=c1cc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)n1-c1cccc(C(F)(F)F)c1,0,0.0,
+O=c1cc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)n1Cc1ccc(F)cc1,0,0.0,
+O=c1cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)n1C1CCCCC1,0,0.0,
+O=c1cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c(=O)n1C1CCCCC1,0,0.0,
+O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1-c1ccccc1Cl,0,0.0,
+O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1,0,0.0,
+O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1Cc1ccc(F)cc1,0,0.0,
+O=c1cc(N2CCN(c3ccccc3F)CC2)[nH]c(=O)n1-c1ccc(Br)cc1,0,0.0,
+O=c1cc(N2CCOCC2)[nH]c(=O)n1-c1ccc(Br)cc1,0,0.0,
+O=c1cc(N2CCOCC2)[nH]c(=O)n1-c1ccc(Cl)cc1,0,0.0,
+O=c1cc(N2CCOCC2)[nH]c(=O)n1C1CCCCC1,0,0.0,
+O=c1cc(N2CCOCC2)[nH]c(=O)n1Cc1ccc(F)cc1,0,0.0,
+O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccccc1,0,0.0,
+O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1Cc1ccc(F)cc1,0,0.0,
+O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Br)cc1,0,0.0,
+O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Cl)cc1,0,0.0,
+O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1C1CCCCC1,0,0.0,
+O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1Cc1ccc(F)cc1,0,0.0,
+O=c1cc(NC2CCCCCC2)[nH]c(=O)[nH]1,0,0.0,
+O=c1cc(NCC2CCCO2)[nH]c(=O)n1-c1ccc(Cl)cc1,0,0.0,
+O=c1cc(NCCO)c2ccccc2o1,0,0.0,
+O=c1cc(NCc2ccc3c(c2)OCO3)[nH]c(=O)n1-c1ccc(Cl)cc1,0,0.0,
+O=c1cc(NCc2ccccc2)c2ccccc2o1,0,0.0,
+O=c1cc(NCc2ccccc2)nc2n1CCCS2,0,0.0,
+O=c1cc(NCc2ccco2)[nH]c(=O)n1-c1ccc(Br)cc1,0,0.0,
+O=c1cc(NCc2ccco2)c2ccccc2o1,0,0.0,
+O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1-c1ccc(Br)cc1,0,0.0,
+O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1-c1ccc(Cl)cc1,0,0.0,
+O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1C1CCCCC1,0,0.0,
+O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1Cc1ccc(F)cc1,0,0.0,
+O=c1cc(Nc2ccc3c(c2)OCO3)[nH]c(=O)n1-c1ccc(Br)cc1,0,0.0,
+O=c1cc(O)c2c(=O)[nH]c(=O)n(-c3ccccc3)c2[nH]1,0,0.0,
+O=c1cc(O)c2c(=O)n(-c3ccccc3)c3ccccc3c2o1,0,0.0,
+O=c1cc(O)c2c(=O)n3c4c(cccc4c2o1)CCC3,0,0.0,
+O=c1cc(O)n(-c2ccccc2F)c(=S)[nH]1,0,0.0,
+O=c1cc(O)nc(SC23CC4CC(CC(C4)C2)C3)[nH]1,0,0.0,
+O=c1cc(O)nc(SCc2ccc(Cl)cc2)[nH]1,0,0.0,
+O=c1cc(O)nc(SCc2ccccc2)[nH]1,0,0.0,
+O=c1cc(O)nc(SCc2ccccc2Cl)[nH]1,0,0.0,
+O=c1cc(O)nc2n1CCCS2,0,0.0,
+O=c1cc(O)sc2ccccc12,0,0.0,
+O=c1cc2c(n[nH]1)CCCC2,0,0.0,
+O=c1cc2n(c(=O)[nH]1)CCC1=C2CCCC1,0,0.0,
+O=c1cc[nH]c2c(C(F)(F)F)cccc12,0,0.0,
+O=c1cc[nH]c2cc(C(F)(F)F)ccc12,0,0.0,
+O=c1cc[nH]c2cccc(Cc3ccccc3)c12,0,0.0,
+O=c1ccc(=O)n2n1CC(O)C2,0,0.0,
+O=c1ccc(Br)c[nH]1,0,0.0,
+O=c1ccc(Oc2nc(N3CCCCC3)nc(N3CCCCC3)n2)n[nH]1,0,0.0,
+O=c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c[nH]1,0,0.0,
+O=c1ccc2c(o1)/C(=C/C=C(Cl)Cl)CCC2,0,0.0,
+O=c1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2o1,1,100.0,
+O=c1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2o1,0,0.0,
+O=c1ccc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2o1,0,0.0,
+O=c1ccc2cc3c([nH]c4ccc(Br)cc43)oc-2c1O,1,100.0,0.0
+O=c1ccc2ccc(OCc3nnc(-c4ccccc4Br)o3)cc2o1,0,0.0,
+O=c1cccc(-c2ccc(Br)cc2)o1,0,0.0,
+O=c1cccc(-c2ccccc2)[nH]1,0,0.0,
+O=c1cccc2n1CC1CC2CN(C(c2cccc(F)c2)c2sc3ncnn3c2O)C1,0,0.0,
+O=c1cccc2n1CC1CC2CN(C(c2ccccc2)c2sc3ncnn3c2O)C1,0,0.0,
+O=c1cccc2n1CC1CC2CN(Cc2c(Cl)cccc2Cl)C1,0,0.0,
+O=c1cccc2n1CC1CC2CN(Cc2c(F)cccc2Cl)C1,0,0.0,
+O=c1cccc2n1CC1CC2CN(Cc2ccc3c(c2)OCO3)C1,0,0.0,
+O=c1cccc2n1CC1CC2CN(Cc2cccc(Cl)c2Cl)C1,0,0.0,
+O=c1cccc2n1CC1CC2CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1,0,0.0,
+O=c1cccc2n1CC1CC2CN(c2ncnc3c2cnn3-c2ccccc2)C1,0,0.0,
+O=c1ccccn1Cc1ccccc1F,0,0.0,
+O=c1ccn(CCOc2ccc(Cl)cc2)c(=O)[nH]1,0,0.0,
+O=c1ccn(Cc2ccccc2)c(=O)n1Cc1ccccc1,0,0.0,
+O=c1ccn(Cc2ccccc2Cl)cc1,0,0.0,
+O=c1ccnc(NCCc2ccccc2)[nH]1,0,0.0,
+O=c1ccnc(S/C=C/c2ccccc2)[nH]1,0,0.0,
+O=c1ccnc(SCc2ccccc2Cl)[nH]1,0,0.0,
+O=c1ccsn1Cc1ccccc1,0,0.0,
+O=c1cnc2ccccc2n1CC1CCCCC1,0,0.0,
+O=c1cnn(-c2ccccc2)c(-c2ccccc2)c1,0,0.0,
+O=c1cnnc(NCc2ccccc2)[nH]1,0,0.0,
+O=c1cnnc(SCCc2ccccc2)[nH]1,0,0.0,
+O=c1n(-c2cccc(Cl)c2)c(=O)n2n1CCC2,0,0.0,
+O=c1n(-c2ccccc2)c(=O)n(Cc2ccccn2)n1Cc1ccccn1,0,0.0,
+O=c1n(-c2ccccc2)c(=O)n2n1CCC2,0,0.0,
+O=c1n(-c2ccccc2)c(=O)n2n1CCCC2,0,0.0,
+O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,0,0.0,
+O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCCC3,0,0.0,
+O=c1n(Cc2ccccc2)c2cc(Cl)cnc2n1Cc1ccccc1,0,0.0,
+O=c1n(Cc2ccccc2Cl)c2sc3c(c2c2ncnn12)CCCC3,0,0.0,
+O=c1nc(-c2ccccc2)c2cc(Cl)ccc2[nH]1,0,0.0,
+O=c1nc(-c2ccccc2)c2ccccc2[nH]1,0,0.0,
+O=c1nc(-c2ccccc2)cn[nH]1,0,0.0,
+O=c1nc(-c2ccccc2)n(-c2ccccc2)c2ncccc12,0,0.0,
+O=c1nc(C(F)(F)F)nc2ccccn12,0,0.0,
+O=c1nc(N(c2ccccc2)c2ccccc2)[nH]c(=O)[nH]1,0,0.0,
+O=c1nc(N2CCCC2)nc(Nc2ccccc2)[nH]1,0,0.0,
+O=c1nc(N2CCOCC2)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1,0,0.0,
+O=c1nc(N2CCOCC2)ccn1Cc1ccc(Br)cc1,0,0.0,
+O=c1nc(N2CCOCC2)nc2n1CCO2,0,0.0,
+O=c1nc(NC2CCCC2)ccn1Cc1cccc(Br)c1,0,0.0,
+O=c1nc(NCc2ccco2)sc2ncccc12,0,0.0,
+O=c1nc2c(-c3ccccc3F)n[nH]n2c2ccccc12,0,0.0,
+O=c1nc2n(c3c1oc1ccccc13)Cc1ccccc1-2,0,0.0,
+O=c1nc2n(c3c4c(sc13)CCC4)CCC2,0,0.0,
+O=c1nc2n(c3cc(Cl)c(S(=O)(=O)N4CCOCC4)cc13)CCCCC2,0,0.0,
+O=c1nc2n(c3ccccc13)CC(O)=C2c1ccccc1,0,0.0,
+O=c1nc2n(c3ccccc13)Cc1ccccc1-2,0,0.0,
+O=c1nc2n(c3ncccc13)CCC2,0,0.0,
+O=c1nc2n(c3sc4c(c13)CCC4)Cc1ccccc1-2,0,0.0,
+O=c1nc2s/c(=C\c3ccco3)c(=O)n2nc1Cc1ccc(F)cc1,0,0.0,
+O=c1nc2s/c(=C\c3ccco3)c(=O)n2nc1Cc1ccccc1,0,0.0,
+O=c1nc2scc(-c3ccccc3)n2c2ccccc12,0,0.0,
+O=c1nccc(NCc2ccco2)[nH]1,0,0.0,
+O=c1o[nH]c(-c2ccccc2)c1C1=NCCCCC1,0,0.0,
+O=c1oc(-c2cc3ccccc3o2)nc2sc3c(c12)CCCC3,0,0.0,
+O=c1oc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc12,0,0.0,
+O=c1oc(-c2ccccc2)nc2c1cnn2-c1ccccc1,0,0.0,
+O=c1oc(-c2cccnc2)nc2ccccc12,0,0.0,
+O=c1oc(-c2ccco2)nc2c1cnn2-c1ccccc1,0,0.0,
+O=c1oc(-c2ccco2)nc2ccccc12,0,0.0,
+O=c1oc(-c2cccs2)nc2c1cnn2-c1ccccc1,0,0.0,
+O=c1oc(-c2cccs2)nc2sc3c(c12)CCC3,0,0.0,
+O=c1oc(-c2cccs2)nc2sc3c(c12)CCCCC3,0,0.0,
+O=c1oc(-c2cccs2)nc2scc(-c3cccs3)c12,0,0.0,
+O=c1oc2c(CN3CCCCC3)c(O)ccc2c2c1CCCCC2,0,0.0,
+O=c1oc2c(CN3CCCCC3)c(O)ccc2cc1-c1nc2ccccc2[nH]1,1,100.0,
+O=c1oc2c(CN3CCCCCC3)c(O)ccc2cc1-c1nc2ccccc2[nH]1,1,100.0,
+O=c1oc2c(CN3CCOCC3)c(O)c(Cl)cc2c2c1CCC2,0,0.0,
+O=c1oc2c(CN3CCOCC3)c(O)c(Cl)cc2c2c1CCCC2,0,0.0,
+O=c1oc2c(CN3CCOCC3)c(O)ccc2c2c1CCC2,0,0.0,
+O=c1oc2c(CN3CCOCC3)c(O)ccc2c2c1CCCC2,0,0.0,
+O=c1oc2c3c(nn2c2ccccc12)CCCC3,0,0.0,
+O=c1oc2c3c4c(cc2c(C(F)(F)F)c1CCN1CCOCC1)CCCN4CCC3,1,100.0,
+O=c1oc2c3c4c(cc2c2c1CCC2)OCCN4CCC3,0,0.0,
+O=c1oc2c3c4c(cc2cc1-c1nc2ccccc2[nH]1)CCCN4CCC3,1,100.0,
+O=c1oc2c3c4c(cc2s1)CCCN4CCC3,0,0.0,
+O=c1oc2cc(Br)ccc2n1CSC1=NCCS1,0,0.0,
+O=c1oc2cc(O)ccc2c2c1CCCC2,0,0.0,
+O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12,0,0.0,
+O=c1oc2cc(O)ccc2cc1-c1ccc(F)cc1,0,0.0,
+O=c1oc2cc(OCc3nn[nH]n3)ccc2c2c1CCCC2,0,0.0,
+O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2o1,0,0.0,
+O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccccc2)o1,0,0.0,
+O=c1oc2ccccc2c(N2CCCCC2)c1CN1CCCCC1,0,0.0,
+O=c1oc2ccccc2c(O)c1/C=N/c1ccccn1,0,0.0,
+O=c1oc2ccccc2c(O)c1/C=N/c1ncccn1,0,0.0,
+O=c1oc2ccccc2c(O)c1C=NCc1ccccn1,0,0.0,
+O=c1oc2ccccc2c(O)c1CN1CCCCC1,0,0.0,
+O=c1oc2ccccc2c2c1ncn2-c1ccccc1,0,0.0,
+O=c1oc2ccccc2c2c1ncn2C1CCCCC1,0,0.0,
+O=c1oc2ccccc2c2c1ncn2CCN1CCOCC1,0,0.0,
+O=c1oc2ccccc2c2nccnc12,0,0.0,
+O=c1oc2ccccc2cc1-c1cn2cccnc2n1,0,0.0,
+O=c1oc2ccccc2cc1-c1nnc(-c2cccc(Br)c2)o1,0,0.0,
+O=c1oc2ccccc2cc1C1=Nn2c(nnc2-c2cccnc2)SC1,0,0.0,
+O=c1oc2ccccc2cc1NCc1ccccc1O,0,0.0,
+O=c1oc2ccccc2n1CCCCCn1c(=O)oc2ccccc21,0,0.0,
+O=c1oc2ccccc2n1CCCOc1ccccc1,0,0.0,
+O=c1oc2ccccc2n1CCc1ccccc1,0,0.0,
+O=c1oc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21,0,0.0,
+O=c1oc2ccccc2n1CSC1=NCCS1,0,0.0,
+O=c1oc2ccccc2n1CSc1nc2ccccc2s1,0,0.0,
+O=c1oc2ccccc2n1Cc1ccccc1Cl,0,0.0,
+O=c1oc2ccccc2n1Cn1c(=O)oc2ccccc21,0,0.0,
+O=c1sc(N2CCN(c3ccccc3F)CC2)nc2ccsc12,0,0.0,
+O=c1sc(Nc2ccccc2)nc2ccsc12,0,0.0,
+O=c1sc2ccccc2n1CCOc1ccccc1,0,0.0,
+O=c1sc2ccccc2n1COc1ccccc1,0,0.0,
+OC(C#CCN1CCCC1)c1ccccc1,1,100.0,0.0
+OC(C#CCN1CCCCC1)c1ccccc1,1,100.0,0.0
+OC(C#CCN1CCOCC1)(c1ccccc1)C1CC1,0,0.0,
+OC(C#CCN1CCOCC1)c1cccs1,0,0.0,
+OC(C#Cc1ccccn1)c1cccs1,0,0.0,
+OC(CCCCN1CCCCC1)c1ccccc1,0,0.0,
+OC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,0,0.0,
+OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,1,100.0,1.0
+OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,1,100.0,1.0
+OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1,1,100.0,1.0
+OC(CCN1CCOCC1)(c1ccc(Cl)cc1)C1CCCCC1,0,0.0,
+OC(CN(c1ccccc1)c1ccccc1)Cn1cnc2ccccc21,0,0.0,
+OC(CN1C2=NCCCN2c2ccccc21)c1ccc(Cl)cc1,0,0.0,
+OC(CN1C2=NCCCN2c2ccccc21)c1ccc2c(c1)OCO2,0,0.0,
+OC(CN1C2=NCCN2c2ccccc21)c1ccc(Br)cc1,0,0.0,
+OC(CN1C2=NCCN2c2ccccc21)c1ccc2c(c1)OCO2,0,0.0,
+OC(CN1C2=NCCN2c2ccccc21)c1ccccc1,0,0.0,
+OC(CN1CCCCC1)CN(c1ccccc1)c1ccccc1,1,100.0,1.0
+OC(CN1CCCCC1)Cn1c(C(F)(F)F)nc2ccccc21,0,0.0,
+OC(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c[nH]c2ccccc12,0,0.0,
+OC(CN1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc12,0,0.0,
+OC(CN1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCN2,0,0.0,
+OC(CN1CCN(c2ccccn2)CC1)Cn1c2ccccc2c2ccccc21,0,0.0,
+OC(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+OC(CN1CCOCC1)CN(c1ccccc1)c1ccccc1,0,0.0,
+OC(CN1CCOCC1)CN1CCOCC1,0,0.0,
+OC(CN1CCOCC1)Cn1c(-c2cccc(Cl)c2)nc2ccccc21,0,0.0,
+OC(CN1c2ccccc2Sc2ccccc21)Cn1nnc2ccccc21,0,0.0,
+OC(CNC1CCCCC1)CN1CCN(CC(O)CNC2CCCCC2)CC1,0,0.0,
+OC(CNC1CCCCC1)c1ccccc1,0,0.0,
+OC(CNCC(c1ccco1)N1CCCCC1)c1ccccc1,0,0.0,
+OC(CNCC1CCCO1)Cn1c2ccccc2c2ccccc21,0,0.0,
+OC(CNCC1COc2ccccc2O1)COCc1cccs1,0,0.0,
+OC(CNCCCN1CCCCC1)COc1ccccc1,0,0.0,
+OC(CNCCc1ccc(Cl)cc1)COCc1ccco1,0,0.0,
+OC(CNCCc1ccccc1)c1ccccc1,0,0.0,
+OC(CNCc1ccco1)COc1ccccc1,0,0.0,
+OC(CNCc1ccco1)Cn1c2ccccc2c2ccccc21,0,0.0,
+OC(CNc1nc2ccccc2s1)c1ccccc1,0,0.0,
+OC(COC1C2CC3CC(C2)CC1C3)CN1CCOCC1,0,0.0,
+OC(COC1CCCCC1)CN1CCN(c2ccccc2)CC1,0,0.0,
+OC(COCC1CC=CCC1)Cn1cnc2ccccc21,0,0.0,
+OC(COCC1COc2ccccc2O1)CN1CCN(c2ccccn2)CC1,0,0.0,
+OC(COCC1COc2ccccc2O1)CN1CCc2ccccc2C1,0,0.0,
+OC(COCc1ccc(Cl)cc1)CN1CC=C(c2ccccc2)CC1,1,100.0,1.0
+OC(COCc1ccc(Cl)cc1)CN1CCN(CC(O)COCc2ccc(Cl)cc2)CC1,1,100.0,1.0
+OC(COCc1ccccc1)CN1CCCC1,0,0.0,
+OC(COCc1ccccc1)CN1CCN(c2ccccc2)CC1,0,0.0,
+OC(COCc1ccccc1)CN1CCN(c2ccccc2F)CC1,0,0.0,
+OC(COCc1ccco1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1,1,100.0,1.0
+OC(COCc1cccs1)CN1CCCCCC1,0,0.0,
+OC(COCc1cccs1)CN1CCN(c2ccccn2)CC1,0,0.0,
+OC(COc1c(Br)cc(Br)cc1Br)CN1CCOCC1,0,0.0,
+OC(COc1c(Cl)cc(Cl)cc1Cl)CN1CCCCC1,0,0.0,
+OC(COc1c(F)cc(Br)cc1F)CN1CCN(c2ccc(F)cc2)CC1,0,0.0,
+OC(COc1ccc(Br)cc1)CN1CCOCC1,0,0.0,
+OC(COc1ccc(C2C=CCC2)cc1)CN1CCCCC1,1,100.0,1.0
+OC(COc1ccc(Cl)c2ccccc12)CN1CCN(c2ccccn2)CC1,0,0.0,
+OC(COc1ccc(Cl)cc1)CN1C2=NCCCN2c2ccccc21,0,0.0,
+OC(COc1ccc(Cl)cc1)CN1CCCCC1,0,0.0,
+OC(COc1ccc(OCC(O)CN2CCCCCC2)cc1)CN1CCCCCC1,0,0.0,
+OC(COc1ccc(OCc2ccccc2)cc1)CN1CCCCC1,1,100.0,1.0
+OC(COc1ccc(OCc2ccccc2)cc1)CN1CCOCC1,0,0.0,
+OC(COc1ccc2c(c1)CCC2)CN1CCN(c2ccccc2F)CC1,0,0.0,
+OC(COc1ccc2c(c1)OCO2)CN1CCc2ccccc2C1,0,0.0,
+OC(COc1ccc2cc(Br)ccc2c1)CN1CCCC1,0,0.0,
+OC(COc1ccc2cc(Br)ccc2c1)CN1CCN(c2ccccn2)CC1,0,0.0,
+OC(COc1ccc2ccccc2c1)CN1CCCC1,0,0.0,
+OC(COc1ccc2ccccc2c1)CN1CCN(c2ccc(F)cc2)CC1,0,0.0,
+OC(COc1ccc2ccccc2c1)CN1CCOCC1,0,0.0,
+OC(COc1ccc2ccccc2c1)Cn1ccnc1,0,0.0,
+OC(COc1ccc2ccccc2c1Br)Cn1ccnc1,0,0.0,
+OC(COc1ccc2ccccc2c1Cl)CN1CCOCC1,0,0.0,
+OC(COc1cccc(OCC(O)CN2CCCC2)c1)CN1CCCC1,0,0.0,
+OC(COc1cccc2ccccc12)CN1CCN(c2ccccn2)CC1,0,0.0,
+OC(COc1ccccc1)CN1C2=NCCCN2c2ccccc21,0,0.0,
+OC(COc1ccccc1)CSc1ncn[nH]1,0,0.0,
+OC(COc1ccccc1)Cn1cc(Br)cn1,0,0.0,
+OC(COc1ccccc1Cl)CN1CCN(CC(O)COc2ccccc2Cl)CC1,0,0.0,
+OC(Cc1ccccc1)(c1ccccc1)C1CN2CCC1CC2,1,100.0,1.0
+OC(Cc1nc2ccccc2[nH]1)c1ccccc1Cl,0,0.0,
+OC(Cn1cccn1)c1ccccc1,0,0.0,
+OC(Cn1ccnc1)c1ccc(Cl)cc1Cl,0,0.0,
+OC(Cn1cncn1)c1ccc(Cl)cc1Cl,0,0.0,
+OC(Cn1nnc2ccccc21)Cn1c(C(F)(F)F)nc2ccccc21,0,0.0,
+OC(c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1,0,0.0,
+OC(c1ccc(Cl)cc1Cl)C(Cc1cccnc1)n1cncn1,0,0.0,
+OC(c1ccc(F)cc1)C(c1ccccc1)N1CCOCC1,0,0.0,
+OC(c1ccc2c(c1)OCO2)c1nccc2ccccc12,0,0.0,
+OC(c1cccc(OCc2ccccc2)c1)c1nnc(-c2ccccc2)o1,0,0.0,
+OC(c1ccccc1)C1CN(Cc2ccccc2)CCC1(O)c1ccccc1,0,0.0,
+OC(c1ccccc1)c1nc2ccccc2s1,0,0.0,
+OC(c1ccccn1)c1c[nH]c2ccccc12,0,0.0,
+OC(c1cccnc1)c1cccs1,0,0.0,
+OC(c1cccs1)c1nccc2ccccc12,0,0.0,
+OC1(C(F)(F)F)CC(O)(C(F)(F)F)n2nc(-c3ccccc3)cc2N1,0,0.0,
+OC1(C2(O)CC(c3ccccc3)ON2)CCCCC1,0,0.0,
+OC1(CN2CCOCC2)C2CC3CC(C2)CC1C3,0,0.0,
+OC1(CN2CCOCC2)C2CN3CCN(C2)CC1(c1ccccc1)C3,0,0.0,
+OC1(Cc2ccn[nH]2)CCCCC1,0,0.0,
+OC1(c2ccc(Br)cc2)CCNCC1,0,0.0,
+OC1(c2ccc(F)cc2)CC2CCC(C1)N2Cc1nnnn1C1CCCC1,0,0.0,
+OC1(c2ccc(F)cc2)CC2CCC(C1)N2Cc1nnnn1C1CCCCC1,0,0.0,
+OC1(c2ccc(F)cc2)CCN(Cc2ccccc2)C1,0,0.0,
+OC1(c2ccc(F)cc2)CCN(Cc2nnnn2Cc2cccs2)CC1,0,0.0,
+OC1(c2ccc(F)cc2)CCNC1,0,0.0,
+OC1(c2ccc3c(c2)OCO3)CCN(Cc2ccccn2)CC1,0,0.0,
+OC1(c2cccc(C(F)(F)F)c2)CCN(c2ccc(-c3ccccc3)nn2)CC1,0,0.0,
+OC1(c2cccc(C(F)(F)F)c2)CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1,0,0.0,
+OC1(c2cccc(C(F)(F)F)c2)CCN(c2ncnc3c2[nH]c2ccccc23)CC1,0,0.0,
+OC1(c2cccc(C(F)(F)F)c2)CCNCC1,0,0.0,
+OC1(c2cccc(F)c2)CCN(Cc2ccncc2)CC1,0,0.0,
+OC1(c2ccccc2)C/C(=N\n2cnnc2)C=C1c1ccccc1,0,0.0,
+OC1(c2ccccc2F)CC2CCC(C1)N2CCN1CCOCC1,0,0.0,
+OC1(c2ccccc2F)CCN(Cc2nnc(-c3ccccc3)o2)CC1,0,0.0,
+OC1(c2ccccc2F)CCN(Cc2nnnn2CCc2ccccc2)CC1,0,0.0,
+OC1(c2cccnc2)CC2CCC(C1)N2Cc1nnnn1Cc1ccccc1,0,0.0,
+OC1(c2cccnc2)CCN(Cc2nnnn2C2CCCCC2)CC1,0,0.0,
+OC1(c2cn(Cc3ccccc3)nn2)CCCCC1,0,0.0,
+OC12CCCCC1C(c1ccc3c(c1)OCO3)N(Cc1ccc(F)cc1)CC2,0,0.0,
+OC12CCCCC1C(c1ccc3c(c1)OCO3)N(Cc1cccc(F)c1)CC2,0,0.0,
+OC12CCCCC1C(c1ccc3c(c1)OCO3)N(Cc1ccccc1F)CC2,0,0.0,
+OC12CCCCC1C(c1ccccc1)NCC2,0,0.0,
+OC12Oc3ccccc3C=C1N1CCC2CC1,0,0.0,
+OC1C=CSc2nc3ccccc3n21,0,0.0,
+OC1CC(c2ccco2)NC2(CCCCC2)C1,0,0.0,
+OC1CCCCC1Sc1nc2ccccc2s1,0,0.0,
+OC1CCCN(Cc2ccc3c(c2)Cc2ccccc2-3)C1,0,0.0,
+OC1CCCN(Cc2cccc3ccccc23)C1,0,0.0,
+OC1CCCN(c2c3c(nc4cc(-c5cccc(Cl)c5)nn24)CCC3)C1,0,0.0,
+OC1CCN(C(c2ccc3ncccc3c2)c2nnnn2C2CCCCC2)CC1,0,0.0,
+OC1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1,0,0.0,
+OC1CCN(c2ncnc3c2nnn3Cc2c(F)cccc2Cl)CC1,0,0.0,
+OC1CCN(c2ncnc3nc[nH]c23)CC1,0,0.0,
+OC1CN=C2C=CC=CN2C1,0,0.0,
+OC1CN=C2CCCc3c2n(c2ccc(Cl)cc32)C1,0,0.0,
+OC1CN=C2Sc3ccccc3N2C1,0,0.0,
+OC1CNCc2cc3c(cc21)OCCO3,0,0.0,
+OC1C[N+]2(CCCCC2)C1,0,0.0,
+OC1Cn2ccc[n+]2C1,0,0.0,
+OCC#CCSc1nnc(-c2ccc(Br)cc2)o1,0,0.0,
+OCC#CCSc1nnc(-c2ccccc2Br)o1,0,0.0,
+OCC#CCSc1nnc(-c2ccncc2)o1,0,0.0,
+OCC#Cc1cnc2ccccc2c1,0,0.0,
+OCC(C#CCN1CCCCC1)NCc1ccccc1,0,0.0,
+OCC(CO)(CO)N=Cc1c(O)ccc2ccccc12,0,0.0,
+OCC(CO)(CO)N=Cc1cc(Br)ccc1O,0,0.0,
+OCC(CO)(CO)n1cnnn1,0,0.0,
+OCC(O)CN1CCN(c2ccccc2)CC1,0,0.0,
+OCC1(C2=NOC(O)(C(F)(F)F)C2)CCCCC1,0,0.0,
+OCC1(CO)COC(c2cccnc2)N1,0,0.0,
+OCC1(CO)COC2(CCCC2)N1,0,0.0,
+OCC1(c2cc(C(F)(F)F)n[nH]2)CCCCC1,0,0.0,
+OCC12COC(c3ccccc3)N1C(c1ccccc1)OC2,0,0.0,
+OCC12COC3c4ccccc4C(OC1)N32,0,0.0,
+OCC1CCCN(Cc2ccc(-c3ccccc3)cc2)C1,1,100.0,1.0
+OCC1OC(n2nc3ccccc3n2)C(O)C(O)C1O,0,0.0,
+OCC1OC(n2nnc3ccccc32)C(O)C(O)C1O,0,0.0,
+OCCCCNc1cccc2ccccc12,0,0.0,
+OCCCN1c2ccccc2Nc2nnc(-c3ccccc3)cc21,0,0.0,
+OCCCNC(c1ccccc1)c1ccc(O)cc1,0,0.0,
+OCCCNCc1cccc2ccccc12,0,0.0,
+OCCCc1nc2ccccc2n1CCOc1ccccc1,0,0.0,
+OCCCc1nc2ccccc2n1CCc1ccccc1,0,0.0,
+OCCCc1nc2n(n1)C(c1ccccc1)C=C(c1ccc(F)cc1)N2,0,0.0,
+OCCCc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2,0,0.0,
+OCCCc1nc2n(n1)C(c1ccccc1Cl)C=C(c1cccs1)N2,0,0.0,
+OCCCc1nc2n(n1)C(c1cccs1)C=C(c1ccccc1)N2,1,100.0,
+OCCN(CC#CC(O)(c1ccccc1)C1CCCC1)CCO,0,0.0,
+OCCN(CC(O)Cn1ccc2ccccc21)CC(O)Cn1ccc2ccccc21,0,0.0,
+OCCN(CCO)CC(O)Cn1c2ccccc2c2ccccc21,0,0.0,
+OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1,1,100.0,
+OCCN(CCO)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3,0,0.0,
+OCCN(Cc1ccccc1)CC1CC2C=CC1C2,0,0.0,
+OCCN(Cc1ccccc1)CC1CC=CCC1,0,0.0,
+OCCN(Cc1ccccc1)CC1CCCCC1,0,0.0,
+OCCN(Cc1ccccc1)Cc1ccc(F)c(F)c1,0,0.0,
+OCCN(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1,0,0.0,
+OCCN(Cc1ccccc1)Cc1cccc(F)c1,0,0.0,
+OCCN(Cc1ccccc1)Cc1ccccc1Cl,0,0.0,
+OCCN(Cc1ccccc1)Cc1ccccc1F,0,0.0,
+OCCN(Cc1ccccc1)Cc1cn[nH]c1-c1ccc(F)cc1,0,0.0,
+OCCN1CCN(C(=S)c2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+OCCN1CCN(C(=S)c2ccc(Cl)cc2)CC1,0,0.0,
+OCCN1CCN(C(c2cccs2)c2ccc3cccnc3c2O)CC1,0,0.0,
+OCCN1CCN(CC#CCn2c3ccccc3c3ccccc32)CC1,0,0.0,
+OCCN1CCN(CC(O)COc2ccc3c(c2)OCO3)CC1,0,0.0,
+OCCN1CCN(CC(O)COc2ccc3ccccc3c2)CC1,0,0.0,
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,0,0.0,
+OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,1,100.0,1.0
+OCCN1CCN(CCSc2ccccc2)CC1,0,0.0,
+OCCN1CCN(Cc2cc(Br)cc(Br)c2O)CC1,0,0.0,
+OCCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1,1,100.0,1.0
+OCCN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1,0,0.0,
+OCCN1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1,0,0.0,
+OCCN1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1,0,0.0,
+OCCN1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCC4)CC1,0,0.0,
+OCCN1CCN(c2ncnc3ccc(Br)cc23)CC1,0,0.0,
+OCCN1CCN(c2ncnc3nc[nH]c23)CC1,0,0.0,
+OCCN1CCOCCN(CCO)CCN(CCO)CC1,0,0.0,
+OCCN1CCOCCN(CCO)CCOCC1,0,0.0,
+OCCN1CN=C(Nc2nc3ccccc3o2)NC1,0,0.0,
+OCCN1CN=C(Nc2nc3ccccc3s2)NC1,0,0.0,
+OCCN=C(c1ccccc1)C12CN3CN(CN(C3)C1)C2,1,100.0,0.0
+OCCNC1=NCCN1,0,0.0,
+OCCNCC(O)Cn1ccc2ccccc21,0,0.0,
+OCCNCC1(O)C2CC3CC(C2)CC1C3,0,0.0,
+OCCNCCCCCOc1ccc(F)cc1,0,0.0,
+OCCNCCCCOc1ccccc1F,0,0.0,
+OCCNCc1ccc(OC2CCCC2)cc1,0,0.0,
+OCCNc1c2c(nc3ccccc13)CCCC2,0,0.0,
+OCCNc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1,0,0.0,
+OCCNc1ccc(Cl)cc1,0,0.0,
+OCCNc1nc(-c2ccccc2)c2ccccc2n1,0,0.0,
+OCCNc1nc(-c2cccnc2)nc2ccccc12,0,0.0,
+OCCNc1nc(C2CC2)nc2c1nnn2Cc1ccccc1Cl,0,0.0,
+OCCNc1nc(N2CCN(Cc3ccccc3)CC2)nc2ccccc12,0,0.0,
+OCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1,0,0.0,
+OCCNc1nc(OCC(F)(F)F)nc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1,0,0.0,
+OCCNc1nc2ccc(Cl)cc2[nH]1,0,0.0,
+OCCNc1nc2ccccc2n1-c1ccccc1,0,0.0,
+OCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccco1,0,0.0,
+OCCNc1ncnc2c1ncn2Cc1ccccc1,0,0.0,
+OCCNc1ncnc2ccc(Br)cc12,0,0.0,
+OCCOCC#CCN1CCOCC1,0,0.0,
+OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,0,0.0,
+OCCOCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1,0,0.0,
+OCCOCCNc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+OCCOCCNc1ncnc2nc[nH]c12,0,0.0,
+OCCOCCOCCn1c2ccccc2c2ccccc21,0,0.0,
+OCCOCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2,0,0.0,
+OCCOCCn1c2ccccc2c2ccccc21,0,0.0,
+OCCOc1ccc(C2=NCCO2)cc1,0,0.0,
+OCCSc1c(F)c(SCCO)c(SCCO)c(F)c1SCCO,0,0.0,
+OCCSc1nc(-c2cccnc2)nc2ccccc12,0,0.0,
+OCCSc1ncnc2c1oc1ccccc12,0,0.0,
+OCCSc1nnc(Nc2ccccc2)s1,0,0.0,
+OCCSc1nncn1/N=C/c1c[nH]c2ccccc12,0,0.0,
+OCCc1ccc(-c2ccc(Cl)cc2)o1,0,0.0,
+OCCn1c(-c2ccc3c(c2)OCO3)csc1=Nc1ccccc1,0,0.0,
+OCCn1c(CSc2nc3ccccc3n2CCO)nc2ccccc21,0,0.0,
+OCCn1c(CSc2nnc(-c3ccco3)n2-c2ccccc2)nc2ccc(Cl)cc21,0,0.0,
+OCCn1c(SC2CCCCC2)nc2ccccc21,0,0.0,
+OCCn1c(SCCOc2ccccc2F)nc2ccccc21,0,0.0,
+OCCn1nc2c3ccccc3nc-2n(-c2ccccc2)c1=S,0,0.0,
+OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,0,0.0,
+OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,0,0.0,
+OCc1cc(CO)c(O)c(CCc2ccccc2)n1,0,0.0,
+OCc1ccccc1CNCc1ccccc1,0,0.0,
+OCc1ccccc1N=c1ssnc1Cl,0,0.0,
+OCc1ccccc1OCCOc1ccc(Cl)c2cccnc12,0,0.0,
+OCc1ccnc2c(O)cccc12,0,0.0,
+OCc1cn(-c2ccccc2)nc1-c1ccc(-c2nn(-c3ccccc3)cc2CO)cc1,0,0.0,
+OCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2,0,0.0,
+OCc1cn(-c2ccccc2)nc1-c1cccnc1,0,0.0,
+OCc1csc(=Nc2ccccc2)n1-c1ccccc1,0,0.0,
+OCc1n[nH]c(CO)n1,0,0.0,
+OCc1nc(CO)n(Cc2ccccc2)n1,0,0.0,
+OCc1nc2ccccc2n1C/C=C/c1ccccc1,0,0.0,
+OCc1nc2ccccc2n1CC(O)COc1ccccc1,0,0.0,
+OCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21,0,0.0,
+OCc1nc2ccccc2n1CCCOc1ccc(Br)cc1,0,0.0,
+OCc1nc2ccccc2n1CCCOc1ccccc1,0,0.0,
+OCc1nn2c(c1Br)NC(c1ccccc1)CC2C(F)(F)F,0,0.0,
+OCc1nnn(-c2cccc(C(F)(F)F)c2)c1CO,0,0.0,
+OCn1ncn(-c2ccccc2)c1=S,0,0.0,
+ON1C(c2ccc(Cl)cc2Cl)N(O)[C@H]2CCCC[C@H]21,0,0.0,
+ON1C(c2ccccc2)CC2(O)c3nonc3CCC12,0,0.0,
+ON1C(c2ccccc2C(F)(F)F)N(O)[C@H]2CCCC[C@H]21,0,0.0,
+ON1C2CCCCC2N(O)C1c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+ON=C1/C(=N\O)CC2(C/C1=N/O)OCCO2,0,0.0,
+ON=Cc1cccn1-c1ccccc1,0,0.0,
+ONC(=Nc1ccccc1)C(=Nc1ccccc1)NO,0,0.0,
+ONC=Nc1cccc2nonc12,0,0.0,
+O[C@@H]1C2CCCC1[C@]1(O)CCCCC1C2,0,0.0,
+O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1,0,0.0,
+O[C@H]1C2CCC1C(N1CCCCC1)CC2,0,0.0,
+Oc1[nH]c2ccccc2c1/C=N/c1nccs1,0,0.0,
+Oc1[nH]c2ccccc2c1C1=NCCCC1,0,0.0,
+Oc1[nH]c2ccccc2c1C=NCC1CCCO1,0,0.0,
+Oc1[nH]c2ccccc2c1C=Nc1ccc2c(c1)OCCO2,0,0.0,
+Oc1[nH]c2ccccc2c1C=Nc1ccc2c(c1)OCO2,0,0.0,
+Oc1[nH]c2ccccc2c1OCc1ccncc1,0,0.0,
+Oc1c(-c2cc(-c3ccco3)[nH]n2)ccc2ccccc12,0,0.0,
+Oc1c(/C=N/c2ncn[nH]2)ccc2ccccc12,0,0.0,
+Oc1c(C(Nc2ccccn2)c2ccccn2)ccc2cccnc12,1,100.0,0.0
+Oc1c(C(Nc2nc3ccccc3s2)c2ccco2)ccc2cccnc12,0,0.0,
+Oc1c(C(c2ccc(F)cc2)N2CCc3ccccc3C2)sc2ncnn12,0,0.0,
+Oc1c(C(c2cccc(F)c2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12,0,0.0,
+Oc1c(C(c2ccccc2)N2CCCCC2)sc2ncnn12,0,0.0,
+Oc1c(C(c2ccccc2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12,0,0.0,
+Oc1c(C(c2ccccc2)N2CCc3ccccc3C2)sc2ncnn12,0,0.0,
+Oc1c(C(c2ccccn2)N2CCOCC2)ccc2cccnc12,0,0.0,
+Oc1c(C(c2ccco2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12,0,0.0,
+Oc1c(C(c2ccco2)N2CCC3(CC2)OCCO3)sc2ncnn12,0,0.0,
+Oc1c(C(c2ccco2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12,1,100.0,1.0
+Oc1c(C(c2ccco2)N2CCOCC2)sc2ncnn12,0,0.0,
+Oc1c(C(c2cccs2)N2CCC3(CC2)OCCO3)sc2ncnn12,0,0.0,
+Oc1c(C(c2cccs2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12,0,0.0,
+Oc1c(C(c2cccs2)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnn12,0,0.0,
+Oc1c(C(c2cccs2)N2CCN(c3ccccc3)CC2)sc2ncnn12,0,0.0,
+Oc1c(C(c2cccs2)N2CCOCC2)sc2ncnn12,0,0.0,
+Oc1c(C=NCc2ccncc2)sc2ccccc12,0,0.0,
+Oc1c(C=Nc2cccnc2)sc2ccccc12,0,0.0,
+Oc1c(CN2CCCCC2)cc(Br)c2cccnc12,0,0.0,
+Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12,1,100.0,1.0
+Oc1c(CN2CCN(c3ccccn3)CC2)cc(Cl)c2cccnc12,1,100.0,0.0
+Oc1c(CN2CCOCC2)cc(-c2ccccc2)cc1CN1CCOCC1,0,0.0,
+Oc1c(CN2CCOCC2)cc(COCc2ccccc2)c2cccnc12,0,0.0,
+Oc1c(CN2CCc3ccccc3C2)cc(Cl)c2cccnc12,0,0.0,
+Oc1c(Cl)cc(Cl)c2c1NCCC2,0,0.0,
+Oc1c(Cl)cc(Cl)cc1CN1CCN(Cc2ccccc2)CC1,0,0.0,
+Oc1c(Cl)cc(Cl)cc1CNc1ccc(Br)cn1,0,0.0,
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,0,0.0,
+Oc1c(I)cc(Cl)c2cccnc12,0,0.0,
+Oc1c(I)cc(I)c2cccnc12,0,0.0,
+Oc1cc(Cc2ccccc2)cnc1CN1CCCCC1,0,0.0,
+Oc1cc(Cc2ccccc2)cnc1CN1CCOCC1,0,0.0,
+Oc1cc(NCc2cccnc2)ccc1-c1nc2ccccc2o1,0,0.0,
+Oc1cc2c(cc1CN1CCN(c3ccccc3)CC1)CCC2,0,0.0,
+Oc1cc2ccccc2cc1-c1n[nH]c(=S)o1,0,0.0,
+Oc1ccc(-c2[nH]ncc2-c2ccc(Cl)cc2)c(O)c1,0,0.0,
+Oc1ccc(-c2[nH]ncc2-c2cccc3cccnc23)c(O)c1,0,0.0,
+Oc1ccc(-c2cccc(-c3ccc(O)cc3)n2)cc1,0,0.0,
+Oc1ccc(-c2csc(NCc3ccco3)n2)cc1,0,0.0,
+Oc1ccc(-c2csc(Nc3cccnc3)n2)cc1,0,0.0,
+Oc1ccc(-c2n[nH]c(=S)n2Cc2ccccc2)cc1,0,0.0,
+Oc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1,0,0.0,
+Oc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+Oc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+Oc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc1,0,0.0,
+Oc1ccc(-c2nnc(-c3ccc(O)cc3)nn2)cc1,0,0.0,
+Oc1ccc(-c2nnc(SCC3CCCCC3)o2)cc1,0,0.0,
+Oc1ccc(-c2onc(C(F)(F)F)c2-c2cscn2)c(O)c1,0,0.0,
+Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,0,0.0,
+Oc1ccc(Br)cc1-c1cc(-c2ccccc2F)[nH]n1,0,0.0,
+Oc1ccc(Br)cc1-c1nc2cnccn2c1NC1CCCC1,0,0.0,
+Oc1ccc(Br)cc1/C=N/n1cnc2ccccc21,0,0.0,
+Oc1ccc(Br)cc1C1=CSC2=NCCN12,0,0.0,
+Oc1ccc(Br)cc1CN1CCCCCCC1,0,0.0,
+Oc1ccc(Br)cc1CN1CCN(c2ccccc2)CC1,0,0.0,
+Oc1ccc(Br)cc1CNn1cnnc1,0,0.0,
+Oc1ccc(C(=S)N2CCCCC2)cc1Cl,0,0.0,
+Oc1ccc(C(c2nnnn2C2CCCC2)N2CCc3ccccc3C2)cc1,0,0.0,
+Oc1ccc(C2NCc3ccccc3-n3cccc32)cc1Cl,1,100.0,0.0
+Oc1ccc(C=NCC2COc3ccccc3O2)cc1,0,0.0,
+Oc1ccc(C=Nc2ccc(N3CCOCC3)cc2)c(O)c1,0,0.0,
+Oc1ccc(C=Nc2ccc3ncccc3c2)c(O)c1,0,0.0,
+Oc1ccc(C=Nc2cccc3ncccc23)c(O)c1,0,0.0,
+Oc1ccc(CC2CC3CCN2CC3)cc1O,0,0.0,
+Oc1ccc(CN2CCCCC2)nc1-c1ccccc1,0,0.0,
+Oc1ccc(CN2CCCc3ccccc32)c2cccnc12,0,0.0,
+Oc1ccc(CN2CCN(Cc3ccccc3)CC2)c2cccnc12,0,0.0,
+Oc1ccc(CNC2CCCCC2)cc1,0,0.0,
+Oc1ccc(CNc2ccc(F)cc2)c2cccnc12,0,0.0,
+Oc1ccc(CNc2ccccc2)c2cccnc12,0,0.0,
+Oc1ccc(CNc2ccccc2F)c2cccnc12,0,0.0,
+Oc1ccc(COCc2ccccc2)c2cccnc12,0,0.0,
+Oc1ccc(Cl)cc1-c1cc(-c2ccccc2)n[nH]1,0,0.0,
+Oc1ccc(Cl)cc1/C=N/c1nc2ccccc2[nH]1,0,0.0,
+Oc1ccc(Cl)cc1/C=N/c1nccs1,0,0.0,
+Oc1ccc(Cl)cc1CNCC1CCCO1,0,0.0,
+Oc1ccc(Cl)cc1CNc1ccc(Br)cn1,0,0.0,
+Oc1ccc(N2CCN(C(c3cccnc3)c3nnnn3Cc3ccccc3)CC2)cc1,0,0.0,
+Oc1ccc(N2CCN(C(c3cccs3)c3nnnn3CCc3ccccc3)CC2)cc1,0,0.0,
+Oc1ccc(N2CCN(C(c3ccncc3)c3nnnn3C3CCCC3)CC2)cc1,0,0.0,
+Oc1ccc(N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1,0,0.0,
+Oc1ccc(N=Cc2ccc(-c3cccs3)s2)cc1,0,0.0,
+Oc1ccc(N=Cc2ccc(O)c(O)c2)cc1,0,0.0,
+Oc1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1,0,0.0,
+Oc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1,0,0.0,
+Oc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1,1,100.0,1.0
+Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1,0,0.0,
+Oc1ccc2[nH]ccc2c1,0,0.0,
+Oc1ccc2[nH]cnc2c1CN1CCCCC1,0,0.0,
+Oc1ccc2c(c1)C1CCCC1(N1CCOCC1)O2,0,0.0,
+Oc1ccc2c(c1)oc1cc(O)ccc12,0,0.0,
+Oc1ccc2ccccc2c1/C=N/n1cnnc1,0,0.0,
+Oc1ccc2ccccc2c1C=NC12CN3CCN(CN(C3)C1)C2,0,0.0,
+Oc1ccc2ccccc2c1C=NCc1cn2ccsc2n1,0,0.0,
+Oc1ccc2ccccc2c1CN1CCN(c2ccccc2F)CC1,0,0.0,
+Oc1ccc2cccnc2c1,0,0.0,
+Oc1ccc2nc(Cc3ccccc3)[nH]c2c1,0,0.0,
+Oc1ccc2oc3c(c2c1/C=N/n1cnnc1)CCCC3,0,0.0,
+Oc1cccc(-c2nc3ccccc3s2)c1,0,0.0,
+Oc1cccc(/C=N/c2c(-c3ccco3)nc3ccccn23)c1,0,0.0,
+Oc1cccc(C(=S)N2CCN(Cc3ccccc3)CC2)c1,0,0.0,
+Oc1cccc(C=NCc2ccccc2)c1O,0,0.0,
+Oc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1,1,100.0,1.0
+Oc1cccc(Nc2ncnc3ccccc23)c1,0,0.0,
+Oc1cccc2ccc(Nc3ccccn3)nc12,0,0.0,
+Oc1ccccc1-c1cc(-c2ccc3c(c2)OCCO3)n[nH]1,0,0.0,
+Oc1ccccc1-c1cc(-c2cccc(F)c2)n[nH]1,0,0.0,
+Oc1ccccc1-c1cc(-c2ccccc2Cl)[nH]n1,0,0.0,
+Oc1ccccc1-c1cc(C(F)(F)C(F)F)[nH]n1,0,0.0,
+Oc1ccccc1-c1cc(C(F)(F)C(F)F)nc(-c2ccccc2)n1,0,0.0,
+Oc1ccccc1-c1cc(C(F)(F)F)[nH]n1,0,0.0,
+Oc1ccccc1-c1nc(N2CCN(Cc3ccccc3)CC2)c2ccccc2n1,0,0.0,
+Oc1ccccc1-c1nc(NCC2CCCO2)c2ccccc2n1,0,0.0,
+Oc1ccccc1-c1nc(NCCN2CCOCC2)c2ccccc2n1,1,100.0,0.0
+Oc1ccccc1-c1nc(NCc2ccco2)c2ccccc2n1,0,0.0,
+Oc1ccccc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1,0,0.0,
+Oc1ccccc1-c1nnc(COc2ccc(Cl)cc2Cl)o1,0,0.0,
+Oc1ccccc1-c1nnc(COc2ccccc2)o1,0,0.0,
+Oc1ccccc1-c1nnc(SCCN2CCOCC2)n1Cc1ccccc1,0,0.0,
+Oc1ccccc1/C=N/c1c(-c2ccco2)nc2ccccn12,0,0.0,
+Oc1ccccc1C(=S)N1CCCCC1,0,0.0,
+Oc1ccccc1C(=S)N1CCCCCC1,0,0.0,
+Oc1ccccc1C1=NCCNC(C(F)(F)C(F)F)=C1,0,0.0,
+Oc1ccccc1C1=Nc2ccccc2N=C(c2ccco2)C1,0,0.0,
+Oc1ccccc1C1=Nc2nc3ccccc3n2C(c2ccccc2)C1,0,0.0,
+Oc1ccccc1C1=Nc2ncnn2C(c2ccc(F)cc2)C1,0,0.0,
+Oc1ccccc1C1=Nc2ncnn2C(c2ccccc2)C1,0,0.0,
+Oc1ccccc1C1Nc2cccc3cccc(c23)N1,0,0.0,
+Oc1ccccc1CN1CCCN(Cc2ccccc2O)C1,0,0.0,
+Oc1ccccc1CNCCCNCc1ccccc1O,0,0.0,
+Oc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1,0,0.0,
+Oc1ccccc1CNn1cnnc1,0,0.0,
+Oc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21,0,0.0,
+Oc1ccccc1N=Cc1ccc[nH]1,0,0.0,
+Oc1ccccc1NCC(O)Cn1ccc2ccccc21,0,0.0,
+Oc1ccccc1Nc1nc(NCC2CCCO2)c2ccccc2n1,0,0.0,
+Oc1ccccc1Nc1ncnc2c1oc1ccccc12,0,0.0,
+Oc1ccccc1OCc1nc2ccccc2s1,0,0.0,
+Oc1ccccc1Oc1ncc(Br)c(N2CCOCC2)n1,1,100.0,1.0
+Oc1cnc2ccccc2c1CN1CCOCC1,0,0.0,
+Oc1cnn(-c2ccccc2)c1,0,0.0,
+Oc1oc(-c2ccccc2)nc1C=NCc1ccncc1,0,0.0,
+Oc1oc(-c2ccco2)nc1C=Nc1cccc(Cl)c1,0,0.0,
+Oc1oc(-c2ccco2)nc1C=Nc1ccccc1,0,0.0,
+On1c(-c2ccco2)nc2c1CCc1nonc1-2,0,0.0,
+On1cnnc1-c1ccccc1,0,0.0,
+On1onc2c3cc(-c4ccccc4)nc3ccc21,0,0.0,
+S=C(N=Nc1ccccc1)NNc1ccccc1,0,0.0,
+S=C(NCC1CCCO1)n1nnc2ccccc21,0,0.0,
+S=C(Nc1ccccn1)c1ccccn1,0,0.0,
+S=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCOCC1,0,0.0,
+S=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCOCC1,0,0.0,
+S=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCOCC1,0,0.0,
+S=C(c1ccc(-c2ccccc2Cl)o1)N1CCOCC1,1,100.0,
+S=C(c1ccc(Cl)cc1)N1CCOCC1,0,0.0,
+S=C(c1ccc(N2CCCC2)cc1)N1CCCCC1,0,0.0,
+S=C(c1ccc(N2CCOCC2)cc1)N1CCCCC1,0,0.0,
+S=C(c1ccc(N2CCOCC2)cc1)N1CCOCC1,0,0.0,
+S=C(c1ccc2c(c1)OCO2)N1CCCC1,0,0.0,
+S=C(c1cccs1)N1CCCC1,0,0.0,
+S=C1SCN(CCN2CCOCC2)CN1Cc1ccccc1,0,0.0,
+S=C1SCN(Cc2ccccn2)CN1Cc1ccco1,0,0.0,
+S=P(c1ccc(N2CCOCC2)cc1N1CCOCC1)(N1CCOCC1)N1CCOCC1,0,0.0,
+S=c1[nH]c2ccc(Cl)cc2[nH]1,0,0.0,
+S=c1[nH]c2ncccc2o1,0,0.0,
+S=c1[nH]nc(-c2ccc(Br)cc2)n1Cc1ccco1,1,100.0,1.0
+S=c1[nH]nc(-c2ccc3ccccc3n2)o1,0,0.0,
+S=c1[nH]nc(-c2cccc(Br)c2)o1,0,0.0,
+S=c1[nH]nc(-c2ccccc2)n1C1C=CCCC1,0,0.0,
+S=c1[nH]nc(-c2ccccc2)n1CC1CCCO1,0,0.0,
+S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1,0,0.0,
+S=c1[nH]nc(-c2ccccc2Cl)n1CC1CCCO1,0,0.0,
+S=c1[nH]nc(-c2cccnc2)n1Cc1ccccc1,0,0.0,
+S=c1[nH]nc(-c2cccnc2)o1,0,0.0,
+S=c1[nH]nc(-c2ccco2)n1-c1cccc2ccccc12,0,0.0,
+S=c1[nH]nc(-c2ccco2)n1C1CCCCC1,0,0.0,
+S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1,0,0.0,
+S=c1[nH]nc(-c2ccncc2)n1CC1CCCO1,0,0.0,
+S=c1[nH]nc(-c2ccncc2)n1Cc1ccccc1,0,0.0,
+S=c1[nH]nc(-c2ccncc2)n1Cc1ccco1,0,0.0,
+S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1Cc1ccco1,0,0.0,
+S=c1[nH]nc(C2COc3ccccc3O2)o1,0,0.0,
+S=c1[nH]nc(COc2ccc(Cl)cc2)o1,0,0.0,
+S=c1[nH]nc(COc2ccc3c(c2)OCO3)n1-c1ccccc1,0,0.0,
+S=c1[nH]nc(COc2ccccc2)n1C1CCCCC1,0,0.0,
+S=c1[nH]nc(CSc2nc3ccccc3s2)o1,0,0.0,
+S=c1[nH]nc(Cc2c[nH]c3ccccc23)o1,0,0.0,
+S=c1[nH]nc(Cc2ccccc2)n1-c1ccccc1,0,0.0,
+S=c1[nH]nc(Cc2ccccc2)n1Cc1ccco1,1,100.0,1.0
+S=c1[nH]ncc2ccccc12,0,0.0,
+S=c1[nH]ncn1-c1ccccn1,0,0.0,
+S=c1[nH]ncn1/N=C/c1ccc(Br)cc1,0,0.0,
+S=c1[nH]ncn1/N=C/c1ccccc1,0,0.0,
+S=c1nc(-c2cccc(Br)c2)[nH][nH]1,0,0.0,
+S=c1nc(-c2ccccc2)[nH]n1-c1ccccc1,0,0.0,
+S=c1nc(-c2ccccc2)n(CCCN2CCOCC2)c2c1CCCC2,0,0.0,
+S=c1nc(-c2ccccc2)n(CCCn2ccnc2)c2c1CCCC2,0,0.0,
+S=c1nc(-c2ccccc2)n(CCN2CCOCC2)c2c1CCCC2,0,0.0,
+S=c1nc(-c2ccccc2)n(Cc2ccco2)c2c1CCCC2,0,0.0,
+S=c1nc(C2CC2)[nH]c2ccccc12,0,0.0,
+S=c1nc(C2CCCCC2)[nH][nH]1,0,0.0,
+S=c1nc2ccccc2c2nc(-c3ccccc3)[nH]n12,0,0.0,
+S=c1oc(-c2ccncc2)nn1CCc1ccncc1,0,0.0,
+S=c1sc2c(N3CCOCC3)ncnc2n1-c1ccccc1,0,0.0,
+[N-]=[N+]=CC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+[N-]=[N+]=CC(=O)CC(c1ccccc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+[N-]=[N+]=CC(=O)CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+[N-]=[N+]=CC(=O)CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O,0,0.0,
+[N-]=[N+]=CC(=O)OC[C@H](N)C(=O)O,0,0.0,
+[N-]=[N+]=CC(=O)c1ccnc(C(=O)C=[N+]=[N-])c1,1,100.0,
+[O-]/[N+](=C/c1ccc(F)cc1)c1ccccc1,0,0.0,
+[O-]/[N+](=C/c1cccnc1)c1ccc(Br)cc1,0,0.0,
+[O-]/[N+](=C\c1ccc(OC(F)F)cc1)c1ccccc1,0,0.0,
+[O-]/[N+](=C\c1ccccc1)[C@@H]1CCCC[C@@H]1/[N+]([O-])=C/c1ccccc1,0,0.0,
+[O-]/[N+](=C\c1ccncc1)c1ccc(Br)cc1,0,0.0,
+[O-]/[N+](=C\c1ccncc1)c1ccccc1,0,0.0,
+[O-][N+]12CCN(CC1)c1ccccc12,0,0.0,
+[O-][N+]12CC[N+]([O-])(CC1)c1ccccc12,0,0.0,
+[O-][N+]1=C(c2cccs2)CN(O)C1,0,0.0,
+[O-][N+]1=C2CCC/C(=N\O)C2=NC12CCCCC2,0,0.0,
+[O-][N+]1=C2CCc3nonc3C2(O)C2CCCC21N1CCOCC1,0,0.0,
+[O-][N+]1=c2ccc(Nc3ccccc3)cc2=NC12CCCCC2,0,0.0,
+[O-][n+]1c2c(nn1-c1ccccc1Cl)-c1nonc1CC2,0,0.0,
+[O-][n+]1c2ccc3nonc3c2nn1-c1ccccc1Cl,0,0.0,
+[O-][n+]1ccc(C2CC2)cc1,0,0.0,
+[O-][n+]1onc2c1C(N1CCOCC1)CCC2N1CCOCC1,0,0.0,
+[O-][n+]1onc2c1CCC1N(O)C(c3ccccc3)CC21O,0,0.0,
+[O-][n+]1onc2c1CCC1N(O)CCC21O,0,0.0,
+[O-][n+]1onc2c1CCc1c-2nc(-c2ccccc2)n1OCc1ccccc1,0,0.0,
+[O-][n+]1onc2c1CCc1c-2nn(-c2ccccc2Cl)[n+]1[O-],0,0.0,
+[O-][n+]1onc2c1CCc1nnc(-c3ccccc3)cc1-2,0,0.0,
+[O-][n+]1onc2c1CCc1nnccc1-2,0,0.0,
+c1c2c(cc3sc(N4CCCCC4)nc13)OCCO2,0,0.0,
+c1c2c(cc3sc(N4CCCCC4)nc13)OCO2,0,0.0,
+c1c2c(cc3sc(N4CCOCC4)nc13)OCCO2,0,0.0,
+c1c2c(cc3sc(N4CCOCC4)nc13)OCO2,0,0.0,
+c1cc(-c2nc3cc(Cc4ccc5oc(-c6ccncc6)nc5c4)ccc3o2)ccn1,0,0.0,
+c1cc(-c2nc3cc(Oc4ccc5oc(-c6ccncc6)nc5c4)ccc3o2)ccn1,0,0.0,
+c1cc(-c2nc3ccccc3o2)nc(-c2nc3ccccc3o2)c1,0,0.0,
+c1cc(-c2nn[nH]n2)ccc1CN1CCCCC1,0,0.0,
+c1cc(-c2nnc(-c3ccncc3)o2)ccn1,0,0.0,
+c1cc(-c2nnc3n2CCC3)[nH]n1,0,0.0,
+c1cc(-c2nnc3n2CCCCC3)ccn1,0,0.0,
+c1cc(-c2nnc3sc(C4CCCCC4)nn23)ccn1,0,0.0,
+c1cc(-c2noc(-c3ccc4c(c3)OCO4)n2)ccn1,0,0.0,
+c1cc(-c2noc(CC3CCCCC3)n2)ccn1,0,0.0,
+c1cc(-c2noc(CCC3CCCC3)n2)ccn1,0,0.0,
+c1cc(-n2cnnn2)ccc1NC1=NCCC1,0,0.0,
+c1cc(C(c2nnnn2C2CCCC2)N2CCOCC2)ccn1,0,0.0,
+c1cc(C(c2nnnn2C2CCCCC2)N2CCN3CCCC3C2)ccn1,0,0.0,
+c1cc(C2CCCCC2)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+c1cc(C2OCCN2CC2COC3(CCCC3)O2)ccn1,0,0.0,
+c1cc(CNC2=NCCCCC2)ccn1,0,0.0,
+c1cc(CNc2ccc3c(c2)OCCO3)ccn1,0,0.0,
+c1cc(CNc2ccc3c(c2)OCO3)ccn1,0,0.0,
+c1cc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)ccn1,0,0.0,
+c1cc(N2CCCC2)ccc1C(c1nnnn1C1CCCCC1)N1CCOCC1,0,0.0,
+c1cc(Nc2ncnc3sccc23)cc(-c2nnc3n2CCCCC3)c1,0,0.0,
+c1cc2[nH]snc2c2nc(C3CC3)nc12,0,0.0,
+c1cc2c(c(NCc3ccncc3)c1)CCCC2,0,0.0,
+c1cc2c(cc1-c1cnc3n1CCC3)OCCO2,0,0.0,
+c1cc2c(cc1C1=Nn3c(nnc3C3CCCCC3)SC1)OCO2,0,0.0,
+c1cc2c(cc1C1CCCN1)OCCCO2,1,100.0,1.0
+c1cc2c(cc1Cn1cnnn1)OCO2,0,0.0,
+c1cc2c(cc1Nc1nc(-c3ccc4c(c3)OCO4)cs1)OCCO2,0,0.0,
+c1cc2c(cc1Oc1nc(N3CCOCC3)nc(N3CCOCC3)n1)OCO2,0,0.0,
+c1cc2c(nn1)CCc1nonc1-2,0,0.0,
+c1cc2c3c(cccc3c1)C(N1CCCCC1)=N2,1,100.0,1.0
+c1cc2c3c(cccc3c1)NC1(CCCCCC1)N2,0,0.0,
+c1cc2cn[nH]c2cc1NC1CCCCCC1,0,0.0,
+c1cc2n(c1)-c1c(ccc3c1OCO3)CNC2c1ccc2c(c1)OCO2,1,100.0,1.0
+c1cc2nncn2nc1N1CCCC1,0,0.0,
+c1cc2nnnn2nc1N1CCCCC1,0,0.0,
+c1ccc(-c2[nH]ncc2-c2nc3ccccc3[nH]2)cc1,0,0.0,
+c1ccc(-c2c(-c3nc4ccccc4[nH]3)n[nH]c2-c2ccco2)cc1,0,0.0,
+c1ccc(-c2cc(-c3nc(-c4ccccn4)no3)c3ccccc3n2)cc1,0,0.0,
+c1ccc(-c2cc(-c3nc(-c4cccnc4)no3)c3ccccc3n2)cc1,0,0.0,
+c1ccc(-c2cc(-c3nn4c(-c5ccco5)nnc4s3)c3ccccc3n2)cc1,0,0.0,
+c1ccc(-c2cc(-c3nnc4sc(-c5ccccn5)nn34)[nH]n2)cc1,1,100.0,1.0
+c1ccc(-c2cc(CSc3nc4ccccc4[nH]3)on2)cc1,0,0.0,
+c1ccc(-c2cc(N3CCCCC3)ncn2)cc1,0,0.0,
+c1ccc(-c2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1,0,0.0,
+c1ccc(-c2cc3c(-n4cccc4)ncnc3o2)cc1,0,0.0,
+c1ccc(-c2cc3c(N4CCOCC4)ncnc3s2)cc1,1,100.0,0.0
+c1ccc(-c2cc3c(ccc4nonc43)nn2)cc1,0,0.0,
+c1ccc(-c2cc3c(nn2)CCc2nonc2-3)cc1,0,0.0,
+c1ccc(-c2ccc(-c3ccccn3)nn2)nc1,0,0.0,
+c1ccc(-c2ccc(-c3nc(-c4ccccn4)no3)cc2)cc1,0,0.0,
+c1ccc(-c2ccc(-c3nc(-c4cccnc4)no3)cc2)cc1,0,0.0,
+c1ccc(-c2ccc(-c3nc(-c4ccncc4)no3)cc2)cc1,0,0.0,
+c1ccc(-c2ccc(-n3ccnc3)cc2)cc1,0,0.0,
+c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,0,0.0,
+c1ccc(-c2ccc(CN3CCN(c4ncccn4)CC3)cc2)cc1,0,0.0,
+c1ccc(-c2ccc(OCCCn3cncn3)cc2)cc1,0,0.0,
+c1ccc(-c2ccc(OCCOCCn3cncn3)cc2)cc1,0,0.0,
+c1ccc(-c2cccc(-c3ccccn3)n2)nc1,0,0.0,
+c1ccc(-c2ccccc2-c2nc(-c3cccnc3)no2)cc1,0,0.0,
+c1ccc(-c2ccccc2-c2nc(-c3ccncc3)no2)cc1,0,0.0,
+c1ccc(-c2ccccc2-n2cnnn2)cc1,0,0.0,
+c1ccc(-c2ccccc2OCCn2cncn2)cc1,0,0.0,
+c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1,0,0.0,
+c1ccc(-c2cn3cccnc3n2)cc1,0,0.0,
+c1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1,0,0.0,
+c1ccc(-c2cnc(-c3cccnc3)o2)cc1,0,0.0,
+c1ccc(-c2cnc(CSc3ncnc4sccc34)o2)cc1,0,0.0,
+c1ccc(-c2cnc(CSc3nnc4ccccn34)o2)cc1,0,0.0,
+c1ccc(-c2cnn3nnnc3n2)cc1,0,0.0,
+c1ccc(-c2cnnc(N3CCCCC3)n2)cc1,0,0.0,
+c1ccc(-c2cnnc(SCc3cn4cccnc4n3)n2)cc1,0,0.0,
+c1ccc(-c2csc(-n3cnnn3)n2)cc1,0,0.0,
+c1ccc(-c2csc(N3CCCCCC3)n2)cc1,0,0.0,
+c1ccc(-c2csc(N3CCN(c4ccccn4)CC3)n2)cc1,0,0.0,
+c1ccc(-c2csc(Nc3cccnc3)n2)nc1,0,0.0,
+c1ccc(-c2csc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)n2)cc1,0,0.0,
+c1ccc(-c2csc3ncn4cnnc4c23)cc1,0,0.0,
+c1ccc(-c2csc3ncn4nnnc4c23)cc1,0,0.0,
+c1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1,0,0.0,
+c1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCCO5)n23)cc1,0,0.0,
+c1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCO5)n23)cc1,0,0.0,
+c1ccc(-c2n[nH]c(-c3ccccn3)n2)nc1,0,0.0,
+c1ccc(-c2n[nH]c3c2CCC3)cc1,0,0.0,
+c1ccc(-c2n[nH]c3ccccc23)cc1,0,0.0,
+c1ccc(-c2n[nH]nc2-c2ccccc2)cc1,0,0.0,
+c1ccc(-c2nc(-c3ccco3)cs2)nc1,0,0.0,
+c1ccc(-c2nc(-c3ccncc3)no2)cc1,0,0.0,
+c1ccc(-c2nc(-n3ccnc3)nc(-n3ccnc3)n2)cc1,0,0.0,
+c1ccc(-c2nc(C3CCCCC3)no2)cc1,0,0.0,
+c1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1,0,0.0,
+c1ccc(-c2nc(CSc3nnnn3-c3ccccc3)cs2)cc1,0,0.0,
+c1ccc(-c2nc(N3CCCCCC3)c3ccccc3n2)nc1,0,0.0,
+c1ccc(-c2nc(N3CCCCCC3)nc(-n3ccnc3)n2)cc1,0,0.0,
+c1ccc(-c2nc(N3CCN(c4ccccc4)CC3)nc(-n3ccnc3)n2)cc1,0,0.0,
+c1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)nc1,0,0.0,
+c1ccc(-c2nc(NC3CC3)nc(-n3ccnc3)n2)cc1,0,0.0,
+c1ccc(-c2nc(NCC3CCCO3)c3ccccc3n2)nc1,0,0.0,
+c1ccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1,0,0.0,
+c1ccc(-c2nc(NCc3cccnc3)c3oc4ccccc4c3n2)cc1,0,0.0,
+c1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)nc1,0,0.0,
+c1ccc(-c2nc(Sc3ncnc4c3cnn4-c3ccccc3)n[nH]2)cc1,0,0.0,
+c1ccc(-c2nc3c4ccccc4nc(N4CCN(c5ccccn5)CC4)n3n2)cc1,0,0.0,
+c1ccc(-c2nc3cc(Cc4ccc5oc(-c6ccccn6)nc5c4)ccc3o2)nc1,0,0.0,
+c1ccc(-c2nc3cc(Oc4ccc5oc(-c6ccccn6)nc5c4)ccc3o2)nc1,0,0.0,
+c1ccc(-c2nc3ccccc3c3nncn23)cc1,0,0.0,
+c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1,0,0.0,
+c1ccc(-c2nc3ccccc3nc2N2CCOCC2)cc1,0,0.0,
+c1ccc(-c2nc3ccccc3o2)nc1,0,0.0,
+c1ccc(-c2nc3ccccc3s2)nc1,0,0.0,
+c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1,0,0.0,
+c1ccc(-c2nc3nonc3c3nc4ccccc4n23)cc1,0,0.0,
+c1ccc(-c2nc3nonc3nc2-c2ccccc2)cc1,0,0.0,
+c1ccc(-c2nc[nH]c2-c2ccccc2)cc1,0,0.0,
+c1ccc(-c2ncnc3nc4n(c23)CCC4)cc1,0,0.0,
+c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,0,0.0,
+c1ccc(-c2nn3c(-c4ccco4)nnc3s2)nc1,0,0.0,
+c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)nc1,0,0.0,
+c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1,0,0.0,
+c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)nc1,0,0.0,
+c1ccc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)cc1,0,0.0,
+c1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,0,0.0,
+c1ccc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,0,0.0,
+c1ccc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)nc1,0,0.0,
+c1ccc(-c2nn3nnnc3c3ccccc23)cc1,0,0.0,
+c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccccc5)o4)c3)o2)cc1,0,0.0,
+c1ccc(-c2nnc(-c3ccccn3)nn2)nc1,0,0.0,
+c1ccc(-c2nnc(-c3ccco3)n2-c2ccccc2)cc1,0,0.0,
+c1ccc(-c2nnc(-c3ccco3)o2)cc1,0,0.0,
+c1ccc(-c2nnc(CN3CCC4(CC3)OCCO4)o2)cc1,0,0.0,
+c1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1,0,0.0,
+c1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1,0,0.0,
+c1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1,0,0.0,
+c1ccc(-c2nnc(CSc3nnc(-c4ccncc4)n3Cc3ccco3)o2)cc1,0,0.0,
+c1ccc(-c2nnc(CSc3nncs3)o2)cc1,0,0.0,
+c1ccc(-c2nnc(Cn3c4ccccc4c4nc5ccccc5nc43)o2)cc1,0,0.0,
+c1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1,1,100.0,1.0
+c1ccc(-c2nnc(N3CCOCC3)nc2-c2ccccc2)cc1,0,0.0,
+c1ccc(-c2nnc(OCCN3CCOCC3)c3ccccc23)cc1,0,0.0,
+c1ccc(-c2nnc(SCc3cn4ccsc4n3)o2)cc1,0,0.0,
+c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)nc1,0,0.0,
+c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)cc1,0,0.0,
+c1ccc(-c2nnc3ccc(N4CCC5(CC4)OCCO5)nn23)cc1,0,0.0,
+c1ccc(-c2nnc3n2N=C(c2ccc4c(c2)OCO4)CS3)nc1,0,0.0,
+c1ccc(-c2nnc3n2NC(c2ccc4c(c2)OCO4)S3)cc1,0,0.0,
+c1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)cc1,0,0.0,
+c1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1,0,0.0,
+c1ccc(-c2nnc3sc(-c4csc5c4CCCC5)nn23)cc1,0,0.0,
+c1ccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)cc1,0,0.0,
+c1ccc(-c2nnc3sc(CN4CCc5ccccc54)cn23)cc1,0,0.0,
+c1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1,0,0.0,
+c1ccc(-c2nnn(C34CC5CC(CC(C5)C3)C4)n2)cc1,0,0.0,
+c1ccc(-c2nnnn2CCOCCn2nnnc2-c2ccccc2)cc1,0,0.0,
+c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)nc1,0,0.0,
+c1ccc(-c2noc(-c3ccc4ccccc4c3)n2)cc1,0,0.0,
+c1ccc(-c2noc(-c3ccc4ccccc4c3)n2)nc1,0,0.0,
+c1ccc(-c2noc(-c3cccc4ccccc34)n2)cc1,0,0.0,
+c1ccc(-c2noc(-c3cccc4ccccc34)n2)nc1,0,0.0,
+c1ccc(-c2noc(-c3cccnc3)n2)cc1,0,0.0,
+c1ccc(-c2noc(-c3cccnc3)n2)nc1,0,0.0,
+c1ccc(-c2noc(-c3ccco3)n2)nc1,0,0.0,
+c1ccc(-c2noc(-c3cccs3)n2)nc1,0,0.0,
+c1ccc(-c2noc(-c3ccncc3)n2)nc1,0,0.0,
+c1ccc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)nc1,0,0.0,
+c1ccc(-c2noc(C3CCCCC3)n2)nc1,0,0.0,
+c1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1,0,0.0,
+c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,0,0.0,
+c1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1,0,0.0,
+c1ccc(-c2noc(CSc3nc4ccccc4o3)n2)cc1,0,0.0,
+c1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3-c3ccccc3)n2)cc1,0,0.0,
+c1ccc(-c2noc(CSc3nnnn3-c3ccccc3)n2)cc1,0,0.0,
+c1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1,0,0.0,
+c1ccc(-c2oc3ncnc(N4CCOCC4)c3c2-c2ccccc2)cc1,0,0.0,
+c1ccc(-c2oc3ncnc(NCCCN4CCOCC4)c3c2-c2ccccc2)cc1,0,0.0,
+c1ccc(-c2oc3ncnc(NCCCn4ccnc4)c3c2-c2ccccc2)cc1,1,100.0,0.0
+c1ccc(-c2oc3ncnc(NCCN4CCOCC4)c3c2-c2ccccc2)cc1,0,0.0,
+c1ccc(-c2onc3cc4c(cc23)OCCO4)cc1,0,0.0,
+c1ccc(-n2c(-c3ccco3)nnc2N2CCOCC2)cc1,0,0.0,
+c1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1,0,0.0,
+c1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1,0,0.0,
+c1ccc(-n2c(-c3ccncc3)nnc2N2CCOCC2)cc1,0,0.0,
+c1ccc(-n2c(Cc3cccnc3)nc3cnccc32)cc1,0,0.0,
+c1ccc(-n2c(Cc3cn4ccsc4n3)nnc2N2CCOCC2)cc1,0,0.0,
+c1ccc(-n2c(SCC3CCCCO3)nnc2-c2cccs2)cc1,0,0.0,
+c1ccc(-n2c(SCC3CCCCO3)nnc2-c2cnccn2)cc1,0,0.0,
+c1ccc(-n2c(SCc3ccncc3)nnc2-c2ccco2)cc1,0,0.0,
+c1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccco2)cc1,0,0.0,
+c1ccc(-n2c(Sc3cnccn3)nnc2-c2cccs2)cc1,0,0.0,
+c1ccc(-n2cccc2CNC2CCCCC2)cc1,0,0.0,
+c1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1,0,0.0,
+c1ccc(-n2cnnc2SCc2cn3ccccc3n2)cc1,0,0.0,
+c1ccc(-n2cnnc2SCc2cn3ccsc3n2)cc1,0,0.0,
+c1ccc(-n2cnnc2SCc2nc3ccccc3s2)cc1,0,0.0,
+c1ccc(-n2nc3c(ccc4cnnc43)[nH]2)cc1,0,0.0,
+c1ccc(-n2ncc(-c3nn[nH]n3)n2)cc1,0,0.0,
+c1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)nc(N4CCCCC4)nc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)nc(N4CCCCCC4)nc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)nc(N4CCOCC4)nc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(NCC4CCCO4)ncnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(NCCN4CCCCC4)ncnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c2ncn2c(C4CCCCC4)nnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c2ncn2c(CSc4nc5ccccc5s4)nnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c2ncn2cnnc32)cc1,0,0.0,
+c1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1,0,0.0,
+c1ccc(-n2ncc3c2ncn2nc(CSc4nc5ccccc5s4)nc32)cc1,0,0.0,
+c1ccc(-n2ncc3c2ncn2nnnc32)cc1,0,0.0,
+c1ccc(-n2nnc3c(N4CCOCC4)ncnc32)cc1,0,0.0,
+c1ccc(-n2nnc3ccccc32)nc1,0,0.0,
+c1ccc(-n2nnc3cnccc32)cc1,0,0.0,
+c1ccc(-n2nnnc2-n2ccnc2)cc1,0,0.0,
+c1ccc(-n2nnnc2-n2cnc3ccccc32)cc1,0,0.0,
+c1ccc(-n2nnnc2-n2nnc3ccccc32)cc1,0,0.0,
+c1ccc(-n2nnnc2N2CCOCC2)cc1,0,0.0,
+c1ccc(-n2nnnc2NCCc2c[nH]c3ccccc23)cc1,0,0.0,
+c1ccc(-n2nnnc2OCCOc2nnnn2-c2ccccc2)cc1,0,0.0,
+c1ccc(-n2nnnc2Oc2ccc(-c3nnco3)cc2)cc1,0,0.0,
+c1ccc(-n2nnnc2Oc2ccc(-n3ccnc3)cc2)cc1,0,0.0,
+c1ccc(-n2nnnc2Oc2cccc3cccnc23)cc1,0,0.0,
+c1ccc(-n2nnnc2SCCCSc2nc3ccccc3s2)cc1,0,0.0,
+c1ccc(-n2nnnc2SCc2cccc3nsnc23)cc1,0,0.0,
+c1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1,0,0.0,
+c1ccc(-n2nnnc2SCc2cn3cccnc3n2)cc1,0,0.0,
+c1ccc(-n2nnnc2Sc2n[nH]c(-c3ccncc3)n2)cc1,0,0.0,
+c1ccc(C(CN2CCOCC2)c2ccccc2)cc1,0,0.0,
+c1ccc(C(Cc2nc(-c3ccccn3)no2)c2ccccc2)cc1,0,0.0,
+c1ccc(C(Cc2nc(-c3cccnc3)no2)c2ccccc2)cc1,0,0.0,
+c1ccc(C(Cc2nc(-c3ccncc3)no2)c2ccccc2)cc1,0,0.0,
+c1ccc(C(OCCN2CCNCC2)c2ccccc2)cc1,1,100.0,1.0
+c1ccc(C(c2ccccc2)N2CCN(Cc3nnnn3C3CCCC3)CC2)cc1,0,0.0,
+c1ccc(C(c2nnnn2C2CCCC2)N2CCCCCC2)nc1,0,0.0,
+c1ccc(C(c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)nc1,0,0.0,
+c1ccc(C(c2nnnn2Cc2ccco2)N2CCN(C3CCCC3)CC2)cc1,0,0.0,
+c1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1,0,0.0,
+c1ccc(C2(Cn3ccc4ccccc43)OCCO2)cc1,0,0.0,
+c1ccc(C2(c3ccccc3)OCC(Cn3cncn3)O2)cc1,0,0.0,
+c1ccc(C2=NC(N3CCOCC3)=NP(N3CCOCC3)(N3CCOCC3)=N2)cc1,0,0.0,
+c1ccc(C2=NCCCN2)cc1,0,0.0,
+c1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)n[nH]3)SC2)cc1,0,0.0,
+c1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1,0,0.0,
+c1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1,0,0.0,
+c1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1,0,0.0,
+c1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1,0,0.0,
+c1ccc(C2C3=C(CCCC3)Nc3ncnn32)cc1,0,0.0,
+c1ccc(C2C3=C(Nc4ncnn42)c2ccccc2CCC3)cc1,0,0.0,
+c1ccc(C2CC(c3ccccc3)n3ncnc3N2)cc1,0,0.0,
+c1ccc(C2CC(c3cccs3)n3nnnc3N2)cc1,0,0.0,
+c1ccc(C2CC3CC(c4ccco4)N2O3)cc1,0,0.0,
+c1ccc(C2CC3CC4(CCCC4)N2O3)cc1,0,0.0,
+c1ccc(C2COC(c3cccs3)=N2)cc1,0,0.0,
+c1ccc(C2NCCn3cccc32)cc1,0,0.0,
+c1ccc(C2NCc3ccccc3-n3cccc32)cc1,0,0.0,
+c1ccc(C2Nc3ccccc3-c3nc4ccccc4n32)nc1,0,0.0,
+c1ccc(CC2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1,0,0.0,
+c1ccc(CC2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1,0,0.0,
+c1ccc(CC2CCN(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)CC2)cc1,0,0.0,
+c1ccc(CC2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1,0,0.0,
+c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,0,0.0,
+c1ccc(CC2CNc3ccccc3CN2)cc1,0,0.0,
+c1ccc(CCC2=NCCn3cccc32)cc1,0,0.0,
+c1ccc(CCCNc2ncnc3nc[nH]c23)cc1,0,0.0,
+c1ccc(CCCc2nc(-c3ccccn3)no2)cc1,0,0.0,
+c1ccc(CCN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1,0,0.0,
+c1ccc(CCN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1,0,0.0,
+c1ccc(CCN2CN(CCCN3CCOCC3)c3nc4ccccc4n3C2)cc1,1,100.0,0.0
+c1ccc(CCN2CN=C(Nc3nc4ccccc4o3)NC2)cc1,0,0.0,
+c1ccc(CCNC2=NCCCS2)cc1,0,0.0,
+c1ccc(CCNc2c3c(nc4ncnn24)CCC3)cc1,0,0.0,
+c1ccc(CCNc2ccc3nncn3n2)cc1,0,0.0,
+c1ccc(CCNc2nc3ccccc3n3nnnc23)cc1,0,0.0,
+c1ccc(CCNc2ncnc3c2cnn3-c2ccccc2)cc1,0,0.0,
+c1ccc(CCNc2ncnc3c2nnn3Cc2ccccc2)cc1,0,0.0,
+c1ccc(CCNc2ncnc3nc[nH]c23)cc1,0,0.0,
+c1ccc(CCc2ccccc2-c2nc(-c3ccccn3)no2)cc1,0,0.0,
+c1ccc(CCc2ccccc2-c2nc(-c3cccnc3)no2)cc1,0,0.0,
+c1ccc(CCc2nc(-c3ccccn3)no2)cc1,0,0.0,
+c1ccc(CCc2nc(-c3cccnc3)no2)cc1,0,0.0,
+c1ccc(CCc2nc(-c3ccncc3)no2)cc1,0,0.0,
+c1ccc(CCc2nn3c(-c4ccncc4)nnc3s2)cc1,0,0.0,
+c1ccc(CCc2nn3c(C4COc5ccccc5O4)nnc3s2)cc1,0,0.0,
+c1ccc(CCc2nn3c(Cc4ccccc4)nnc3s2)cc1,0,0.0,
+c1ccc(CCc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,0,0.0,
+c1ccc(CCc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,0,0.0,
+c1ccc(CCn2nnnc2C(c2ccccn2)N(Cc2ccco2)Cc2cccs2)cc1,0,0.0,
+c1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+c1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(c3nc4ccccc4s3)CC2)cc1,0,0.0,
+c1ccc(CCn2nnnc2C(c2cccs2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+c1ccc(CCn2nnnc2C(c2cccs2)N2CCOCC2)cc1,0,0.0,
+c1ccc(CCn2nnnc2CN2CCC(n3nnc4ccccc43)CC2)cc1,0,0.0,
+c1ccc(CCn2nnnc2CN2CCCc3ccccc32)cc1,0,0.0,
+c1ccc(CCn2nnnc2CN2CCN(C3CCCC3)CC2)cc1,0,0.0,
+c1ccc(CCn2nnnc2CN2CCc3ccccc32)cc1,0,0.0,
+c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,0,0.0,
+c1ccc(CN(Cc2ccco2)C(c2ccncc2)c2nnnn2C2CCCC2)cc1,0,0.0,
+c1ccc(CN2C3=NCCCN3c3ccccc32)cc1,0,0.0,
+c1ccc(CN2CCC(N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1,1,100.0,1.0
+c1ccc(CN2CCC3(CC2)Nc2ccccc2CO3)cc1,1,100.0,
+c1ccc(CN2CCN(CCCNc3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1,0,0.0,
+c1ccc(CN2CCN(CCN3CCn4c3nc3ccccc34)CC2)cc1,1,100.0,1.0
+c1ccc(CN2CCN(c3nc(-c4ccccc4)nc(-n4ccnc4)n3)CC2)cc1,0,0.0,
+c1ccc(CN2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1,0,0.0,
+c1ccc(CN2CCN(c3nc4ccccc4n4cnnc34)CC2)cc1,0,0.0,
+c1ccc(CN2CCN(c3ncccn3)CC2)nc1,0,0.0,
+c1ccc(CN2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1,1,100.0,
+c1ccc(CN2CCN(c3ncnc4nc[nH]c34)CC2)cc1,0,0.0,
+c1ccc(CNC2=NCCC2)nc1,0,0.0,
+c1ccc(CNC2=NCCCC2)cc1,0,0.0,
+c1ccc(CNC2=NCCCCC2)cc1,0,0.0,
+c1ccc(CNCCN2CCNCC2)nc1,0,0.0,
+c1ccc(CNc2c3c(nc4ncnn24)CCCC3)nc1,0,0.0,
+c1ccc(CNc2ccc3c(c2)ncn3C2CCCCC2)nc1,1,100.0,0.0
+c1ccc(CNc2ccc3ccccc3n2)nc1,0,0.0,
+c1ccc(CNc2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)cc1,0,0.0,
+c1ccc(CNc2nc3ccccc3[nH]2)cc1,0,0.0,
+c1ccc(CNc2nc3ccccc3n3cnnc23)nc1,0,0.0,
+c1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1,0,0.0,
+c1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1,0,0.0,
+c1ccc(CNc2ncnc3ccccc23)cc1,0,0.0,
+c1ccc(CNc2ncnc3nc[nH]c23)nc1,0,0.0,
+c1ccc(CNn2c(N3CCOCC3)nc3ccccc32)cc1,0,0.0,
+c1ccc(CNn2nnnc2-c2ccccc2)cc1,0,0.0,
+c1ccc(COc2ccc(CNn3cnnc3)cc2)cc1,0,0.0,
+c1ccc(COc2ccc(Nc3ncnc4nc[nH]c34)cc2)cc1,0,0.0,
+c1ccc(COc2ccc(OCCCn3cncn3)cc2)cc1,0,0.0,
+c1ccc(COc2ccc(OCCOCCn3cncn3)cc2)cc1,0,0.0,
+c1ccc(COc2ccc(OCCn3cncn3)cc2)cc1,0,0.0,
+c1ccc(COc2ccc(Oc3nc(N4CCCCC4)nc(N4CCOCC4)n3)nn2)cc1,0,0.0,
+c1ccc(COc2cccc(CN3CCN(c4ccccn4)CC3)c2)cc1,0,0.0,
+c1ccc(COc2cccc(CNn3cnnc3)c2)cc1,0,0.0,
+c1ccc(COc2nsnc2N2CCOCC2)cc1,0,0.0,
+c1ccc(COn2c(-c3ccccc3)nc3c2CCc2nonc2-3)cc1,0,0.0,
+c1ccc(COn2nnc3ccccc32)c(COn2nnc3ccccc32)c1,0,0.0,
+c1ccc(CSCc2cn3ccsc3n2)cc1,0,0.0,
+c1ccc(CSc2cn3c(n2)CCC3)cc1,0,0.0,
+c1ccc(CSc2ncccn2)cc1,0,0.0,
+c1ccc(CSc2ncn(-c3ccccc3)n2)cc1,0,0.0,
+c1ccc(CSc2ncnn2Cc2ccccc2)cc1,0,0.0,
+c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1,0,0.0,
+c1ccc(CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1,0,0.0,
+c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1,0,0.0,
+c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1,0,0.0,
+c1ccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1,0,0.0,
+c1ccc(CSc2nnc(-c3cccs3)o2)cc1,0,0.0,
+c1ccc(CSc2nnc(Cc3ccccn3)o2)cc1,0,0.0,
+c1ccc(CSc2nnc(NC3=NCCCCC3)s2)cc1,0,0.0,
+c1ccc(CSc2nnc(SCc3ccccn3)s2)nc1,0,0.0,
+c1ccc(CSc2nnc3c(n2)OC(c2ccco2)Nc2ccccc2-3)cc1,0,0.0,
+c1ccc(CSc2nncn2-c2ccccn2)cc1,0,0.0,
+c1ccc(CSc2nnnn2-c2ccc3c(c2)OCCO3)nc1,0,0.0,
+c1ccc(CSc2nnnn2-c2cccc3ccccc23)nc1,0,0.0,
+c1ccc(Cc2ccc(OCCn3cncn3)cc2)cc1,0,0.0,
+c1ccc(Cc2nc(-c3ccccn3)no2)cc1,0,0.0,
+c1ccc(Cc2nc3ccccc3n2CCN2CCOCC2)cc1,0,0.0,
+c1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1,0,0.0,
+c1ccc(Cc2nn3c(COc4ccccc4)nnc3s2)cc1,0,0.0,
+c1ccc(Cc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,0,0.0,
+c1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,0,0.0,
+c1ccc(Cc2nn[nH]n2)cc1,0,0.0,
+c1ccc(Cc2nnc(-c3ccccc3)o2)cc1,0,0.0,
+c1ccc(Cc2nnc3n2CCCCC3)cc1,0,0.0,
+c1ccc(Cc2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc1,0,0.0,
+c1ccc(Cc2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1,0,0.0,
+c1ccc(Cc2nnc3sc(-c4ccccn4)nn23)cc1,0,0.0,
+c1ccc(Cc2nnc3sc(-c4cccnc4)nn23)cc1,0,0.0,
+c1ccc(Cc2nnc3sc(-c4ccco4)nn23)cc1,0,0.0,
+c1ccc(Cc2nnc3sc(-c4cccs4)nn23)cc1,0,0.0,
+c1ccc(Cc2nnc3sc(-c4ccncc4)nn23)cc1,0,0.0,
+c1ccc(Cc2nnc3sc(C4COc5ccccc5O4)nn23)cc1,0,0.0,
+c1ccc(Cc2nnc3sc(Nc4ccccc4)nn23)cc1,0,0.0,
+c1ccc(Cn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1,0,0.0,
+c1ccc(Cn2c(-c3cccs3)nc3nc4ccccc4nc32)cc1,0,0.0,
+c1ccc(Cn2c(CNc3nc4ccccc4n3CCN3CCOCC3)nc3ccccc32)cc1,0,0.0,
+c1ccc(Cn2c(CSc3nnnn3-c3ccccc3)nc3ccccc32)cc1,0,0.0,
+c1ccc(Cn2c(NCc3ccco3)nc3ccccc32)cc1,0,0.0,
+c1ccc(Cn2c(Nn3cnnc3)nc3ccccc32)cc1,0,0.0,
+c1ccc(Cn2c(SCCN3CCOCC3)nnc2-c2cccnc2)cc1,0,0.0,
+c1ccc(Cn2c(SCc3cn4cccnc4n3)nnc2-c2ccco2)cc1,0,0.0,
+c1ccc(Cn2c(Sc3nnnn3-c3ccccc3)nnc2-c2ccccc2)cc1,0,0.0,
+c1ccc(Cn2ccnc2)cc1,0,0.0,
+c1ccc(Cn2ccnc2-c2ccco2)cc1,0,0.0,
+c1ccc(Cn2ccnc2SCc2nnc(-c3ccccc3)o2)cc1,0,0.0,
+c1ccc(Cn2ncc3c(NCc4ccco4)ncnc32)cc1,0,0.0,
+c1ccc(Cn2ncc3c2ncn2c(-c4ccncc4)nnc32)cc1,0,0.0,
+c1ccc(Cn2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1,0,0.0,
+c1ccc(Cn2ncc3ccccc32)cc1,0,0.0,
+c1ccc(Cn2nnc3c(N4CCC5(CC4)OCCO5)ncnc32)cc1,0,0.0,
+c1ccc(Cn2nnc3c(N4CCCC4)ncnc32)cc1,0,0.0,
+c1ccc(Cn2nnc3c(N4CCCCCC4)ncnc32)cc1,0,0.0,
+c1ccc(Cn2nnc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc32)cc1,0,0.0,
+c1ccc(Cn2nnc3c(N4CCOCC4)ncnc32)cc1,0,0.0,
+c1ccc(Cn2nnc3c(N4CCc5ccccc54)ncnc32)cc1,0,0.0,
+c1ccc(Cn2nnc3c(N4CCc5ccccc5C4)ncnc32)cc1,0,0.0,
+c1ccc(Cn2nnc3c(NCC4CCCO4)ncnc32)cc1,0,0.0,
+c1ccc(Cn2nnc3c(NCCN4CCOCC4)ncnc32)cc1,0,0.0,
+c1ccc(Cn2nnc3c(Nc4ccc5c(c4)OCO5)nc(C4CC4)nc32)cc1,0,0.0,
+c1ccc(Cn2nnc3cnccc32)cc1,0,0.0,
+c1ccc(Cn2nnnc2-c2ccco2)cc1,0,0.0,
+c1ccc(Cn2nnnc2C(c2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1,1,100.0,0.0
+c1ccc(Cn2nnnc2C(c2ccccn2)N2CCOCC2)cc1,0,0.0,
+c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1,0,0.0,
+c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1,0,0.0,
+c1ccc(Cn2nnnc2C(c2cccs2)N2CCOCC2)cc1,0,0.0,
+c1ccc(Cn2nnnc2C(c2cccs2)N2CCSCC2)cc1,0,0.0,
+c1ccc(Cn2nnnc2C(c2cccs2)N2CCc3ccccc3C2)cc1,0,0.0,
+c1ccc(Cn2nnnc2C(c2ccncc2)N2CCOCC2)cc1,0,0.0,
+c1ccc(Cn2nnnc2CN2CCCC2)cc1,0,0.0,
+c1ccc(Cn2nnnc2CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,0,0.0,
+c1ccc(Cn2nnnc2CN2CCN(c3ncccn3)CC2)cc1,0,0.0,
+c1ccc(N(c2ccccc2)c2nc(-n3ccnc3)nc(-n3ccnc3)n2)cc1,0,0.0,
+c1ccc(N(c2ccccc2)c2nc(N3CCCC3)nc(-n3ccnc3)n2)cc1,0,0.0,
+c1ccc(N(c2ccccc2)c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,0,0.0,
+c1ccc(N2CCCCC2)c(NC2=NCCC2)c1,0,0.0,
+c1ccc(N2CCN(C3CCSC3)CC2)cc1,0,0.0,
+c1ccc(N2CCN(CCc3nnc4n3CCCCC4)CC2)cc1,0,0.0,
+c1ccc(N2CCN(Cc3ccnc4ccccc34)CC2)cc1,0,0.0,
+c1ccc(N2CCN(Cc3cn4cccnc4n3)CC2)cc1,0,0.0,
+c1ccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1,0,0.0,
+c1ccc(N2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1,0,0.0,
+c1ccc(N2CCN(c3ccccc3)C2c2cccs2)cc1,0,0.0,
+c1ccc(N2CCN(c3cnccn3)CC2)nc1,0,0.0,
+c1ccc(N2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1,0,0.0,
+c1ccc(N2CCN(c3nc(NCc4ccco4)c4ccccc4n3)CC2)cc1,0,0.0,
+c1ccc(N2CCN(c3nc4cc5c(cc4s3)OCCO5)CC2)cc1,0,0.0,
+c1ccc(N2CCN(c3nc4cc5c(cc4s3)OCO5)CC2)cc1,0,0.0,
+c1ccc(N2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1,0,0.0,
+c1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1,0,0.0,
+c1ccc(N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1,0,0.0,
+c1ccc(N2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1,0,0.0,
+c1ccc(N2CCN(c3nnc(Cc4cccnc4)c4ccccc34)CC2)nc1,0,0.0,
+c1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1,0,0.0,
+c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1,0,0.0,
+c1ccc(N2CC[N+]3(CCCC3)CC2)nc1,0,0.0,
+c1ccc(N=P(N2CCOCC2)(N2CCOCC2)N2CCOCC2)cc1,0,0.0,
+c1ccc(N=P(c2nc3ccccc3o2)(N2CCOCC2)N2CCOCC2)cc1,0,0.0,
+c1ccc(NC(=NCc2ccco2)c2ccccc2)cc1,0,0.0,
+c1ccc(NC2=Nc3ccccc3CS2)cc1,0,0.0,
+c1ccc(NCCCNc2ccccc2)cc1,0,0.0,
+c1ccc(NCc2nc(-c3ccccc3)no2)cc1,0,0.0,
+c1ccc(NCc2nnc3n2CCCCC3)cc1,0,0.0,
+c1ccc(Nc2c3c(nc4ncnn24)CCC3)cc1,0,0.0,
+c1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1,0,0.0,
+c1ccc(Nc2cc(Nc3ccccc3)[nH]n2)cc1,0,0.0,
+c1ccc(Nc2ccccc2Nc2ccccn2)nc1,0,0.0,
+c1ccc(Nc2n[nH]nc2-c2ccccc2)cc1,0,0.0,
+c1ccc(Nc2nc(-c3cccnc3)cs2)nc1,0,0.0,
+c1ccc(Nc2nc(-c3cccs3)cs2)nc1,0,0.0,
+c1ccc(Nc2nc(-c3ccncc3)cs2)nc1,0,0.0,
+c1ccc(Nc2nc(N3CCCCC3)nc(N3CCNCC3)n2)cc1,0,0.0,
+c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,0,0.0,
+c1ccc(Nc2nc3ccccc3[nH]2)nc1,0,0.0,
+c1ccc(Nc2nc3ccccc3n3cnnc23)cc1,0,0.0,
+c1ccc(Nc2ncnc3c2oc2ccccc23)cc1,0,0.0,
+c1ccc(Nc2nn[nH]n2)cc1,0,0.0,
+c1ccc(OCCCCn2cnc3ccccc32)cc1,0,0.0,
+c1ccc(OCCCc2nc(-c3ccccn3)no2)cc1,0,0.0,
+c1ccc(OCCCc2nc(-c3cccnc3)no2)cc1,0,0.0,
+c1ccc(OCCCc2nc(-c3ccncc3)no2)cc1,0,0.0,
+c1ccc(OCCCn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1,0,0.0,
+c1ccc(OCCCn2nnc(-c3cccnc3)n2)cc1,0,0.0,
+c1ccc(OCCCn2nnc(-c3ccncc3)n2)cc1,0,0.0,
+c1ccc(OCCN2C3=NCCN3c3ccccc32)cc1,0,0.0,
+c1ccc(OCCOCCSc2ncccn2)cc1,0,0.0,
+c1ccc(OCCOc2ccccc2-c2nnco2)cc1,0,0.0,
+c1ccc(OCCOc2nc3ccccc3nc2N2CCOCC2)cc1,0,0.0,
+c1ccc(OCCOc2ncnc3ccccc23)cc1,0,0.0,
+c1ccc(OCCOc2ncnc3sccc23)cc1,0,0.0,
+c1ccc(OCCSc2nc3ccccc3o2)cc1,0,0.0,
+c1ccc(OCCSc2ncnc3nc[nH]c23)cc1,0,0.0,
+c1ccc(OCCSc2nnc3sc4ccccc4n23)cc1,0,0.0,
+c1ccc(OCCSc2nnnn2-c2ccccc2)cc1,0,0.0,
+c1ccc(OCCSc2nnnn2C2CCCCC2)cc1,0,0.0,
+c1ccc(OCCn2c(-c3ccco3)nc3ccccc32)cc1,0,0.0,
+c1ccc(OCCn2cnc3ccccc32)cc1,0,0.0,
+c1ccc(OCc2nc(-c3ccccc3)no2)cc1,0,0.0,
+c1ccc(OCc2nc3ccccc3[nH]2)cc1,0,0.0,
+c1ccc(OCc2nc3ccccc3s2)cc1,0,0.0,
+c1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1,0,0.0,
+c1ccc(OCc2nn3c(-c4cccnc4)nnc3s2)cc1,0,0.0,
+c1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1,0,0.0,
+c1ccc(OCc2nn3c(-c4ccncc4)nnc3s2)cc1,0,0.0,
+c1ccc(OCc2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)cc1,0,0.0,
+c1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)cc1,0,0.0,
+c1ccc(OCc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,0,0.0,
+c1ccc(OCc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,0,0.0,
+c1ccc(OCc2nnc3sc(-c4ccco4)nn23)cc1,0,0.0,
+c1ccc(OCc2nnc3sc(-c4cccs4)nn23)cc1,0,0.0,
+c1ccc(OCc2nnc3sc(C4COc5ccccc5O4)nn23)cc1,0,0.0,
+c1ccc(Oc2cc(-n3cccn3)ncn2)cc1,0,0.0,
+c1ccc(Oc2ccc(-n3cnnn3)cc2)cc1,0,0.0,
+c1ccc(Oc2cccc(CN3CCOCC3)c2)cc1,0,0.0,
+c1ccc(Oc2cccc(NC3=NCCC3)c2)cc1,1,100.0,1.0
+c1ccc(Oc2cccc(OCCCn3cncn3)c2)cc1,0,0.0,
+c1ccc(Oc2cccc(OCCn3cncn3)c2)cc1,0,0.0,
+c1ccc(Oc2nc(NCc3ccco3)nc(NCc3ccco3)n2)cc1,0,0.0,
+c1ccc(Oc2nc(Oc3ccccc3)nc(N3CCOCC3)n2)cc1,0,0.0,
+c1ccc(SCCOCCn2cncn2)cc1,0,0.0,
+c1ccc(SCc2nc(-c3ccccn3)no2)cc1,0,0.0,
+c1ccc(SCc2nc(-c3cccnc3)no2)cc1,0,0.0,
+c1ccc(SCc2nc(-c3ccncc3)no2)cc1,0,0.0,
+c1ccc(SCc2nc3ccccc3[nH]2)nc1,0,0.0,
+c1ccc(Sc2nc(N3CCCCC3)nc(N3CCCCC3)n2)nc1,1,100.0,
+c1ccc(Sc2ncnc3c2oc2ccccc23)nc1,0,0.0,
+c1ccc2[nH]c(-c3ccnc4ccccc34)nc2c1,0,0.0,
+c1ccc2[nH]c(-c3cscn3)nc2c1,0,0.0,
+c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1,0,0.0,
+c1ccc2[nH]c(CCNC3CCCCC3)nc2c1,0,0.0,
+c1ccc2[nH]c(CN3CCCCCC3)nc2c1,0,0.0,
+c1ccc2[nH]c(CN3CCN(c4ncnc5c4oc4ccccc45)CC3)nc2c1,0,0.0,
+c1ccc2[nH]c(CSc3nc4ccccc4o3)nc2c1,0,0.0,
+c1ccc2[nH]c(CSc3ncnc4c3oc3ccccc34)nc2c1,0,0.0,
+c1ccc2[nH]c(CSc3nnc(-c4ccncc4)o3)nc2c1,0,0.0,
+c1ccc2[nH]c(N3CCOCC3)nc2c1,0,0.0,
+c1ccc2[nH]c(NC3=NCCC3)nc2c1,0,0.0,
+c1ccc2[nH]c(NCCCN3CCOCC3)nc2c1,0,0.0,
+c1ccc2[nH]c(NCCN3CCOCC3)nc2c1,0,0.0,
+c1ccc2[nH]c(SCCN3CCOCC3)nc2c1,0,0.0,
+c1ccc2[nH]c(SCc3ccc(-c4nnco4)cc3)nc2c1,0,0.0,
+c1ccc2[nH]c(SCc3cscn3)nc2c1,0,0.0,
+c1ccc2[nH]c(SN3CCOCC3)nc2c1,0,0.0,
+c1ccc2c(-c3ccncc3)c[nH]c2c1,0,0.0,
+c1ccc2c(-c3nc(-c4ccncc4)no3)cccc2c1,0,0.0,
+c1ccc2c(-c3nc(C4CCCCC4)no3)cc(-c3ccncc3)nc2c1,0,0.0,
+c1ccc2c(-c3nc4ncccc4o3)cccc2c1,0,0.0,
+c1ccc2c(-c3nnc4n3CCCCC4)c[nH]c2c1,0,0.0,
+c1ccc2c(-n3cccn3)cccc2c1,0,0.0,
+c1ccc2c(CC3=NCCN3)cccc2c1,0,0.0,
+c1ccc2c(CCNC3=NCCC3)c[nH]c2c1,0,0.0,
+c1ccc2c(CCNc3ncnc4nc[nH]c34)c[nH]c2c1,0,0.0,
+c1ccc2c(CN3CCCCCCC3)c[nH]c2c1,0,0.0,
+c1ccc2c(CN3CCN(C4CCCCC4)CC3)c[nH]c2c1,0,0.0,
+c1ccc2c(CNCCN3CCOCC3)cccc2c1,0,0.0,
+c1ccc2c(CNn3cnnc3)cccc2c1,0,0.0,
+c1ccc2c(Cn3ccnc3)c[nH]c2c1,0,0.0,
+c1ccc2c(Cn3nnc4ccccc43)cccc2c1,0,0.0,
+c1ccc2c(N3CCCC3)nc(-c3ccncc3)nc2c1,0,0.0,
+c1ccc2c(N3CCCCC3)nc(N3CCCC3)nc2c1,1,100.0,1.0
+c1ccc2c(N3CCCCC3)nc(N3CCCCC3)nc2c1,0,0.0,
+c1ccc2c(NC3=NCCS3)cccc2c1,0,0.0,
+c1ccc2c(NC3CCCC3)nnc(NC3CCCC3)c2c1,0,0.0,
+c1ccc2c(NCC3CCCO3)nc(-c3ccncc3)nc2c1,0,0.0,
+c1ccc2c(Oc3ccc4c(c3)OCO4)nncc2c1,0,0.0,
+c1ccc2c(SCc3cn4cccnc4n3)ncnc2c1,0,0.0,
+c1ccc2c(c1)C(=NCC1CCCO1)NC2=NCC1CCCO1,0,0.0,
+c1ccc2c(c1)C(=Nn1cnnc1)c1ccccc1-2,0,0.0,
+c1ccc2c(c1)CC(N1CCCCC1)c1ccccc1N2,0,0.0,
+c1ccc2c(c1)CC1(CCCC1)n1nnnc1-2,0,0.0,
+c1ccc2c(c1)CCCC2C1=NCCN1,0,0.0,
+c1ccc2c(c1)CCCC2NC1=NCCC1,0,0.0,
+c1ccc2c(c1)CCCN2Cc1nnc2n1CCCCC2,0,0.0,
+c1ccc2c(c1)CCCN2Cc1nnnn1C1CCCC1,0,0.0,
+c1ccc2c(c1)CCCN2Cc1nnnn1CC1CCCO1,0,0.0,
+c1ccc2c(c1)CCCN2c1nc2ccccc2n2cnnc12,0,0.0,
+c1ccc2c(c1)CCCn1nnnc1-2,0,0.0,
+c1ccc2c(c1)CCN(CCCNc1nc3ccccc3n3cnnc13)C2,0,0.0,
+c1ccc2c(c1)CCN(c1nc3cc4c(cc3s1)OCCO4)C2,0,0.0,
+c1ccc2c(c1)CCN(c1nc3cc4c(cc3s1)OCO4)C2,0,0.0,
+c1ccc2c(c1)CCN(c1nc3ccccc3n3cnnc13)C2,0,0.0,
+c1ccc2c(c1)CCN(c1ncnc3c1[nH]c1ccccc13)C2,1,100.0,
+c1ccc2c(c1)CCN(c1ncnc3nc[nH]c13)C2,0,0.0,
+c1ccc2c(c1)CCN2CCN1CCc2ccccc21,0,0.0,
+c1ccc2c(c1)CCOC2CNCCCN1CCCCC1,0,0.0,
+c1ccc2c(c1)CNC1(CCCCC1)C2,0,0.0,
+c1ccc2c(c1)CNc1ccccc1C2,0,0.0,
+c1ccc2c(c1)Cc1cc(CN3CCOCC3)ccc1-2,0,0.0,
+c1ccc2c(c1)Cn1c-2nc2ccccc21,0,0.0,
+c1ccc2c(c1)Cn1nc(Cc3nc4c(s3)CCCC4)nc1-2,0,0.0,
+c1ccc2c(c1)Cn1nnnc1-2,0,0.0,
+c1ccc2c(c1)N1CCN=C1N2CCN1CCCCC1,0,0.0,
+c1ccc2c(c1)NC(CN1CCOCC1)CO2,0,0.0,
+c1ccc2c(c1)NC(c1ccncc1)n1c-2nc2ccccc21,0,0.0,
+c1ccc2c(c1)NC1(CCCC1)n1c-2nc2ccccc21,0,0.0,
+c1ccc2c(c1)NC1(CCCCC1)n1c-2nc2ccccc21,0,0.0,
+c1ccc2c(c1)OCC(C1=NCCN1)O2,0,0.0,
+c1ccc2c(c1)OCC(CNC1=NCCCCC1)O2,0,0.0,
+c1ccc2c(c1)OCC(CNc1ncnc3nc[nH]c13)O2,1,100.0,
+c1ccc2c(c1)OCC(c1csc3ncnc(N4CCOCC4)c13)O2,0,0.0,
+c1ccc2c(c1)OCC(c1nn3c(Cn4nnc5ccccc54)nnc3s1)O2,0,0.0,
+c1ccc2c(c1)OCC(c1nnc3n1-c1ccccc1SC3)O2,0,0.0,
+c1ccc2c(c1)OCC(c1nnc3sc(-c4ccc5c(c4)OCO5)nn13)O2,0,0.0,
+c1ccc2c(c1)[nH]c1c(N3CCC4(CC3)OCCO4)ncnc12,0,0.0,
+c1ccc2c(c1)[nH]c1c(N3CCCC3)ncnc12,1,100.0,1.0
+c1ccc2c(c1)[nH]c1c(N3CCCCC3)ncnc12,0,0.0,
+c1ccc2c(c1)[nH]c1c(N3CCN(C4CCCCC4)CC3)ncnc12,0,0.0,
+c1ccc2c(c1)[nH]c1c(N3CCOCC3)ncnc12,0,0.0,
+c1ccc2c(c1)[nH]c1c(N3CCSCC3)ncnc12,1,100.0,0.0
+c1ccc2c(c1)[nH]c1c(NCC3CCCO3)ncnc12,0,0.0,
+c1ccc2c(c1)[nH]c1cnccc12,0,0.0,
+c1ccc2c(c1)[nH]c1nc(SCCN3CCOCC3)nnc12,0,0.0,
+c1ccc2c(c1)[nH]c1nc3nncn3nc12,0,0.0,
+c1ccc2c(c1)c1c3n2CCNC3CCC1,0,0.0,
+c1ccc2c(c1)ccc1nnc(-c3ccc4c(c3)OCO4)n12,0,0.0,
+c1ccc2c(c1)nc(-c1ccncc1)n1nnnc21,0,0.0,
+c1ccc2c(c1)nc(CN1CCOCC1)n1c3ccccc3nc21,0,0.0,
+c1ccc2c(c1)nc(N1CCN(C3CCCCC3)CC1)c1nnnn12,0,0.0,
+c1ccc2c(c1)nc(N1CCOCC1)c1c3ccccc3[nH]c21,0,0.0,
+c1ccc2c(c1)nc(N1CCOCC1)c1nnnn12,0,0.0,
+c1ccc2c(c1)nc(NC1CCCCC1)c1nncn12,0,0.0,
+c1ccc2c(c1)nc(NCC1CCCO1)c1nnnn12,0,0.0,
+c1ccc2c(c1)nc(NCCN1CCOCC1)c1nncn12,0,0.0,
+c1ccc2c(c1)nc(Nc1ccc3c(c1)OCO3)c1nnnn12,0,0.0,
+c1ccc2c(c1)nc1n2C2(N3CCOCC3)CCCC2C1N1CCOCC1,0,0.0,
+c1ccc2c(c1)nc1n2CCN1CCNC1CCCCC1,0,0.0,
+c1ccc2c(c1)nc1n2CCS1,0,0.0,
+c1ccc2c(c1)nc1n2CN(Cc2ccc3c(c2)OCO3)CN1,0,0.0,
+c1ccc2c(c1)nc1sccn12,1,100.0,0.0
+c1ccc2c(c1)ncc1cccn12,0,0.0,
+c1ccc2c(c1)ncn2CCC1CCCCC1,0,0.0,
+c1ccc2c(c1)ncn2CCn1cnc2ccccc21,0,0.0,
+c1ccc2c(c1)ncn2Cc1nnc2sc(-c3ccc4c(c3)OCO4)nn12,0,0.0,
+c1ccc2c(c1)ncn2Cc1nnc2sc(-c3ccncc3)nn12,0,0.0,
+c1ccc2c(c1)nnn1c3ccccc3nc21,0,0.0,
+c1ccc2c(c1)nnn2-c1ncnc2sc3c(c12)CCCC3,0,0.0,
+c1ccc2c(c1)nnn2Cc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12,0,0.0,
+c1ccc2c(c1)nnn2Cc1nnc2sc(-c3ccncc3)nn12,0,0.0,
+c1ccc2c(c1)oc1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12,0,0.0,
+c1ccc2c(c1)oc1c(N3CCOCC3)ncnc12,0,0.0,
+c1ccc2c(c1)oc1c(NCCCN3CCOCC3)ncnc12,0,0.0,
+c1ccc2c(c1)oc1c(NCCCn3ccnc3)ncnc12,0,0.0,
+c1ccc2c(c1)oc1c(NCCN3CCOCC3)ncnc12,0,0.0,
+c1ccc2c(c1)oc1c(NCc3ccc4c(c3)OCO4)ncnc12,0,0.0,
+c1ccc2c(c1)oc1c(Nc3ccc(CN4CCOCC4)cc3)ncnc12,0,0.0,
+c1ccc2c(c1)oc1c(Nc3ccc4c(c3)OCO4)ncnc12,0,0.0,
+c1ccc2c(c1)sc1nnnn12,0,0.0,
+c1ccc2c3c([nH]c2c1)-c1[nH]ncc1CC3,0,0.0,
+c1ccc2c3c([nH]c2c1)CNCC3,0,0.0,
+c1ccc2c3c(cc(N4CCOCC4)c2c1)OC1(N2CCOCC2)CCCCC1O3,0,0.0,
+c1ccc2c3nnc4n(c-3nc2c1)CCCS4,0,0.0,
+c1ccc2cc(CC3=NCCN3)ccc2c1,0,0.0,
+c1ccc2cc(OCCN3CCCC3)ccc2c1,0,0.0,
+c1ccc2cc3[nH]c(CN4CCCCC4)nc3cc2c1,0,0.0,
+c1ccc2cc3[nH]c(CN4CCOCC4)nc3cc2c1,0,0.0,
+c1ccc2nc(-c3nc4ccccc4[nH]3)ccc2c1,0,0.0,
+c1ccc2nc(-c3nc4ccccc4o3)ccc2c1,0,0.0,
+c1ccc2nc(N3CCCC3)c(N3CCCC3)nc2c1,0,0.0,
+c1ccc2nc(N3CCOCC3)c(N3CCOCC3)nc2c1,0,0.0,
+c1ccc2nc3[nH]cnc3nc2c1,0,0.0,
+c1ccc2nc3c(nc2c1)CCc1nonc1-3,0,0.0,
+c1ccc2nc3c(nc2c1)[nH]c1ccccc13,0,0.0,
+c1ccc2nc3c(nc2c1)c1ccccc1n3CCN1CCOCC1,0,0.0,
+c1ccc2nc3c(nc2c1)sc1nc2ccccc2n13,0,0.0,
+c1ccc2ncc(-n3cnnn3)cc2c1,0,0.0,
+c1ccc2oc(-c3nn4c(Cn5cnc6ccccc65)nnc4s3)cc2c1,0,0.0,
+c1ccc2oc(CCc3nc4ccccc4o3)nc2c1,0,0.0,
+c1ccc2oc(N3CCNCC3)nc2c1,0,0.0,
+c1ccc2oc(NC3=NCN(CC4CCCO4)CN3)nc2c1,0,0.0,
+c1ccc2oc(SCc3cn4ccccc4n3)nc2c1,0,0.0,
+c1ccc2oc(SCc3cn4ccsc4n3)nc2c1,0,0.0,
+c1ccc2oc(SCc3nc4ccccc4s3)nc2c1,0,0.0,
+c1ccc2sc(-c3ccc4c(c3)OCO4)nc2c1,0,0.0,
+c1ccc2sc(C3CCCNC3)nc2c1,0,0.0,
+c1ccc2sc(Cc3nnc4n3CCCCC4)nc2c1,0,0.0,
+c1ccc2sc(N3CCN(Cc4nnnn4CC4CCCO4)CC3)nc2c1,0,0.0,
+c1ccc2sc(N3CN(CCN4CCOCC4)CN(c4nc5ccccc5s4)C3)nc2c1,0,0.0,
+c1ccc2sc(NC3=NCN(Cc4ccc5c(c4)OCO5)CN3)nc2c1,0,0.0,
+c1ccc2sc(SCc3ccc(-c4nnco4)cc3)nc2c1,0,0.0,
+c1ccc2sc(SN3CCOCC3)nc2c1,0,0.0,
+c1ccn(-c2ncnc3sc4c(c23)CCCC4)c1,0,0.0,
+c1ccn2c(CNc3ncnc4sccc34)nnc2c1,0,0.0,
+c1ccn2c(Cc3nnc4ccccn34)nnc2c1,0,0.0,
+c1ccn2c(SCc3ccc4c(c3)OCCO4)nnc2c1,0,0.0,
+c1ccn2c(SCc3ccc4c(c3)OCO4)nnc2c1,0,0.0,
+c1ccn2c(SCc3cn4ccsc4n3)nnc2c1,0,0.0,
+c1ccn2c(c1)nc1c2nc2ccccn21,0,0.0,
+c1ccn2cc(CSC3=NCCS3)nc2c1,0,0.0,
+c1ccn2cc(CSc3nnc4ccccn34)nc2c1,0,0.0,
+c1cn(-c2ncnc3sc4c(c23)CCCC4)cn1,0,0.0,
+c1cn(C23CC4CC(CC(C4)C2)C3)cn1,0,0.0,
+c1cn(CC2(Cn3ccnc3)COC2)cn1,0,0.0,
+c1cn(CCCNC2=NCCCCC2)cn1,0,0.0,
+c1cn(CCCNc2ncnc3nc[nH]c23)cn1,0,0.0,
+c1cn(CCCNc2ncnc3sc4c(c23)CCC4)cn1,0,0.0,
+c1cn2c(NC3CCCC3)c(-c3ccc(N4CCOCC4)cc3)nc2cn1,0,0.0,
+c1cn2cc(-c3ccc4c(c3)OCO4)nc2s1,0,0.0,
+c1cn2cc(CN3CCOCC3)nc2s1,0,0.0,
+c1cn2cc(CSC3CCCCC3)nc2s1,0,0.0,
+c1cnc(-c2nnc3n2CCCCC3)cn1,0,0.0,
+c1cnc(N2CCN(Cc3c[nH]c4ccccc34)CC2)nc1,0,0.0,
+c1cnc(N2CCN(c3nc4ccccc4n4cnnc34)CC2)nc1,0,0.0,
+c1cnc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)nc1,0,0.0,
+c1cnc(N2CCSCC2)nc1,0,0.0,
+c1cnc(N2CC[N+]3(CCCC3)CC2)nc1,1,100.0,1.0
+c1cnc(NC2C3CC4CC(C3)CC2C4)nc1,0,0.0,
+c1cnc(NCCNc2ncccn2)nc1,0,0.0,
+c1cnc(Oc2ccc(-c3nnco3)cc2)cn1,0,0.0,
+c1cnc(Oc2ccc3oc4ccccc4c3c2)nc1,0,0.0,
+c1cnc2c(OCc3nc4ccccc4[nH]3)cccc2c1,0,0.0,
+c1cnc2c(SCc3ccc(-c4nnco4)cc3)cccc2c1,0,0.0,
+c1cnc2ccc(C(c3nnnn3C3CCCC3)N3CCN(c4nc5ccccc5s4)CC3)cc2c1,0,0.0,
+c1cncc(-c2cccnc2)c1,0,0.0,
+c1cncc(-c2nc(-c3ccc4c(c3)OCO4)cs2)c1,0,0.0,
+c1cncc(-c2nc(-c3ccco3)cs2)c1,0,0.0,
+c1cncc(-c2nc(-c3cccs3)cs2)c1,0,0.0,
+c1cncc(-c2nc(N3CCCCCC3)c3ccccc3n2)c1,0,0.0,
+c1cncc(-c2nc(NCc3ccco3)c3ccccc3n2)c1,1,100.0,1.0
+c1cncc(-c2nc(Oc3ccc(-c4nnco4)cc3)c3c4c(sc3n2)CCCC4)c1,0,0.0,
+c1cncc(-c2nc3c4ccccc4nc(N4CCC(N5CCCCC5)CC4)n3n2)c1,1,100.0,
+c1cncc(-c2nc3cc(Cc4ccc5oc(-c6cccnc6)nc5c4)ccc3o2)c1,0,0.0,
+c1cncc(-c2nc3ccccc3o2)c1,0,0.0,
+c1cncc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)c1,0,0.0,
+c1cncc(-c2nn3c(-c4ccncc4)nnc3s2)c1,0,0.0,
+c1cncc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1,0,0.0,
+c1cncc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)c1,0,0.0,
+c1cncc(-c2nn3cnnc3s2)c1,0,0.0,
+c1cncc(-c2nn[nH]n2)c1,0,0.0,
+c1cncc(-c2nnc(-c3cccnc3)nn2)c1,0,0.0,
+c1cncc(-c2nnc(-c3ccco3)o2)c1,0,0.0,
+c1cncc(-c2nnc(-c3cccs3)o2)c1,0,0.0,
+c1cncc(-c2nnc(C3CCCCC3)o2)c1,0,0.0,
+c1cncc(-c2nnc(SCCSc3nnc(-c4cccnc4)o3)o2)c1,0,0.0,
+c1cncc(-c2nnc(SCc3cccc4ccccc34)o2)c1,0,0.0,
+c1cncc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1,0,0.0,
+c1cncc(-c2nnc3n2CCC3)c1,0,0.0,
+c1cncc(-c2nnc3n2N=C(c2cccs2)CS3)c1,0,0.0,
+c1cncc(-c2nnc3sc(-c4ccco4)nn23)c1,0,0.0,
+c1cncc(-c2nnc3sc(C4CCCCC4)nn23)c1,0,0.0,
+c1cncc(-c2noc(-c3ccco3)n2)c1,0,0.0,
+c1cncc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)c1,0,0.0,
+c1cncc(C(c2nnnn2C2CCCC2)N2CCCC2)c1,1,100.0,0.0
+c1cncc(C(c2nnnn2C2CCCC2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,0,0.0,
+c1cncc(C2CC(c3cccs3)n3ncnc3N2)c1,0,0.0,
+c1cncc(C2CCCCN2Cc2ccc3c(c2)OCO3)c1,0,0.0,
+c1cncc(C2Nc3ccccc3-c3nc4ccccc4n32)c1,0,0.0,
+c1cncc(CNC2=NCCC2)c1,0,0.0,
+c1cncc(CNC2=NCCCCC2)c1,0,0.0,
+c1cncc(CNC2CCCc3ccccc32)c1,0,0.0,
+c1cncc(CNc2c3c(nc4nnnn24)CCCC3)c1,0,0.0,
+c1cncc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1,0,0.0,
+c1cncc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1,0,0.0,
+c1cncc(Nc2nc(-c3cccnc3)cs2)c1,0,0.0,
+c1cncc(Nc2nc(-c3cccs3)cs2)c1,0,0.0,
+c1cncc(Nc2nc(-c3ccncc3)cs2)c1,0,0.0,
+c1cncc(Oc2cccc(Oc3cccnc3)c2)c1,0,0.0,
+c1cnn(-c2cc(N3CCOCC3)ncn2)c1,0,0.0,
+c1cnn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1,0,0.0,
+c1coc(-c2nc(-c3ccncc3)no2)c1,0,0.0,
+c1coc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)c1,0,0.0,
+c1coc(-c2nc3ccccc3nc2-c2ccco2)c1,0,0.0,
+c1coc(-c2nc3nc4ccccc4n3nc2-c2ccco2)c1,0,0.0,
+c1coc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)c1,0,0.0,
+c1coc(-c2ncc[nH]2)c1,0,0.0,
+c1coc(-c2nn3c(-c4ccco4)nnc3s2)c1,0,0.0,
+c1coc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)c1,0,0.0,
+c1coc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c1,0,0.0,
+c1coc(-c2nnc(-c3cccs3)o2)c1,0,0.0,
+c1coc(-c2nnc(NC3=NCCC3)o2)c1,0,0.0,
+c1coc(-c2nnc(SCc3cn4ccccc4n3)o2)c1,0,0.0,
+c1coc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1,0,0.0,
+c1coc(-c2nnc3n2C2(CCCC2)Cc2ccccc2-3)c1,0,0.0,
+c1coc(-c2nnc3sc(-c4cccs4)nn23)c1,0,0.0,
+c1coc(-c2nnc3sc(C4CCCCC4)nn23)c1,0,0.0,
+c1coc(-c2nnc3sc(Cc4cccs4)nn23)c1,0,0.0,
+c1coc(C2Nc3cccc4cccc(c34)N2)c1,1,100.0,0.0
+c1coc(C2Nc3ccccc3-c3nc4ccccc4n32)c1,0,0.0,
+c1coc(CN(Cc2cccs2)Cc2nnnn2C2CCCCC2)c1,0,0.0,
+c1coc(CN2CN=C(Nc3nc4ccccc4s3)NC2)c1,0,0.0,
+c1coc(CN=C2NC(=NCc3ccco3)c3ccccc32)c1,0,0.0,
+c1coc(CNC2CCCCCCC2)c1,0,0.0,
+c1coc(CNCC2OCCc3ccccc32)c1,0,0.0,
+c1coc(CNc2c3c(nc4ccccc24)CCC3)c1,0,0.0,
+c1coc(CNc2c3c(nc4ncnn24)CCC3)c1,0,0.0,
+c1coc(CNc2c3c(nc4ncnn24)CCCC3)c1,0,0.0,
+c1coc(CNc2nc(-c3ccncc3)cs2)c1,0,0.0,
+c1coc(CNc2nc(N3CCCCC3)nc3ccccc23)c1,1,100.0,0.0
+c1coc(CNc2nc3ccccc3n2CCN2CCOCC2)c1,0,0.0,
+c1coc(CNc2nc3nonc3nc2NCc2ccco2)c1,0,0.0,
+c1coc(CNc2nc3sc4c(c3c3ncnn23)CCCC4)c1,0,0.0,
+c1coc(CNc2ncnc3c2oc2ccccc23)c1,0,0.0,
+c1coc(CNc2ncnc3ccccc23)c1,0,0.0,
+c1coc(CNc2ncnc3nc[nH]c23)c1,0,0.0,
+c1coc(CNc2ncnc3sc4c(c23)CCCCC4)c1,0,0.0,
+c1coc(CSCc2cn3cccnc3n2)c1,0,0.0,
+c1coc(Cn2c(-c3ccco3)nc3ccccc32)c1,0,0.0,
+c1coc(Cn2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccs2)c1,1,100.0,0.0
+c1coc(Cn2c(SCc3nc4ccccc4[nH]3)nnc2-c2cnccn2)c1,0,0.0,
+c1coc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)c1,0,0.0,
+c1coc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)c1,0,0.0,
+c1csc(-c2ccc3ccccc3n2)c1,0,0.0,
+c1csc(-c2cn3c(n2)SCC3)c1,0,0.0,
+c1csc(-c2cnc3ccccc3n2)c1,0,0.0,
+c1csc(-c2cnc3n2CCCC3)c1,0,0.0,
+c1csc(-c2csc(-c3cccs3)n2)c1,0,0.0,
+c1csc(-c2csc3nc(CN4CCOCC4)nc(NCc4ccc5c(c4)OCO5)c23)c1,0,0.0,
+c1csc(-c2csc3ncnc(NCCCN4CCOCC4)c23)c1,0,0.0,
+c1csc(-c2nc(-c3ccncc3)no2)c1,0,0.0,
+c1csc(-c2nc3ccccc3[nH]2)c1,0,0.0,
+c1csc(-c2nc3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)c1,0,0.0,
+c1csc(-c2ncc3ccccn23)c1,0,0.0,
+c1csc(-c2nn3c(-c4ccncc4)nnc3s2)c1,0,0.0,
+c1csc(-c2nn3c(C4CCCCC4)nnc3s2)c1,0,0.0,
+c1csc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)c1,0,0.0,
+c1csc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1,0,0.0,
+c1csc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)c1,0,0.0,
+c1csc(-c2nn[nH]n2)c1,0,0.0,
+c1csc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)c1,0,0.0,
+c1csc(-c2nnc3ccccn23)c1,0,0.0,
+c1csc(-c2nnsc2-c2nc3ccccc3[nH]2)c1,0,0.0,
+c1csc(-c2noc(COc3ccc4c(c3)CCCC4)n2)c1,0,0.0,
+c1csc(-n2nc3ccccc3n2)c1,0,0.0,
+c1csc(C(c2nnnn2C2CCCC2)N2CCOCC2)c1,0,0.0,
+c1csc(C2C3=C(Nc4ncnn42)c2ccccc2OC3)c1,0,0.0,
+c1csc(CCNc2ncnc3sc4c(c23)CCC4)c1,1,100.0,
+c1csc(CN2CCN(Cc3cccs3)C2c2cccs2)c1,0,0.0,
+c1csc(CNc2nc3ccccc3n2CCN2CCOCC2)c1,0,0.0,
+c1csc(CNc2ncnc3nc[nH]c23)c1,0,0.0,
+c1csc(CSc2nc3ccccc3s2)c1,0,0.0,
+c1csc(CSc2nnc3sc4ccccc4n23)c1,0,0.0,
+c1csc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)c1,0,0.0,
+c1csc(Cc2nc3ccccc3[nH]2)c1,0,0.0,
+c1csc(Cc2nn3c(-c4ccncc4)nnc3s2)c1,0,0.0,
+c1csc(Cc2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)c1,0,0.0,
+c1csc(Cn2c(-c3cccs3)nc3ccccc32)c1,0,0.0,
+c1csc(Cn2nnnc2CN2CCN(c3nc4ccccc4s3)CC2)c1,0,0.0,
+c1n[nH]c(NC2=NCCC2)n1,0,0.0,
+c1n[nH]c(NCc2ccc3c(c2)OCO3)n1,0,0.0,
+c1n[nH]c(SCCCCSc2ncn[nH]2)n1,0,0.0,
+c1nc(COc2nsnc2N2CCOCC2)cs1,0,0.0,
+c1nc(N2CCC3(CC2)OCCO3)c2[nH]cnc2n1,0,0.0,
+c1nc(N2CCC3(CC2)OCCO3)c2c3c(sc2n1)CCCC3,0,0.0,
+c1nc(N2CCCC2)c2[nH]cnc2n1,0,0.0,
+c1nc(N2CCCCC2)c2[nH]cnc2n1,0,0.0,
+c1nc(N2CCCCCC2)c2[nH]cnc2n1,0,0.0,
+c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2[nH]cnc2n1,0,0.0,
+c1nc(N2CCNCC2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CCC4,0,0.0,
+c1nc(N2CCOCC2)c2[nH]cnc2n1,0,0.0,
+c1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3,0,0.0,
+c1nc(N2CCOCC2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CCCC4,0,0.0,
+c1nc(NC2CCCC2)c2[nH]cnc2n1,0,0.0,
+c1nc(NC2CCCCC2)c2[nH]cnc2n1,0,0.0,
+c1nc(NC2CCCCCC2)c2[nH]cnc2n1,0,0.0,
+c1nc(NCC2(N3CCOCC3)CCCCC2)c2ccsc2n1,0,0.0,
+c1nc(NCC2CCCO2)c2[nH]cnc2n1,0,0.0,
+c1nc(NCCN2CCOCC2)c2c3c(sc2n1)CCCCC3,0,0.0,
+c1nc(NCCN2CCOCC2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CCC4,0,0.0,
+c1nc2nc3c(c(N4CCOCC4)n2n1)CCCC3,0,0.0,
+c1nc2sc3c(c2c2nnnn12)CCC3,0,0.0,
+c1nc2sc3c(c2c2nnnn12)CCCC3,0,0.0,
+c1ncn(CCCCOc2ccc3c(c2)CCC3)n1,0,0.0,
+c1ncn(CCOCCOc2ccc3c(c2)CCC3)n1,0,0.0,
+c1ncn(CCOc2ccc3c(c2)CCC3)n1,0,0.0,
+c1nnc(NC2=NCCCCC2)s1,0,0.0,
+c1nnc2c3c4c(sc3ncn12)CCC4,0,0.0,
+c1nnc2c3c4c(sc3ncn12)CCCC4,0,0.0,
+c1nnn(C23CC4CC(CC(C4)C2)C3)n1,0,0.0,
+c1nnnn1CCn1cnnn1,0,0.0,