diff --git "a/Boldini2024/GPCR2_sanitized.csv" "b/Boldini2024/GPCR2_sanitized.csv"
new file mode 100644--- /dev/null
+++ "b/Boldini2024/GPCR2_sanitized.csv"
@@ -0,0 +1,196069 @@
+new SMILES,Primary,Score,Confirmatory
+BrC(/C=C\c1ccccc1)=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+BrC(/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)=C/c1ccccc1,0,2.0,
+BrC(=C\c1ccccc1)/C=N/N1CCN(Cc2ccccc2)CC1,0,2.0,
+BrC(=C\c1ccccc1)/C=N/N1CCN(c2ccccc2)CC1,0,2.0,
+BrC(=C\c1ccccc1)/C=N/N1CCN(c2ccccn2)CC1,0,0.0,
+BrC(=C\c1ccccc1)/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+BrC(=C\c1ccccc1)/C=N/Nc1nc2ccccc2[nH]1,0,1.0,
+BrC(=C\c1ccccc1)/C=N/n1cnnc1,0,0.0,
+BrCCOCCOc1ccc2ccccc2c1,0,0.0,
+Brc1[nH]nc2ccccc12,0,0.0,
+Brc1c(-c2ccc3c(c2)OCO3)nc2ncccn12,0,0.0,
+Brc1c(CSc2nc3ccccc3o2)nc2ncccn12,0,5.0,
+Brc1c(CSc2nc3ccccc3s2)nc2ncccn12,0,2.0,
+Brc1c(CSc2nnc(-c3ccco3)o2)nc2ccccn12,0,0.0,
+Brc1c(CSc2nncc3ccccc23)nc2ccccn12,0,0.0,
+Brc1c(CSc2nncn2-c2ccccc2)nc2ncccn12,0,0.0,
+Brc1c(CSc2nncn2-c2ccccc2)nc2sccn12,0,1.0,
+Brc1c(NC2=NCCN2)ccc2nccnc12,0,0.0,
+Brc1c(OCCOCCn2cncn2)ccc2ccccc12,0,2.0,
+Brc1cc(/C=N/n2cnnc2)oc1Br,0,3.0,
+Brc1cc(Br)c2nc(-c3ccc(N4CCOCC4)cc3)ccc2c1,0,0.0,
+Brc1cc(Br)c2nc(-c3cccs3)ccc2c1,0,5.0,
+Brc1cc(Br)c2ncnc(N3CCCCC3)c2c1,0,2.0,
+Brc1cc2[nH]cnc2c2ccccc12,0,0.0,
+Brc1cc2c(cc1/C=N/Nc1nc(N3CCCC3)nc(N3CCOCC3)n1)OCO2,0,3.0,
+Brc1cc2c(cc1/C=N/Nc1nc(N3CCCCC3)nc(N3CCCCC3)n1)OCO2,0,8.0,
+Brc1cc2c(cc1/C=N/Nc1nc(N3CCOCC3)nc(N3CCOCC3)n1)OCO2,0,0.0,
+Brc1cc2c(cc1/C=N/Nc1nc3ccccc3s1)OCO2,0,0.0,
+Brc1cc2c(cc1Br)OCCOCCOCCOCCO2,0,3.0,
+Brc1cc2c(cc1C1Nc3ccccc3C3C=CCC31)OCO2,0,5.0,
+Brc1cc2c(cc1COc1ccc(-c3nn[nH]n3)cc1)OCO2,0,7.0,
+Brc1cc2c(cc1Cn1c(-c3cncs3)nc3ccccc31)OCO2,0,7.0,
+Brc1ccc(-c2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1,0,0.0,
+Brc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)cc1,0,7.0,
+Brc1ccc(-c2ccc(/C=N/Nc3nncc(-c4ccccc4)n3)o2)cc1,0,5.0,
+Brc1ccc(-c2cn3c(n2)CCc2ccc4cccnc4c2-3)cc1,0,0.0,
+Brc1ccc(-c2cn3c(n2)SCC3)cc1,0,0.0,
+Brc1ccc(-c2cn3ccccc3n2)s1,0,4.0,
+Brc1ccc(-c2cn3cccnc3n2)cc1,0,0.0,
+Brc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1,0,5.0,
+Brc1ccc(-c2cnc(-c3cccs3)o2)cc1,0,4.0,
+Brc1ccc(-c2cnc3n2CCCC3)cc1,0,11.0,
+Brc1ccc(-c2cnco2)cc1,0,13.0,
+Brc1ccc(-c2cnnc(N3CCCC3)n2)cc1,0,0.0,
+Brc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1,0,0.0,
+Brc1ccc(-c2csc(-c3ccncc3)n2)cc1,0,0.0,
+Brc1ccc(-c2csc(/N=C/N3CCCC3)n2)cc1,1,31.0,1.0
+Brc1ccc(-c2csc(/N=C/N3CCOCC3)n2)cc1,1,35.0,
+Brc1ccc(-c2csc(N/N=C/c3ccc4c(c3)OCO4)n2)cc1,0,1.0,
+Brc1ccc(-c2csc(N/N=C/c3cccnc3)n2)cc1,0,0.0,
+Brc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1,0,0.0,
+Brc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1,0,0.0,
+Brc1ccc(-c2csc(N3CCOCC3)n2)cc1,0,0.0,
+Brc1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1,0,0.0,
+Brc1ccc(-c2csc(NC3=NCCCCC3)n2)cc1,0,0.0,
+Brc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1,0,0.0,
+Brc1ccc(-c2csc3[n+]2CCCCC3)cc1,0,5.0,
+Brc1ccc(-c2csc3ncnc(-n4nnc5ccccc54)c23)cc1,0,7.0,
+Brc1ccc(-c2nc(-c3ccccc3)no2)o1,0,0.0,
+Brc1ccc(-c2nc(-c3ccccn3)no2)o1,0,1.0,
+Brc1ccc(-c2nc(-c3cccnc3)no2)o1,0,0.0,
+Brc1ccc(-c2nc(-c3ccncc3)no2)o1,0,1.0,
+Brc1ccc(-c2nc(N/N=C/c3cccnc3)c3ccccc3n2)cc1,0,13.0,
+Brc1ccc(-c2nc3ccccc3s2)s1,0,0.0,
+Brc1ccc(-c2nc3ncccn3c2NC2CCCCC2)o1,0,6.0,
+Brc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)o1,0,9.0,
+Brc1ccc(-c2ncc(-c3ccccc3)cn2)cc1,0,1.0,
+Brc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)o1,0,0.0,
+Brc1ccc(-c2nn3c(-c4ccco4)nnc3s2)o1,0,0.0,
+Brc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)o1,0,1.0,
+Brc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)o1,0,0.0,
+Brc1ccc(-c2nnc(-c3cccc(Br)c3)o2)cc1,0,6.0,
+Brc1ccc(-c2nnc(-c3ccccc3)c(N3CCSCC3)n2)cc1,0,5.0,
+Brc1ccc(-c2nnc(-c3ccccc3)o2)o1,0,11.0,
+Brc1ccc(-c2nnc(-c3ccccc3Br)o2)cc1,0,10.0,
+Brc1ccc(-c2nnc(-c3cccnc3)c3conc23)cc1,0,4.0,
+Brc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,5.0,
+Brc1ccc(-c2nnc(SCCC3OCCCO3)o2)cc1,0,7.0,
+Brc1ccc(-c2nnc3c4ccccc4nc(N4CCOCC4)n23)cc1,0,1.0,
+Brc1ccc(-c2nnc3ccc(N4CCN(c5ccccc5)CC4)nn23)cc1,0,0.0,
+Brc1ccc(-c2nnc3ccc(Nc4ccccc4)nn23)cc1,0,0.0,
+Brc1ccc(-c2nnc3n2-c2ccccc2CC3)cc1,0,7.0,
+Brc1ccc(-c2nnc3n2C2(CCCC2)Cc2ccccc2-3)o1,0,5.0,
+Brc1ccc(-c2nnc3n2CCCCC3)cc1,0,5.0,
+Brc1ccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)cc1,0,4.0,
+Brc1ccc(-c2nnc3sc(CN4CCN(c5ccccc5)CC4)cn23)cc1,0,3.0,
+Brc1ccc(-c2nnc3sc(CNC4CCCC4)cn23)cc1,0,6.0,
+Brc1ccc(-c2nnc3sc(CNCc4ccc5c(c4)OCO5)cn23)cc1,0,4.0,
+Brc1ccc(-c2noc(C3CCCCC3)n2)cc1,0,0.0,
+Brc1ccc(-c2noc(CCc3ccccc3)n2)cc1,0,5.0,
+Brc1ccc(-c2noc(CCc3ccccc3)n2)o1,0,17.0,
+Brc1ccc(-c2noc(COc3ccc4c(c3)CCC4)n2)o1,0,7.0,
+Brc1ccc(-c2noc(COc3ccc4ccccc4c3)n2)o1,1,29.0,0.0
+Brc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccncc2)cc1,0,3.0,
+Brc1ccc(-n2cc(-c3ccccc3)c3c(NN4CCOCC4)ncnc32)cc1,0,0.0,
+Brc1ccc(-n2cccc2/C=N/n2cnnc2)cc1,0,2.0,
+Brc1ccc(/C=C/C=N/Nc2nc3ccccc3s2)cc1,0,0.0,
+Brc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)s1,0,3.0,
+Brc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1,0,4.0,
+Brc1ccc(/C=N/Nc2ccccc2)cc1,0,12.0,
+Brc1ccc(/C=N/Nc2ccccn2)cc1,0,0.0,
+Brc1ccc(/C=N/Nc2ncnc3c2cnn3Cc2ccccc2)cc1,0,0.0,
+Brc1ccc(/C=N/Nc2nncc(-c3ccccc3)n2)o1,0,0.0,
+Brc1ccc(/C=N/c2nc3ccccc3n2CCN2CCOCC2)cc1,0,1.0,
+Brc1ccc(C2=CC(c3ccco3)n3ncnc3N2)cc1,0,9.0,
+Brc1ccc(C2=CC(c3cccs3)n3ncnc3N2)cc1,0,11.0,
+Brc1ccc(C2=CSC3=NCCN23)cc1,0,0.0,
+Brc1ccc(C2=NC(Cc3ccccc3)CO2)cc1,0,8.0,
+Brc1ccc(C2=Nc3cccc4cccc(c34)N2)o1,0,0.0,
+Brc1ccc(C2=Nc3ccccc3C(c3ccncc3)=NN2)cc1,0,0.0,
+Brc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)s1,0,0.0,
+Brc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1,0,7.0,
+Brc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1,1,21.0,0.0
+Brc1ccc(C2C3=C(Nc4ncnn42)c2ccccc2OC3c2ccncc2)cc1,0,6.0,
+Brc1ccc(C2CC(c3ccccc3)=Nc3ccccc3N2)cc1,0,15.0,
+Brc1ccc(C2N3CCCN23)cc1,0,0.0,
+Brc1ccc(C2NCCS2)cc1,0,0.0,
+Brc1ccc(C2Nc3cccc4cccc(c34)N2)o1,0,0.0,
+Brc1ccc(C2Nc3cccc4cccc(c34)N2)s1,0,0.0,
+Brc1ccc(C=Nc2ccc(Nc3ccccc3)cc2)s1,0,0.0,
+Brc1ccc(C=Nc2ccc3c(c2)OCCOCCOCCO3)s1,0,0.0,
+Brc1ccc(CN2C3=NCCCN3c3ccccc32)cc1,0,12.0,
+Brc1ccc(CN2CCN(c3ccccn3)CC2)s1,0,0.0,
+Brc1ccc(CN2CCNCC2)s1,0,6.0,
+Brc1ccc(CN2CCSCC2)cc1,0,7.0,
+Brc1ccc(CNCc2cccs2)cc1,0,2.0,
+Brc1ccc(CNc2cc3c(cc2Br)OCCO3)cc1,0,8.0,
+Brc1ccc(COc2ncnc3ccccc23)cc1,0,0.0,
+Brc1ccc(COn2ccnc2)cc1,0,0.0,
+Brc1ccc(CSc2ccc(-c3ccco3)nn2)cc1,0,5.0,
+Brc1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)cc1,0,13.0,
+Brc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1,0,0.0,
+Brc1ccc(CSc2nccn2-c2ccccc2)cc1,0,3.0,
+Brc1ccc(CSc2ncn[nH]2)cc1,0,16.0,
+Brc1ccc(CSc2ncnc3nc[nH]c23)cc1,0,7.0,
+Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1,0,19.0,
+Brc1ccc(CSc2nnc(-c3cccnc3)o2)cc1,0,6.0,
+Brc1ccc(CSc2nnc(-c3ccco3)o2)cc1,0,14.0,
+Brc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1,0,18.0,
+Brc1ccc(CSc2nnc(Cc3c[nH]c4ccccc34)o2)cc1,0,9.0,
+Brc1ccc(CSc2nnc3ccccn23)cc1,0,6.0,
+Brc1ccc(Cn2c(-c3ccc(Br)o3)nc3ccccc32)o1,1,29.0,
+Brc1ccc(Cn2c(-c3cncs3)nc3ccccc32)cc1,0,10.0,
+Brc1ccc(N/N=C(/N=Nc2nn[nH]n2)c2ccccc2)cc1,0,0.0,
+Brc1ccc(N=C(c2ccccc2)c2ccncc2)cc1,0,0.0,
+Brc1ccc(N=C/C=C/C=C/Nc2ccc(Br)cc2)cc1,0,0.0,
+Brc1ccc(N=Cc2ccccn2)cc1,0,4.0,
+Brc1ccc(NC2=Nc3ccccc3CC2)cc1,0,3.0,
+Brc1ccc(NCc2cccc3ccccc23)nc1,0,4.0,
+Brc1ccc(NCc2nnc3n2CCCCC3)cc1,0,0.0,
+Brc1ccc(Nc2c3c(nc4ncnn24)CCC3)cc1,0,1.0,
+Brc1ccc(Nc2nc(-c3cccnc3)cs2)cc1,0,0.0,
+Brc1ccc(Nc2nc3ccccc3n3nnnc23)cc1,0,4.0,
+Brc1ccc(OCCCCCN2CCOCC2)cc1,0,0.0,
+Brc1ccc(OCCCN2CCOCC2)cc1,0,0.0,
+Brc1ccc(OCCOCCN2CCOCC2)cc1,0,9.0,
+Brc1ccc(OCCOCCOc2cccc3cccnc23)cc1,0,8.0,
+Brc1ccc(OCCOc2cccc3cccnc23)cc1,0,3.0,
+Brc1ccc(OCCn2ccnc2)cc1,0,0.0,
+Brc1ccc(OCc2ccccc2)c(CNCC2CCCO2)c1,0,10.0,
+Brc1ccc(OCc2ccccc2)c(CNCc2ccncc2)c1,0,8.0,
+Brc1ccc(OCc2cn3ccccc3n2)cc1,0,0.0,
+Brc1ccc(OCc2nc(-c3ccccn3)n[nH]2)cc1,0,5.0,
+Brc1ccc(OCc2nnc(SCC3CCCCC3)o2)cc1,0,6.0,
+Brc1ccc(OCc2nnc3n2CCC3)cc1,0,0.0,
+Brc1ccc(OCc2nnnn2-c2ccccc2)cc1,0,6.0,
+Brc1ccc(Oc2ncc(CN3CCN(c4ccccc4)CC3)s2)cc1,0,7.0,
+Brc1ccc(Oc2ncc(CN3CCOCC3)s2)cc1,0,2.0,
+Brc1ccc(Oc2nnnn2-c2ccccc2)cc1,0,2.0,
+Brc1ccc(Oc2nsnc2N2CCOCC2)cc1,0,14.0,
+Brc1ccc(Sc2cnc3ccccc3n2)cc1,0,1.0,
+Brc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1,0,4.0,
+Brc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1,0,0.0,
+Brc1ccc2[nH]cc(/C=N/N3CCCCC3)c2c1,0,0.0,
+Brc1ccc2[nH]ncc2c1,0,1.0,
+Brc1ccc2c(c1)C(C1=NCCN1)c1ccccc1CS2,0,5.0,
+Brc1ccc2c(c1)C(OC1CN3CCC1CC3)c1ccccc1CS2,0,12.0,
+Brc1ccc2c(c1)C(c1ccc(N3CCOCC3)cc1)=NNC(c1cccs1)=N2,0,0.0,
+Brc1ccc2c(c1)C(c1cccnc1)=NNC(c1cccs1)=N2,0,0.0,
+Brc1ccc2c(c1)C(c1cccs1)=NNC(c1cccnc1)=N2,0,0.0,
+Brc1ccc2c(c1)C=Nc1c(ncnc1N1CCCCC1)O2,0,7.0,
+Brc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2,0,0.0,
+Brc1ccc2c(c1)CNc1c(ncnc1N1CCOCC1)O2,0,0.0,
+Brc1ccc2c(c1)OCCOCCOCCOCCOCCO2,0,8.0,
+Brc1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,0,0.0,
+Brc1ccc2c(c1)OCCOCCOc1cc(Br)ccc1OCCOCCOCCO2,0,18.0,
+Brc1ccc2cccnc2c1,0,1.0,
+Brc1ccc2nc(-c3c[nH]c4ccccc34)cn2c1,0,3.0,
+Brc1ccc2nc(-c3cccs3)c(NCC3CCCO3)n2c1,0,0.0,
+Brc1ccc2nc(-c3ccncc3)c(NC3CCCC3)n2c1,0,0.0,
+Brc1ccc2nc(CSc3ncn[nH]3)cn2c1,0,4.0,
+Brc1ccc2nc(N3CCCC3)sc2c1,0,0.0,
+Brc1ccc2nc(N3CCN(c4ccccc4)CC3)sc2c1,0,0.0,
+Brc1ccc2nc3c(n2c1)CCCC3,0,0.0,
+Brc1ccc2ncc(Br)cc2c1,0,1.0,
+Brc1ccc2ncnc(NCc3ccccc3)c2c1,0,0.0,
+Brc1ccc2ncnc(NCc3ccco3)c2c1,0,0.0,
+Brc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1,0,0.0,
+Brc1ccc2ncnc(Nc3cccc4ccccc34)c2c1,0,0.0,
+Brc1ccc2oc3c(N4CCOCC4)ncnc3c2c1,0,6.0,
+Brc1cccc(-c2cnc3n2CCCCC3)c1,0,6.0,
+Brc1cccc(-c2cnco2)c1,0,4.0,
+Brc1cccc(-c2n[nH]c(-c3ccccc3)n2)c1,0,0.0,
+Brc1cccc(-c2nc(-c3ccncc3)no2)c1,0,12.0,
+Brc1cccc(-c2nnc(-c3ccccc3)o2)c1,0,19.0,
+Brc1cccc(-c2nnc(SCc3ccon3)n2-c2ccccc2)c1,0,0.0,
+Brc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1,0,8.0,
+Brc1cccc(-c2nnc3n2CCC3)c1,0,0.0,
+Brc1cccc(-c2nnc3n2CCCCC3)c1,0,0.0,
+Brc1cccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)c1,0,3.0,
+Brc1cccc(-c2nnc3sc(CN4CCCCC4)cn23)c1,0,3.0,
+Brc1cccc(-c2nnc3sc(CNC4CCCC4)cn23)c1,0,1.0,
+Brc1cccc(-c2nnc3sc(CNCc4ccco4)cn23)c1,0,6.0,
+Brc1cccc(-c2nnco2)c1,0,0.0,
+Brc1cccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1,0,0.0,
+Brc1cccc(/C=N/Nc2nn[nH]n2)c1,0,0.0,
+Brc1cccc(/C=N\n2cnnc2)c1,0,3.0,
+Brc1cccc(C2CC(c3ccccc3)n3nnnc3N2)c1,0,1.0,
+Brc1cccc(CN2CCCCCCC2)c1,0,2.0,
+Brc1cccc(CNCCCN2CCOCC2)c1,0,0.0,
+Brc1cccc(CNCc2cccs2)c1,0,2.0,
+Brc1cccc(CNc2nc3ccccc3n2CCN2CCOCC2)c1,0,8.0,
+Brc1cccc(CSc2nnc(-c3ccncc3)o2)c1,0,1.0,
+Brc1cccc(Cn2c(-c3cncs3)nc3ccccc32)c1,0,12.0,
+Brc1cccc(OCCCCN2CCCCC2)c1,0,3.0,
+Brc1cccc(OCCCN2CCCCCC2)c1,0,7.0,
+Brc1cccc(OCCN2CCCCC2)c1,0,2.0,
+Brc1cccc(OCCOCCn2ccnc2)c1,0,2.0,
+Brc1cccc(OCCSc2ncccn2)c1,0,0.0,
+Brc1cccc(OCCn2ccnc2)c1,0,6.0,
+Brc1cccc2sc(N3CCCC3)nc12,0,2.0,
+Brc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12,0,8.0,
+Brc1ccccc1-c1cnco1,0,1.0,
+Brc1ccccc1-c1csnn1,0,11.0,
+Brc1ccccc1-c1nc(-c2ccccc2)no1,0,0.0,
+Brc1ccccc1-c1nnc(-c2cccnc2)o1,0,2.0,
+Brc1ccccc1-c1nnc(COc2cccc3cccnc23)o1,0,1.0,
+Brc1ccccc1-c1nnc(COc2ncnc3c2cnn3-c2ccccc2)o1,0,2.0,
+Brc1ccccc1-c1nnc(CSc2nnc3sc4ccccc4n23)o1,0,0.0,
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+C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)Cc1csc(N)n1,0,0.0,
+C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl,0,5.0,
+C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccccn1,0,5.0,
+C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccncc1,0,0.0,
+C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1cnccn1,0,0.0,
+C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1,0,7.0,
+C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1cccc(C)c1,0,3.0,
+C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1ccccc1C,0,0.0,
+C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N/NC(=O)C1CC12CCC2,0,0.0,
+C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)C(=O)Nc1ccccc1C,0,4.0,
+C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccccn1,0,0.0,
+C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)C(c1ccccc1)c1ccccc1,0,6.0,
+C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)OC(C)(C)C,0,1.0,
+C/C(CC(=O)Nc1ccc2ccccc2c1)=N\NC(=O)c1cnccn1,0,0.0,
+C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C(=O)NCC(C)C,0,1.0,
+C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C1CCCCC1,0,1.0,
+C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)Cc1ccccc1,0,0.0,
+C/C(CC(=O)Nc1cccc(Cl)c1)=N\NC(=O)Cc1ccc(Cl)cc1,0,1.0,
+C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)C(=O)NCC(C)C,0,0.0,
+C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)Cc1csc(N)n1,0,3.0,
+C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)c1ccccc1Br,0,0.0,
+C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)c1ccccc1C,0,0.0,
+C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)c1ccccc1N,0,5.0,
+C/C(CC(=O)Nc1cccc(F)c1)=N\NC(=O)C(=O)NC1CCCCC1,0,0.0,
+C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)COc1ccccc1,0,0.0,
+C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1cccc2ccccc12,0,4.0,
+C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccccc1N,0,6.0,
+C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC=O,0,0.0,
+C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccc(C)cc1Br,0,4.0,
+C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)COc1ccc(C)cc1Br,0,6.0,
+C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)C(=O)N1CCCC1,0,0.0,
+C/C(CC(=O)Nc1ccccc1C)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0,0.0,
+C/C(CC(=O)Nc1ccccc1C)=N\NC(=O)Cc1csc(N)n1,0,11.0,
+C/C(CC(=O)Nc1ccccc1Cl)=N\NC(=O)C(=O)NCCO,0,2.0,
+C/C(CC(=O)Nc1ccccc1F)=N\NC(=O)Cc1ccc(Cl)cc1,0,0.0,
+C/C(CC(=O)Nc1ccccc1[N+](=O)[O-])=N\NC(=O)COc1ccccc1C,0,0.0,
+C/C(CC(=O)Nc1ccccn1)=N\NC(=O)C(=O)Nc1cccc(C)c1,0,4.0,
+C/C(CC(=O)Nc1ccccn1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C,0,3.0,
+C/C(CC(=O)Nc1ccccn1)=N\NC(=O)C(=O)Nc1ccccc1C,0,0.0,
+C/C(CC(=O)Nc1ccccn1)=N\NC(=O)Cc1cccc2ccccc12,0,0.0,
+C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1ccc(C)cc1,0,12.0,
+C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1ccc2ccccc2c1,0,3.0,
+C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1cccc(C)c1,0,3.0,
+C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1ccccc1,0,3.0,
+C/C(CC(=O)Nc1cccnc1)=N\NC(=O)C(=O)Nc1cccc(C)c1,0,0.0,
+C/C(CC(=O)Nc1cccnc1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1,0,7.0,
+C/C(CC(=O)c1ccccc1)=N\NC(=O)CC#N,0,0.0,
+C/C(CC(C)(C)C1CCCCC1)=N\NC(N)=S,0,11.0,
+C/C(CC(C)(C)c1ccccc1)=N\NS(=O)(=O)c1ccccc1,0,0.0,
+C/C(CC(C)C)=N\NC(=O)Nc1ccccc1,0,0.0,
+C/C(CC(C)C)=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-],0,8.0,
+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(CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)=N\NC(N)=S,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(CC1(O)C(=O)Nc2ccccc21)=N\O,0,0.0,
+C/C(CC1CC(C)(C)OC1=O)=N/Nc1nc(-c2ccccc2)cs1,0,3.0,
+C/C(CC1CC(C)OC1=O)=N\NC(N)=S,0,9.0,
+C/C(CC1CC(COCC(C)C)OC1=O)=N\NC(N)=S,0,2.0,
+C/C(CC1CC(COCC(C)C)OC1=O)=N\Nc1nc(-c2ccccc2)cs1,0,0.0,
+C/C(CC1CC(COCCC(C)C)OC1=O)=N\NC(N)=S,0,0.0,
+C/C(CC1CC2=C(CC1(C)C)C(C)(C)CCC2)=N\NC(N)=S,0,12.0,
+C/C(CCC(=O)O)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0,1.0,
+C/C(CCC(=O)OC[C@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N\OC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O,0,0.0,
+C/C(CCC(=O)OC[C@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N\O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21,0,4.0,
+C/C(CCC(C)C)=N\NC(=O)COc1ccccc1-c1ccccc1,0,3.0,
+C/C(CCC(C)C)=N\NC(=S)NCc1ccccc1,0,7.0,
+C/C(CCC(C)C)=N\NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1,0,4.0,
+C/C(CCC(C)C)=N\Nc1cc(C)c2ccccc2n1,0,3.0,
+C/C(CCC(C)C)=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-],0,2.0,
+C/C(CCC12CC3CC(CC(C3)C1)C2)=N\NC(N)=S,0,1.0,
+C/C(CCC1CC(C)OC1=O)=N/Nc1nc(-c2ccccc2)cs1,0,0.0,
+C/C(CCCO)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0,0.0,
+C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\OC[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O,0,0.0,
+C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21,0,6.0,
+C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1,0,0.0,
+C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\O[C@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1,0,0.0,
+C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\OC[C@@H](C)[C@H](OCc1ccccc1)C(C)C,0,2.0,
+C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\O[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1,0,6.0,
+C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\O[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1,0,0.0,
+C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\O[C@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1,0,0.0,
+C/C(CCS(=O)(=O)c1ccccc1)=N/O,0,2.0,
+C/C(CCc1c[nH]c2ccccc12)=N\O,0,0.0,
+C/C(CCc1ccc2c(c1)OCO2)=N\N=C(/N)SC1CC(=O)N(c2ccc(Cl)cc2)C1=O,0,3.0,
+C/C(CCc1ccc2c(c1)OCO2)=N\N=C(/N)SC1CC(=O)N(c2ccccc2F)C1=O,0,8.0,
+C/C(CCc1ccc2c(c1)OCO2)=N\N=C1\NC(=O)CC(C(=O)Nc2ccc(Cl)cc2)S1,0,2.0,
+C/C(CCc1ccc2c(c1)OCO2)=N\N=C1\NC(=O)CC(C(=O)Nc2ccccc2)S1,0,14.0,
+C/C(CCc1ccc2c(c1)OCO2)=N\N=C1\NC(=O)CC(C(=O)Nc2ccccc2F)S1,0,17.0,
+C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccc(C)cc1C,0,4.0,
+C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccccc1,0,8.0,
+C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccccc1Br,0,6.0,
+C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccccc1Cl,0,9.0,
+C/C(CCc1ccc2c(c1)OCO2)=N\NC(=S)NC(C)C,0,2.0,
+C/C(CCc1ccccc1)=N/NC(=O)C(=O)NC(C)c1ccccc1,0,2.0,
+C/C(CCc1ccccc1)=N/NC(=O)C(=O)NCc1ccccc1,0,0.0,
+C/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1,0,0.0,
+C/C(CCc1ccccc1)=N\NC(=O)C1C2CCCCC21,0,1.0,
+C/C(CCc1ccccc1)=N\NC(=O)CC(=O)NCCc1ccccc1,0,3.0,
+C/C(CCc1ccccc1)=N\NC(=O)CCc1ccccc1,0,1.0,
+C/C(CCc1ccccc1)=N\NC(=O)COc1ccccc1C,0,6.0,
+C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN2CCOCC2)cc1,0,0.0,
+C/C(CCc1ccccc1)=N\NC(=O)c1ccccc1,0,7.0,
+C/C(CCc1ccccc1)=N\NC(=O)c1ccccc1[N+](=O)[O-],0,0.0,
+C/C(CCc1ccco1)=N/NC(=O)CCC(=O)Nc1ccc(Br)cc1,0,0.0,
+C/C(CCc1ccco1)=N/NC(=O)CCC(=O)Nc1cccc(Cl)c1,0,4.0,
+C/C(CCc1ccco1)=N\NC(=O)CNc1c(Br)cc(Br)cc1Br,0,1.0,
+C/C(CCc1ccco1)=N\NC(=O)CNc1cccc2ccccc12,0,1.0,
+C/C(CCc1oc2c(Br)cc(Br)cc2c1-c1ccc(C)o1)=N\O,0,4.0,
+C/C(CCc1oc2ccc(Br)cc2c1-c1ccc(C)o1)=N/O,0,6.0,
+C/C(CCc1oc2ccc(Cl)cc2c1-c1ccc(C)o1)=N\O,0,5.0,
+C/C(CCc1oc2ccccc2c1-c1ccc(C)o1)=N/O,0,3.0,
+C/C(CS(=O)(=O)c1ccc(Cl)c(Cl)c1)=N/NC(N)=S,0,1.0,
+C/C(CS(=O)(=O)c1ccc(Cl)cc1)=N/NC(N)=S,0,5.0,
+C/C(CS(=O)(=O)c1ccccc1)=N\O,0,0.0,
+C/C(Cc1ccccc1)=N/NC(=O)CCCC(=O)N/N=C(/C)Cc1ccccc1,0,1.0,
+C/C(Cc1ccccc1)=N\NC(=O)C1CCCCC1,0,3.0,
+C/C(Cc1ccccc1)=N\NC(=O)CCCCCC(=O)N/N=C(\C)Cc1ccccc1,0,0.0,
+C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccc(Br)cc1,0,0.0,
+C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1,0,0.0,
+C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1cccc(Br)c1,0,1.0,
+C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccccc1,0,1.0,
+C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccccc1Br,0,0.0,
+C/C(Cc1ccccc1)=N\NC(=O)c1cc(C(C)(C)C)[nH]n1,0,0.0,
+C/C(Cc1ccccc1)=N\NC(=O)c1ccc(F)cc1,0,0.0,
+C/C(Cc1ccccc1)=N\NC(=O)c1cccnc1,0,2.0,
+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,0,1.0,
+C/C(Cl)=C/CSc1nn2c(=O)c3ccccc3nc2s1,0,12.0,
+C/C(Cl)=C/CSc1nnc2n(N)c(=O)c3ccccc3n12,0,1.0,
+C/C(Cl)=C/Cc1c(C)[nH]c2ccc(C)cc2c1=O,0,4.0,
+C/C(Cl)=C/Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O,0,6.0,
+C/C(Cl)=C/Cn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,10.0,
+C/C(Cl)=C/Cn1c(NCCCn2ccnc2)nc2c1c(=O)[nH]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,0,10.0,
+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,0,3.0,
+C/C(Cl)=C\CNC(C)c1ccccc1,0,0.0,
+C/C(Cl)=C\COc1cc(C)nc2c(Br)cccc12,0,11.0,
+C/C(Cl)=C\CSc1nnc2n(N)c(=O)c3ccccc3n12,0,0.0,
+C/C(Cl)=C\Cn1c(=O)c2c(nc3n2CCS3)n(C)c1=O,0,3.0,
+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,0,3.0,
+C/C(Cl)=C\Cn1c(NCCCn2ccnc2)nc2c1c(=O)n(C)c(=O)n2C,0,3.0,
+C/C(Cl)=C\Cn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,7.0,
+C/C(Cl)=C\Cn1c(Nc2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C,0,1.0,
+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(Cl)=C\Cn1c(O)c(N=NC(N)=S)c2cc(Br)ccc21,0,0.0,
+C/C(Cl)=C\Cn1c(O)c(N=NC(N)=S)c2ccccc21,0,9.0,
+C/C(Cl)=C\Cn1c(O)c(N=O)c2ccccc21,0,3.0,
+C/C(Cn1cnc([N+](=O)[O-])n1)=N/NC(=O)COc1c(Cl)cc(Cl)cc1Cl,0,0.0,
+C/C(Cn1cnc([N+](=O)[O-])n1)=N/NC(=O)COc1ccccc1Cl,0,9.0,
+C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(Br)cc1,0,1.0,
+C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(F)cc1,0,2.0,
+C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(O)cc1O,0,0.0,
+C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1cccc(F)c1,0,0.0,
+C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1,0,0.0,
+C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1F,0,2.0,
+C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1O,0,4.0,
+C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1cccnc1,0,0.0,
+C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccncc1,0,3.0,
+C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)CCCOc1ccc(Cl)cc1Cl,0,11.0,
+C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl,0,0.0,
+C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)COc1ccc(Cl)cc1Cl,0,0.0,
+C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)COc1ccccc1[N+](=O)[O-],0,0.0,
+C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1ccc(C(C)(C)C)cc1,0,6.0,
+C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1ccc(O)cc1O,0,0.0,
+C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1cccc(Br)c1,0,0.0,
+C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1ccccc1Cl,0,1.0,
+C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(C)cc1,0,4.0,
+C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(Cl)c(Cl)c1,0,2.0,
+C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(O)cc1O,0,0.0,
+C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1cccc(Cl)c1,0,0.0,
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+C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccncc1,0,0.0,
+C/C(Cn1nnc2ccccc21)=N/OC(=O)c1c(F)cccc1F,0,0.0,
+C/C(Cn1nnc2ccccc21)=N\NC(=O)c1ccc(Br)cc1,0,0.0,
+C/C(Cn1nnc2ccccc21)=N\NC(=O)c1cccc(Br)c1,0,3.0,
+C/C(Cn1nnc2ccccc21)=N\OC(=O)c1cc(F)c(F)cc1Cl,0,3.0,
+C/C(Cn1nnc2ccccc21)=N\OC(=O)c1ccccc1C,0,2.0,
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+C/C(N)=C(/C#N)C(=O)COC(=O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(C)O,0,0.0,
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+C/C(N)=C(/C#N)C(=O)COC(=O)C1CCC(C(C)(C)C)CC1,0,0.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1,0,1.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)C1Cc2ccccc2CN1S(C)(=O)=O,0,3.0,
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+C/C(N)=C(/C#N)C(=O)COC(=O)CCS(=O)(=O)c1ccccc1,0,2.0,
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+C/C(N)=C(/C#N)C(=O)COC(=O)Cc1coc2cc(C)ccc12,0,7.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)Cc1coc2ccc3ccccc3c12,0,1.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C,0,1.0,
+C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12,0,3.0,
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+C/C(N)=C(/C#N)C(=O)COC(=O)c1cc2c(s1)CCCC2,0,0.0,
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+C/C(N)=C(/C#N)C(=O)CSc1cc(C)c2cc(C)cc(C)c2n1,0,0.0,
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+C/C(N)=C(/C#N)C(=O)CSc1n[nH]c(-c2ccccc2Br)n1,0,1.0,
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+C/C(N)=C(/C#N)C(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1,0,0.0,
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+C/C(N)=C(/C#N)C(=O)CSc1nc2cc(Cl)ccc2s1,0,1.0,
+C/C(N)=C(/C#N)C(=O)CSc1nc2ccc(C)cc2[nH]1,0,2.0,
+C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2[nH]1,0,0.0,
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+C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C,0,6.0,
+C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2n1CC(C)C,0,7.0,
+C/C(N)=C(/C#N)C(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1C,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1C,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1ncnc2ccccc12,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1,0,2.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,0,1.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccccc2Br)o1,0,4.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(C)n1-c1ccccc1,0,0.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(COc2cc(C)ccc2C)o1,0,1.0,
+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,0,2.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(NC(C)C)s1,0,1.0,
+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(Nc2ccccc2)s1,0,2.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnc(Nc2ccccc2C)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)CSc1nncn1-c1ccccc1,0,0.0,
+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,0,2.0,
+C/C(N)=C(/C#N)C(=O)CSc1nnnn1-c1ccccc1,0,0.0,
+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)cc1,0,3.0,
+C/C(NC(=O)c1cccc(F)c1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C,0,11.0,
+C/C(NC(=O)c1ccccc1)=C1/C(=O)CC2C1C2(C)C,0,10.0,
+C/C(NC(=O)c1ccccc1F)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C,0,4.0,
+C/C(NC(=O)c1cccs1)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C,1,21.0,
+C/C(NC1CCCC1)=C(/C#N)C(N)=O,0,0.0,
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+C/C(Nc1ccc(Cl)cc1)=C(/C#N)C(N)=O,0,0.0,
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+C/C(O)=C(/C=NCC(=O)O)C(=O)Nc1nccs1,0,1.0,
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+C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@]32C(=O)/C=C/C(=O)[C@@H]1O,1,39.0,1.0
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+C/C=C(\C)C(=O)NCCN1C2=NC[C@@H](C)N2C[C@@H]1Cc1ccc(OC)cc1,0,0.0,
+C/C=C(\C)C(=O)NCCN1C2=NC[C@@H](C)N2C[C@H]1Cc1ccc(O)cc1,0,0.0,
+C/C=C(\C)C(=O)NCCN1C2=NC[C@@H](Cc3ccccc3)N2C[C@H]1Cc1ccc(O)cc1,0,0.0,
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+C/C=C(\C)C(=O)NCCN1C2=NC[C@H](C(C)C)N2C[C@H]1Cc1ccc(O)cc1,0,2.0,
+C/C=C(\C)C(=O)NCCN1C2=NC[C@H](C)N2C[C@@H]1Cc1ccc(OC)cc1,0,0.0,
+C/C=C(\C)C(=O)NCCN1C2=NC[C@H](Cc3ccc(O)cc3)N2C[C@@H]1Cc1ccc(OC)cc1,0,2.0,
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+C/C=C(\C)C(=O)NCCN1C2=NC[C@H](Cc3ccccc3)N2C[C@H]1Cc1ccc(O)cc1,0,2.0,
+C/C=C(\C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(C)=O,0,3.0,
+C/C=C(\C)CN1CCCC(CO)(Cc2ccccc2)C1,0,2.0,
+C/C=C(\C)CN1CCN(c2cc(C)ccc2C)CC1,0,4.0,
+C/C=C(\C)CN1CCN(c2ccc(C)cc2)CC1,0,0.0,
+C/C=C(\C)CN1CCN(c2cccc(C)c2C)CC1,0,10.0,
+C/C=C(\C)CN1CCN(c2ccccc2)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(=O)N(CC)c1ccccc1C,0,0.0,
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+C/C=C/C(=O)NCCc1ccc(OC)c(OC)c1,0,0.0,
+C/C=C/C(=O)Nc1cccc(C(F)(F)F)c1,0,2.0,
+C/C=C/C(=O)Nc1ccccc1Br,0,0.0,
+C/C=C/C(=O)Nc1nnc(-c2ccccc2C)s1,0,0.0,
+C/C=C/C(=O)Nc1nnc(C(C)C)s1,0,0.0,
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+C/C=C/C(=O)OCC(=O)Nc1ccc(OC)c(Cl)c1,0,4.0,
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+C=CCn1c(C2CC2)n[nH]c1=S,0,7.0,
+C=CCn1c(C2CCCCC2)n[nH]c1=S,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(CC(C)(C)C)nc2ccccc21,0,0.0,
+C=CCn1c(CCC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1ccccc1C,0,0.0,
+C=CCn1c(CCC(=O)O)ccc1-c1ccc(F)cc1,0,9.0,
+C=CCn1c(CCC(=O)O)ccc1-c1ccc(OC)cc1,0,0.0,
+C=CCn1c(CCC(=O)O)ccc1-c1ccccc1,0,0.0,
+C=CCn1c(CCC(O)CCCCC)n[nH]c1=S,0,0.0,
+C=CCn1c(CCC(O)COCCC)n[nH]c1=S,0,2.0,
+C=CCn1c(CCC)nc2ccccc21,0,0.0,
+C=CCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21,0,0.0,
+C=CCn1c(CCCNC(=O)CCC)nc2ccccc21,0,0.0,
+C=CCn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21,0,0.0,
+C=CCn1c(CCCOc2ccc(Cl)cc2Cl)n[nH]c1=S,0,4.0,
+C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nccs1,0,0.0,
+C=CCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21,0,4.0,
+C=CCn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCCOc1ccc(OC)cc1,0,0.0,
+C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(OC)cc1,0,0.0,
+C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc(C)cs1,0,1.0,
+C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc2ccccc2s1,0,0.0,
+C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCc1nc2ccccc2c(=O)[nH]1,0,3.0,
+C=CCn1c(CCNC(=O)c2cccs2)n[nH]c1=S,0,5.0,
+C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(C(C)=O)c1,0,5.0,
+C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(Cl)c1C,0,0.0,
+C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(F)c1,0,1.0,
+C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Br)cc1,0,0.0,
+C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Cl)cc1,0,5.0,
+C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1,0,0.0,
+C=CCn1c(CCSCc2ccc(OC)c(C)c2)n[nH]c1=S,0,5.0,
+C=CCn1c(CCSCc2ccccc2)n[nH]c1=S,0,0.0,
+C=CCn1c(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n[nH]c1=S,0,18.0,
+C=CCn1c(CCc2ccc(OC(C)C)cc2)n[nH]c1=S,0,4.0,
+C=CCn1c(CCn2c3ccccc3c3ccccc32)n[nH]c1=S,0,0.0,
+C=CCn1c(CNC(=O)CCC)nc2ccccc21,0,4.0,
+C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)NC1CCCC1,0,3.0,
+C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)NC(C)c1ccccc1,0,0.0,
+C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1nc2ccccc2c(=O)[nH]1,0,0.0,
+C=CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21,0,3.0,
+C=CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(Br)c1,0,0.0,
+C=CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(F)c1,0,4.0,
+C=CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1ccc(OC)cc1,0,0.0,
+C=CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1ccccc1,0,0.0,
+C=CCn1c(CNC(=O)c2cccs2)n[nH]c1=S,0,0.0,
+C=CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1,0,2.0,
+C=CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Br)cc1,0,0.0,
+C=CCn1c(CNC(=O)c2cccs2)nnc1SCc1ccc(Cl)cc1Cl,0,0.0,
+C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(O)cc1,0,0.0,
+C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(O)cc1O,0,0.0,
+C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(O)cc1O,0,0.0,
+C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1ccccc1O,0,0.0,
+C=CCn1c(COC)nnc1SCC(=O)c1ccc(F)cc1,0,0.0,
+C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O,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(CC)cc2)nnc1SCC(=O)NC1CCS(=O)(=O)C1,0,0.0,
+C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cccc(O)c1,0,0.0,
+C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccccc1,0,3.0,
+C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,0,1.0,
+C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NCC(=O)OCC,0,0.0,
+C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1,0,0.0,
+C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O,0,1.0,
+C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C#N)cc1,0,10.0,
+C=CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,0,1.0,
+C=CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)NC(=O)NCc1ccco1,0,1.0,
+C=CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1,0,0.0,
+C=CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)c1c[nH]c2c(CC)cccc12,0,0.0,
+C=CCn1c(COc2ccc(OC)cc2)nnc1SCn1nnc2ccccc2c1=O,0,12.0,
+C=CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1cccc(SC)c1,0,3.0,
+C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)NC(=O)NCc1ccco1,0,0.0,
+C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)c1c[nH]c2c(CC)cccc12,0,3.0,
+C=CCn1c(COc2cccc(C)c2)nnc1SCn1nnc2ccccc2c1=O,0,1.0,
+C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,0,0.0,
+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,0,3.0,
+C=CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)O,0,0.0,
+C=CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)OC,0,4.0,
+C=CCn1c(COc2ccccc2)nnc1SC(C)C(=O)N/N=C/c1cc(Cl)ccc1O,0,4.0,
+C=CCn1c(COc2ccccc2)nnc1SCC(=O)C(C)(C)C,0,8.0,
+C=CCn1c(COc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(Cl)ccc1O,0,7.0,
+C=CCn1c(COc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(C)cc1,0,6.0,
+C=CCn1c(COc2ccccc2)nnc1SCC(=O)NCC(=O)OCC,0,6.0,
+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(COc2ccccc2-c2ccccc2)nnc1SCC(=O)NC(=O)NCc1ccco1,0,6.0,
+C=CCn1c(COc2ccccc2C)nnc1SCC(=O)O,0,1.0,
+C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+C=CCn1c(COc2ccccc2F)nnc1SCC(=O)NC(=O)NCc1ccco1,0,0.0,
+C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cc(C)on1,0,0.0,
+C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cc2oc3ccccc3c2cc1OC,0,2.0,
+C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1c[nH]c2ccccc12,0,0.0,
+C=CCn1c(COc2ccccc2F)nnc1SCCN1C(=O)c2ccccc2C1=O,0,0.0,
+C=CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)NCc1ccccc1,0,0.0,
+C=CCn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)NCc1ccccc1,0,5.0,
+C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,0,2.0,
+C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)NCc1ccccc1,0,7.0,
+C=CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S,0,2.0,
+C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCCN1CCOCC1,0,5.0,
+C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCc1ccccc1,0,3.0,
+C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCc1cccnc1,0,0.0,
+C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCc1ccco1,0,6.0,
+C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)OCC,0,7.0,
+C=CCn1c(Cc2c(C)[nH]c3ccccc23)nnc1SCC(=O)NCc1ccc(F)cc1,0,0.0,
+C=CCn1c(Cc2c[nH]c3ccccc23)n[nH]c1=S,0,5.0,
+C=CCn1c(Cc2c[nH]c3ccccc23)nnc1SCC(=O)NCc1ccccc1,0,2.0,
+C=CCn1c(Cc2ccc(OC(C)C)c(Cl)c2)nnc1SCC(N)=O,0,0.0,
+C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)NCCc1ccccc1,0,4.0,
+C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1,0,2.0,
+C=CCn1c(Cc2ccc(OC)cc2)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(Cc2cccc3ccccc23)n[nH]c1=S,0,6.0,
+C=CCn1c(Cc2ccccc2)n[nH]c1=S,0,0.0,
+C=CCn1c(Cc2ccccc2)nnc1SCc1nc2ccccc2c(=O)[nH]1,0,0.0,
+C=CCn1c(Cc2cccs2)nnc1SC/C=C/c1ccccc1,0,12.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)NCc1ccco1,0,5.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(OC)cc(OC)c1,0,0.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1,0,6.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(OC)c(OC)c1,0,0.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(OC)cc1,0,4.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(OC)c1,0,0.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(F)cc1,0,6.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc2ccccc2c1,0,9.0,
+C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1cccc(Br)c1,0,6.0,
+C=CCn1c(Cc2csc(N)n2)nnc1SCC(=O)NC1CCCCC1,0,4.0,
+C=CCn1c(Cc2csc(N)n2)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1,0,1.0,
+C=CCn1c(Cc2csc(N)n2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F,0,1.0,
+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,0,1.0,
+C=CCn1c(Cc2csc(N)n2)nnc1SCc1ccc(C(=O)OC)cc1,0,0.0,
+C=CCn1c(Cc2nc3ccc(Cl)cc3[nH]2)n[nH]c1=S,0,0.0,
+C=CCn1c(Cc2nc3ccccc3[nH]2)n[nH]c1=S,0,1.0,
+C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cc(Br)cc(OC)c1O,0,0.0,
+C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccccc1OC,0,0.0,
+C=CCn1c(N)c(-c2nc3ccccc3n2C)sc1=S,0,5.0,
+C=CCn1c(N)c(C(=O)N2CCN(C)CC2)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)N2CCOCC2)sc1=S,0,1.0,
+C=CCn1c(N)c(C(=O)NC2CCCCC2)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21,0,4.0,
+C=CCn1c(N)c(C(=O)NCC2CCCO2)sc1=S,0,2.0,
+C=CCn1c(N)c(C(=O)NCCC2=CCCCC2)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)NCc2cccnc2)sc1=S,0,4.0,
+C=CCn1c(N)c(C(=O)NCc2ccco2)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(N)c(C(=O)Nc2ccc(C)cc2)sc1=S,0,0.0,
+C=CCn1c(N)c(C(=O)Nc2cccc(C)c2)c2nc3ccccc3nc21,0,0.0,
+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)c2nc3ccccc3nc21,0,5.0,
+C=CCn1c(N)c(C(=O)OCC(C)C)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(N)c(C(=O)OCC)sc1=S,0,5.0,
+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)nc1SC(C)C(=O)Nc1cccc2ccccc12,0,2.0,
+C=CCn1c(N)cc(=O)nc1SCC(=O)N(c1ccccc1)c1ccccc1,0,0.0,
+C=CCn1c(N)cc(=O)nc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1,0,11.0,
+C=CCn1c(N)cc(=O)nc1SCC(=O)NC(C)c1ccccc1,0,0.0,
+C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccc(C)cc1,0,4.0,
+C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccc2ccccc2c1,0,0.0,
+C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12,0,5.0,
+C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccccc1,0,0.0,
+C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccccc1C(N)=O,0,17.0,
+C=CCn1c(N)nc2ccccc21,0,7.0,
+C=CCn1c(N/N=C/c2ccc(O)cc2)nc2ccccc2c1=O,0,0.0,
+C=CCn1c(N2C(=O)CC(Cc3ccccc3)C2=O)nc2ccccc21,0,8.0,
+C=CCn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,1.0,
+C=CCn1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C,0,5.0,
+C=CCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0,6.0,
+C=CCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,6.0,
+C=CCn1c(NC(=O)CC)c(C(=O)OCC)sc1=S,0,4.0,
+C=CCn1c(NC(=O)c2ccc(Br)o2)c(C(=O)OCC)sc1=S,0,4.0,
+C=CCn1c(NC(=O)c2ccc(Br)o2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(NC(=O)c2ccc(C)cc2)c(C#N)sc1=N,0,0.0,
+C=CCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc21,0,0.0,
+C=CCn1c(NC(C)c2cc(Cl)ccc2O)nc2ccccc21,0,0.0,
+C=CCn1c(NC)cc(=O)n(C)c1=O,0,3.0,
+C=CCn1c(NCCO)nc2c1c(=O)n(C)c(=O)n2C,0,5.0,
+C=CCn1c(NCCO)nc2sc3c(c2c1=O)CCC3,0,3.0,
+C=CCn1c(NCCOC)nc2c1c(=O)n(C)c(=O)n2C,0,1.0,
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+C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2sc(C)c(-c3ccccc3)c2c1=O,0,6.0,
+C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2sc(C)c(C)c2c1=O,0,4.0,
+C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2scc(-c3ccccc3)c2c1=O,0,11.0,
+C=CCn1c(SCC(=O)Nc2c(C)nn(Cc3ccccc3)c2C)nnc1C(O)c1ccccc1,0,1.0,
+C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccco1,0,4.0,
+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-c1ccco1,0,6.0,
+C=CCn1c(SCC(=O)Nc2cc(C)nn2-c2ccccc2)nnc1C1CCCCC1,0,2.0,
+C=CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc(C)c(C)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc(CC)cc2c1=O,0,3.0,
+C=CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc3c(c2c1=O)CCCC3,0,0.0,
+C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1C1COc2ccccc2O1,0,5.0,
+C=CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccccn1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1cccnc1,0,5.0,
+C=CCn1c(SCC(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)nnc1-c1ccncc1,0,1.0,
+C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1cnccn1,0,6.0,
+C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1ccccc1,0,4.0,
+C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1ccncc1,0,0.0,
+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-c1cccs1,0,5.0,
+C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1-c1sc(N)nc1C,0,9.0,
+C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cccnc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2cc(C(=O)O)ccc2c1=O,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-c1ccncc1,0,1.0,
+C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O,0,3.0,
+C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccs1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1,0,3.0,
+C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1,0,1.0,
+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,0,2.0,
+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)c1cccs1,0,7.0,
+C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cnccn1,0,1.0,
+C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccnc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nc(O)c(CC)c1=O,0,4.0,
+C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cnccn1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccccc2)nc2scc(-c3cccs3)c2c1=O,0,1.0,
+C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc2cc(C(=O)O)ccc2c1=O,0,3.0,
+C=CCn1c(SCC(=O)Nc2ccccc2C)nc2sc(C)c(C)c2c1=O,0,2.0,
+C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccncc1,0,2.0,
+C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccncc1,0,3.0,
+C=CCn1c(SCC(=O)Nc2ccccc2OC)nc(O)c(CC)c1=O,0,0.0,
+C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccccn1,0,1.0,
+C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1,0,2.0,
+C=CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccc(C(C)(C)C)cc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccc(Cl)cc1,0,1.0,
+C=CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccccc1F,0,1.0,
+C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(C)NC(=O)c1ccccc1Cl,0,4.0,
+C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(CO)NC(=O)c1ccccc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(NC(=O)c1ccccc1)C(C)C,0,0.0,
+C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1O,0,0.0,
+C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)nnc1-c1ccncc1,0,3.0,
+C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nnc1-c1ccncc1,0,12.0,
+C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1ccncc1,0,14.0,
+C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2cccc(OC)c2o1,0,9.0,
+C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cccnc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2nnc(CC)s2)nnc1-c1cccnc1,0,2.0,
+C=CCn1c(SCC(=O)Nc2nnc(CC)s2)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCC(=O)Nc2nnc(CC)s2)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nnc1-c1sc(N)nc1C,0,0.0,
+C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1C1COc2ccccc2O1,0,9.0,
+C=CCn1c(SCC(=O)Nc2sccc2C#N)nc2sc(C)c(C)c2c1=O,0,4.0,
+C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccc(Cl)cc2c1=O,0,0.0,
+C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O,0,3.0,
+C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2sc(C)c(C)c2c1=O,0,4.0,
+C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2sc(CC)cc2c1=O,0,0.0,
+C=CCn1c(SCC(=O)O)nc2sc(CC)cc2c1=O,0,5.0,
+C=CCn1c(SCC(=O)O)nnc1-c1ccc(C(C)(C)C)cc1,0,0.0,
+C=CCn1c(SCC(=O)O)nnc1-c1cccc(Cl)c1,0,2.0,
+C=CCn1c(SCC(=O)O)nnc1-c1ccccc1,0,4.0,
+C=CCn1c(SCC(=O)O)nnc1-c1cccs1,0,2.0,
+C=CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCN(C)C3,0,0.0,
+C=CCn1c(SCC(=O)OCC)nc(C(F)(F)F)cc1=O,0,1.0,
+C=CCn1c(SCC(=O)OCC)nc2cc(C(=O)NCc3ccco3)ccc2c1=O,0,8.0,
+C=CCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0.0,
+C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)nc2scc(-c3ccc(OC)c(OC)c3)c2c1=O,0,2.0,
+C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nc2scc(-c3ccc(OC)c(OC)c3)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nc2scc(-c3ccc(OC)cc3)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nc2scc(-c3ccccc3)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccncc1,0,2.0,
+C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc(C)c(C)c2c1=O,0,1.0,
+C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc(CC)cc2c1=O,0,0.0,
+C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccccc1F,0,3.0,
+C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCC(=O)c2c(N)n(CCC)c(=O)n(C)c2=O)nc2sc(CC)cc2c1=O,0,0.0,
+C=CCn1c(SCC(=O)c2c(N)n(CCC)c(=O)n(C)c2=O)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCC(=O)c2cc(C)n(C(C)COC)c2C)nc2sc(C)c(C)c2c1=O,0,8.0,
+C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1ccncc1,0,2.0,
+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-c1ccccc1,0,14.0,
+C=CCn1c(SCC(=O)c2cc(C)n(CCOC)c2C)nc2sc(C)c(C)c2c1=O,0,0.0,
+C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1C(C)NC(=O)Cc1ccc(OC)cc1,0,0.0,
+C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1C(CC(C)C)NC(=O)c1cccs1,0,0.0,
+C=CCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nc2ccccc2c1=O,0,12.0,
+C=CCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nc2scc(C3CC3)c2c1=O,0,4.0,
+C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc2c(c1)OCO2,0,7.0,
+C=CCn1c(SCC(=O)c2ccc(Cl)s2)nc2ccccc2c1=O,0,5.0,
+C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc2c(c1)OCO2,0,1.0,
+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)nnc1-c1ccc2c(c1)OCO2,0,2.0,
+C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1C(C)NC(=O)c1cccs1,0,9.0,
+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)nc2ccccc2c1=O,0,3.0,
+C=CCn1c(SCC(=O)c2cccs2)nc2sc(C)c(C)c2c1=O,0,10.0,
+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(=O)c2cccs2)nnc1-c1cccc(OC)c1,0,8.0,
+C=CCn1c(SCC(C)=O)nnc1-c1cc(-c2ccccc2)sc1N,0,0.0,
+C=CCn1c(SCC(N)=O)nc(C)cc1=O,0,2.0,
+C=CCn1c(SCC(N)=O)nc2scc(-c3ccc(C)o3)c2c1=O,0,3.0,
+C=CCn1c(SCC(N)=O)nnc1-c1cc(Br)ccc1O,0,0.0,
+C=CCn1c(SCC(N)=O)nnc1-c1cc2c(s1)CCC(CC)C2,0,2.0,
+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(SCC)nc(O)cc1=O,0,18.0,
+C=CCn1c(SCC)nc2sc3c(c2c1=O)CCc1ccccc1-3,0,5.0,
+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,0,5.0,
+C=CCn1c(SCCC(=O)O)nnc1-c1cccs1,0,0.0,
+C=CCn1c(SCCC)nc(O)cc1=O,0,4.0,
+C=CCn1c(SCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3,0,7.0,
+C=CCn1c(SCCCC)nc(O)cc1=O,0,5.0,
+C=CCn1c(SCCCCCC)nc(O)cc1=O,0,17.0,
+C=CCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
+C=CCn1c(SCCN2C(=O)c3ccccc3C2=O)nc2scc(-c3ccccc3)c2c1=O,0,0.0,
+C=CCn1c(SCCN2CCCC2)nc2c([nH]c3ccccc32)c1=O,0,4.0,
+C=CCn1c(SCCN2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,2.0,
+C=CCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,2.0,
+C=CCn1c(SCCOC)nc2c1c(=O)[nH]c(=O)n2C,0,2.0,
+C=CCn1c(SCCOc2ccc(OC)cc2)nnc1C(C)NC(=O)Cc1ccc(OC)cc1,0,0.0,
+C=CCn1c(SCCOc2ccc(OC)cc2)nnc1C(C)NC(=O)c1ccc(OC)cc1,0,0.0,
+C=CCn1c(SCCOc2ccc(OC)cc2)nnc1C(CO)NC(=O)c1ccc(OC)cc1,0,0.0,
+C=CCn1c(SCCOc2ccc(OC)cc2)nnc1C(NC(=O)c1ccc(OC)cc1)C(C)C,0,0.0,
+C=CCn1c(SCCOc2ccccc2)nnc1C(C)NC(=O)c1ccccc1,0,0.0,
+C=CCn1c(SCN2C(=O)c3ccccc3C2=O)nc2ccc(Cl)cc2c1=O,0,2.0,
+C=CCn1c(SCc2c(C(=O)OC)sc(N)c2C(=O)OC)nnc1-c1ccc(Br)cc1,0,9.0,
+C=CCn1c(SCc2c(C(=O)OC)sc(N)c2C(=O)OC)nnc1-c1ccc(Cl)cc1,0,8.0,
+C=CCn1c(SCc2c(C)noc2C)nc2cc(C(=O)O)ccc2c1=O,0,2.0,
+C=CCn1c(SCc2c(C)noc2C)nc2ccccc2c1=O,1,63.0,
+C=CCn1c(SCc2c(C)noc2C)nc2sc(C)c(C)c2c1=O,1,21.0,
+C=CCn1c(SCc2c(C)noc2C)nc2sc3c(c2c1=O)CCC(C)C3,0,3.0,
+C=CCn1c(SCc2c(C)noc2C)nc2sc3c(c2c1=O)CCCC3,0,6.0,
+C=CCn1c(SCc2c(C)noc2C)nc2sc3c(c2c1=O)CCCCC3,0,2.0,
+C=CCn1c(SCc2c(C)noc2C)nnc1C1COc2ccccc2O1,0,6.0,
+C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccnc1,0,6.0,
+C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nc(O)cc1=O,0,11.0,
+C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1,0,1.0,
+C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1-c1ccc(F)cc1,0,6.0,
+C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1-c1cccc(C)c1,0,6.0,
+C=CCn1c(SCc2cc(=O)n3ccsc3n2)nc2cc(Cl)ccc2c1=O,0,9.0,
+C=CCn1c(SCc2cc(=O)n3ccsc3n2)nc2ccccc2c1=O,0,1.0,
+C=CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CCCCC1,0,1.0,
+C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nnc1-c1ccncc1,0,5.0,
+C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nc2ccccc2c1=O,1,26.0,
+C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(C)cc1,0,4.0,
+C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(Cl)c1,0,0.0,
+C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(OC)c1,0,4.0,
+C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1,0,7.0,
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+C=CCn1c(SCc2ccc3c(c2)OCO3)nc2scc(-c3ccco3)c2c1=O,0,18.0,
+C=CCn1c(SCc2ccc3nonc3c2)nnc1-c1cccs1,0,9.0,
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+C=CCn1c(SCc2cccc(C)c2)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1,0,6.0,
+C=CCn1c(SCc2cccc(F)c2)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O,0,4.0,
+C=CCn1c(SCc2cccc3ccccc23)nnc1-c1cccnc1,0,0.0,
+C=CCn1c(SCc2ccccc2)nc(O)cc1=O,0,0.0,
+C=CCn1c(SCc2ccccc2)nc2scc(-c3ccc(C)o3)c2c1=O,0,0.0,
+C=CCn1c(SCc2ccccc2)nnc1-c1cccnc1,0,0.0,
+C=CCn1c(SCc2ccccc2C#N)nnc1-c1cc(Br)ccc1O,0,0.0,
+C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccccc1O,0,4.0,
+C=CCn1c(SCc2cccnc2)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1ccccc1OC,0,0.0,
+C=CCn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1-c1ccccc1OC,0,3.0,
+C=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCC(C)C3,0,4.0,
+C=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCCC3,0,1.0,
+C=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCCCC3,0,3.0,
+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-c1ccco1,0,2.0,
+C=CCn1c(SCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2CCC)nnc1-c1ccccc1,0,1.0,
+C=CCn1c(SCc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)nc2sc(CC)cc2c1=O,0,2.0,
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+C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(OC)cc1,0,0.0,
+C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccc(OC)c1,0,2.0,
+C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccn1,0,1.0,
+C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1,0,0.0,
+C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O,0,13.0,
+C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2cc(Cl)ccc2o1,0,6.0,
+C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccco1,0,0.0,
+C=CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1ccoc1C,0,8.0,
+C=CCn1c(SCc2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)nnc1-c1ccc(F)cc1,0,10.0,
+C=CCn1c(SCc2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)nnc1-c1ccccc1,0,0.0,
+C=CCn1c(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)nc2ccccc2c1=O,0,3.0,
+C=CCn1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nnc1-c1ccccc1F,0,4.0,
+C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1C(O)c1ccccc1,0,1.0,
+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)cc1,0,5.0,
+C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(F)cc1,0,9.0,
+C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1C1CCCCC1,0,0.0,
+C=CCn1c(Sc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])nnc1C1CCCCC1,0,0.0,
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+C=CCn1c(Sc2nnc(C)s2)nc2c1c(=O)[nH]c(=O)n2C,0,0.0,
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+C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)Nc3sc4c(c3C#N)CCCC4)nc21,0,0.0,
+C=CCn1c2ccccc2c2nnc(SCC(=O)NC(C(=O)OC)C(C)C)nc21,0,0.0,
+C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)nc21,0,0.0,
+C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3cc(C)on3)nc21,0,0.0,
+C=CCn1c2ccccc2c2nnc(SCC(=O)OCN3C(=O)c4ccccc4C3=O)nc21,0,10.0,
+C=CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21,0,2.0,
+C=CCn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc21,0,12.0,
+C=CCn1c2ccccc2c2nnc(SCc3[nH]c(=O)[nH]c3C(=O)CCCCC(=O)OCC)nc21,0,6.0,
+C=CCn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc21,0,1.0,
+C=CCn1c2ccccc2n2nc(C)c(=O)nc12,0,4.0,
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+C=CCn1cc(-c2cccc(C(F)(F)F)c2)cc(C#N)c1=O,0,1.0,
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+C=CCn1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21,0,1.0,
+C=CCn1cc(C(=O)N2CCN(C)CC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21,0,0.0,
+C=CCn1cc(C(=O)N2CCc3ccccc3C2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,0,1.0,
+C=CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21,0,12.0,
+C=CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,0,5.0,
+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)ccc21,0,2.0,
+C=CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,0,3.0,
+C=CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,0,5.0,
+C=CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,0,2.0,
+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)N(CC)CC)ccc21,0,4.0,
+C=CCn1cc(C(=O)OC)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,0,2.0,
+C=CCn1cc(C(=O)OC)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21,0,3.0,
+C=CCn1cc(C(=O)OCC)c(=O)c2ccc(F)cc21,0,2.0,
+C=CCn1cc(C(C)=O)c(=O)[nH]c1=O,0,3.0,
+C=CCn1cc(Cl)c(=O)n(CC=C)c1=O,0,8.0,
+C=CCn1cc(F)c(=O)n(CC=C)c1=O,0,8.0,
+C=CCn1cc([N+](=O)[O-])nc1C,0,0.0,
+C=CCn1ccc2c([N+](=O)[O-])cccc2c1=O,0,2.0,
+C=CCn1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1=S,0,2.0,
+C=CCn1cccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O,0,3.0,
+C=CCn1cccc(C(=O)Nc2cc(OC)cc(OC)c2)c1=O,0,1.0,
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+C=CCn1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1=O,0,0.0,
+C=CCn1cccc(C(=O)Nc2ccc(OC)cc2)c1=O,0,0.0,
+C=CCn1cccc(C(=O)Nc2ccc(OC)cc2OC)c1=O,0,0.0,
+C=CCn1cccc(C(=O)Nc2ccc(OCC)cc2)c1=O,0,5.0,
+C=CCn1cn[nH]c1=S,0,0.0,
+C=CCn1cnc2c(NCc3ccccc3)ncnc21,0,1.0,
+C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1,0,0.0,
+C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cc(OC)c(OC)c(OC)c1,0,0.0,
+C=CCn1cnc2c(nnn2-c2cc(C)cc(C)c2)c1=O,0,16.0,
+C=CCn1cnc2c(nnn2-c2ccc(C)c(C)c2)c1=O,0,1.0,
+C=CCn1cnc2c(nnn2-c2ccc(C)c(Cl)c2)c1=O,0,4.0,
+C=CCn1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O,0,3.0,
+C=CCn1cnc2c(nnn2-c2ccc(OC)c(OC)c2)c1=O,0,0.0,
+C=CCn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O,0,5.0,
+C=CCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O,0,0.0,
+C=CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O,0,0.0,
+C=CCn1cnc2scc(-c3ccc(CC)cc3)c2c1=O,0,0.0,
+C=CCn1cnc2scc(-c3ccccc3)c2c1=O,0,2.0,
+C=CCn1nc(-c2ccccc2)c(N2CCCCC2)cc1=O,0,0.0,
+C=CCn1nc(-c2ccccc2)c2c(C)onc2c1=O,0,0.0,
+C=CCn1nc([N+](=O)[O-])nc1Sc1cccc2cccnc12,0,0.0,
+C=CCn1ncc(OC)c(Cl)c1=O,0,4.0,
+C=CCn1nnc2sc3c(c2c1=O)CCC(C)C3,0,3.0,
+C=CCn1nnnc1-c1cc(Cl)cc(Cl)c1,0,5.0,
+C=CCn1nnnc1-c1cccc(Cl)c1,0,6.0,
+C=CCn1nnnc1SCC(=O)Nc1cccc(OC)c1,0,3.0,
+C=CCn1nnnc1SCC(=O)Nc1ccccc1C(=O)OC,0,1.0,
+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,0,0.0,
+C=COC(=O)CSc1snc(SCC(=O)OC)c1C#N,0,0.0,
+C=COCCNC(=O)C(=O)NC(C)C,0,0.0,
+C=COCCNC(=O)C(=O)NCC(C)C,0,3.0,
+C=COCCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,0,0.0,
+C=COCCNC(=O)Nc1ccc(Cl)c(Cl)c1,0,3.0,
+C=COCCNC(=O)Nc1ccc(Cl)cc1Cl,0,4.0,
+C=COCCNC(=S)N1CCOCCOCCN(C(=S)NCCOC=C)CCOCC1,0,6.0,
+C=COCCNC(=S)N1CCOCCOCCN(C(=S)NCCOC=C)CCOCCOCC1,0,5.0,
+C=COCCNC(=S)Nc1cccc(Cl)c1,0,0.0,
+C=COCCNC(=S)Nc1ccccc1,0,0.0,
+C=COCCn1c(-c2nonc2N)nc2ccccc21,0,10.0,
+C=COCCn1c(=N)n(CCC)c2ccccc21,0,0.0,
+C=COCCn1c(C)c(C(=O)OCC)c2cc(O)ccc21,0,0.0,
+C=COCCn1c(C)c(C(C)=O)c2cc(O)ccc21,0,0.0,
+C=CP(=O)(O)c1ccccc1,0,0.0,
+C=CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C=C)cc2)cc1,0,2.0,
+C=CS(=O)(=O)c1sc(Cl)c(N2CCOCC2)c1[N+](=O)[O-],0,2.0,
+C=C[S+]([O-])c1sc(Cl)c(N2CCOCC2)c1[N+](=O)[O-],0,0.0,
+C=CSc1sc(Cl)c(N(C)C)c1[N+](=O)[O-],0,9.0,
+C=CSc1sc(Cl)c(N(CC)CC)c1[N+](=O)[O-],0,0.0,
+C=CSc1sc(Cl)c(N2CCOCC2)c1[N+](=O)[O-],0,0.0,
+C=C[C@@H]1C[C@@]1(C)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,1,37.0,
+C=C[C@@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,0,3.0,
+C=C[C@]1(C)C[C@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,0,0.0,
+C=Cc1ccc(Cn2c(C(=O)O)c(C=O)c3ccccc32)cc1,0,6.0,
+C=Cc1ccc2c(c1)N(C)C(=C)S2,0,0.0,
+C=Cc1cccc(NC(=O)COc2ccccc2)c1,0,3.0,
+C=Cn1c(C(=O)O)cc(CC)c1-c1ccccc1,0,5.0,
+C=Cn1c(C(=O)O)ccc1-c1ccc(OC)cc1,0,2.0,
+C=Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,1.0,
+C=Cn1c(P(=S)(N2CCOCC2)N2CCOCC2)cc2c1CCCC2,0,3.0,
+C=Cn1cc[n+](CC(=O)C(C)(C)C)c1,0,8.0,
+C=Cn1cc[n+](CC(=O)c2ccc(C)cc2)c1,0,0.0,
+C=Cn1ccnc1P(=S)(c1c(C)nn(-c2ccccc2)c1C)c1nccn1C=C,0,0.0,
+C=Cn1ccnc1P(=S)(c1cc(N(CC)CC)ns1)c1nccn1C=C,0,1.0,
+C=Cn1ccnc1P(=S)(c1ccc(Cl)cc1)c1nccn1C=C,0,5.0,
+C=Cn1ccnc1P(=S)(c1ccc(N(C)C)cc1)c1nccn1C=C,0,0.0,
+C=Cn1ccnc1P(=S)(c1ccc2c(c1)c1ccccc1n2CC)c1nccn1C=C,0,8.0,
+C=Cn1ccnc1P(=S)(c1ccccc1)c1nccn1C=C,0,0.0,
+C=Cn1ccnc1P(=S)(c1ccn(C)c1)c1nccn1C=C,0,1.0,
+C=Cn1ccnc1P(=S)(c1nccn1C=C)C1CCCCC1,0,2.0,
+C=Cn1ccnc1P(=S)(c1nccn1C=C)c1nccn1C=C,0,1.0,
+C=Cn1ccnc1P(O)(=S)c1nc(C)c(CCOC(C)=O)s1,0,0.0,
+C=Cn1nc(C)c2ccccc2c1=O,0,9.0,
+CC#CC(=O)N1CCC(CCc2ccccc2)(C(=O)OCC)CC1,0,0.0,
+CC#CC(=O)N1CCC(CO)(CCc2ccccc2)CC1,0,2.0,
+CC#CCC(CC#CC)c1nc2ccccc2c(=O)n1N,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)cc1,0,2.0,
+CC#CCCCC(=O)Nc1cccc(C(=O)O)c1,0,0.0,
+CC#CCCCC(=O)Nc1ccccc1C(=O)O,0,5.0,
+CC#CCCc1nc2ccccc2c(=O)n1N,0,0.0,
+CC#CCN(CC#CC)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1,1,20.0,0.0
+CC#CCN(CC#CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0.0,
+CC#CCNCc1ccccc1,0,0.0,
+CC#CC[N+](C)(C)CCCCCCCCCCCC,0,13.0,
+CC#CC[N+](C)(CC#CC)CC(=O)c1ccccc1,0,6.0,
+CC#CP(=O)(OC)C(O)(CF)c1ccccc1,0,0.0,
+CC#CP(=O)(OCC)C(O)(c1ccccc1)C(F)(F)F,0,0.0,
+CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,0,0.0,
+CC(/C(O)=C(\C#N)c1nc2ccccc2n1C)N1C(=O)c2ccccc2C1=O,0,5.0,
+CC(/C=C(\C)Nc1ccccc1)=Nc1ccccc1.[O-][Cl+3]([O-])([O-])O,0,3.0,
+CC(/C=C(\NC(=O)c1ccccc1)C(=O)N=Nc1c(O)[nH]c2ccc(C)cc12)=C\c1ccccc1,0,6.0,
+CC(/C=C/C(=O)c1ccc(C)cc1)=C\c1ccccc1,0,3.0,
+CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,0,0.0,
+CC(/C=C/C=C/c1ccccc1)=N/NC(=O)CNc1ccc(C)cc1,0,0.0,
+CC(/C=C/C=C/c1ccccc1)=N/NC(=O)CNc1ccccc1C,0,4.0,
+CC(/C=C/C=C/c1ccccc1)=N\NC(=O)c1cccnc1,0,0.0,
+CC(/C=C/c1ccc(C)o1)=C\C(=O)O,1,22.0,0.0
+CC(/C=C/c1ccc(Cl)o1)=C\C(=O)O,0,4.0,
+CC(/C=C/c1ccc(N(C)C)cc1)=N/N=C1/NC(=O)CC(C(=O)Nc2ccc(Cl)cc2)S1,0,0.0,
+CC(/C=C/c1ccc(N(C)C)cc1)=N\N=C(/N)SC1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O,0,0.0,
+CC(/C=C/c1ccc(N(C)C)cc1)=N\N=C1\NC(=O)CC(C(=O)Nc2ccccc2)S1,0,0.0,
+CC(/C=C/c1ccc(O)cc1)=N/O,0,0.0,
+CC(/C=C/c1ccc(OCc2ccccc2)cc1)=N\O,0,0.0,
+CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)C1COc2ccccc2O1,0,11.0,
+CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)CNc1ccc(C)cc1,0,0.0,
+CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)COc1ccc(C)cc1,0,0.0,
+CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)c1ccc(C)nc1,0,5.0,
+CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)c1cccnc1,0,2.0,
+CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)COc1ccccc1C,0,0.0,
+CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1cccc([N+](=O)[O-])c1,0,3.0,
+CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1ccccc1,1,23.0,0.0
+CC(/C=C/c1cccc([N+](=O)[O-])c1)=N/NC(=O)c1cccnc1,0,0.0,
+CC(/C=C/c1cccc([N+](=O)[O-])c1)=N\NC(=O)c1ccncc1,0,5.0,
+CC(/C=C/c1ccccc1)=N/NC(=O)C(O)c1ccccc1,0,2.0,
+CC(/C=C/c1ccccc1)=N/NC(=O)CCC(=O)Nc1ccccc1C,0,5.0,
+CC(/C=C/c1ccccc1)=N/NC(=O)CNC(=O)c1ccc2c(c1)OCO2,0,3.0,
+CC(/C=C/c1ccccc1)=N/NC(=O)CNC(=O)c1ccccc1F,0,2.0,
+CC(/C=C/c1ccccc1)=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,0,5.0,
+CC(/C=C/c1ccccc1)=N/NC(=O)c1cccc(Br)c1,0,0.0,
+CC(/C=C/c1ccccc1)=N/NC(=O)c1cnccn1,0,0.0,
+CC(/C=C/c1ccccc1)=N/NC(=O)c1nc2nc(C)cc(C)n2n1,0,0.0,
+CC(/C=C/c1ccccc1)=N/O,0,0.0,
+CC(/C=C/c1ccccc1)=N\NC(=O)C1CC1(C)c1ccccc1,0,0.0,
+CC(/C=C/c1ccccc1)=N\NC(=O)CCc1ccccc1,0,0.0,
+CC(/C=C/c1ccccc1)=N\NC(=O)CNC(=O)c1ccccc1Cl,0,2.0,
+CC(/C=C/c1ccccc1)=N\NC(=O)CSc1ccccn1,0,0.0,
+CC(/C=C/c1ccccc1)=N\NC(=O)Cn1nc(C)cc1C,0,0.0,
+CC(/C=C/c1ccccc1)=N\NC(=O)c1cc(C)[nH]n1,0,1.0,
+CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(Br)cc1,0,1.0,
+CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc2c(c1)OCCO2,0,7.0,
+CC(/C=C/c1ccccc1)=N\NC(=O)c1ccncc1,0,0.0,
+CC(/C=C/c1ccccc1)=N\NC(=S)NC(C)C,0,7.0,
+CC(/C=C/c1ccccc1)=N\NC(N)=S,0,2.0,
+CC(/C=C/c1ccccc1)=N\Nc1ccccc1[N+](=O)[O-],0,1.0,
+CC(/C=C/c1ccccc1)=N\Nc1nc(-c2ccccc2)cs1,0,8.0,
+CC(/C=C/c1ccccc1)=N\Nc1nc(C)cc(C)n1,0,2.0,
+CC(/C=C/c1ccccc1)NC(N)=O,0,8.0,
+CC(/C=C/c1ccccc1F)=N\NC(=O)C(C)C,0,1.0,
+CC(/C=C/c1ccccc1F)=N\NC(=O)c1ccc(Cl)cc1,0,10.0,
+CC(/C=C/c1ccccc1F)=N\NC(=O)c1cccc(F)c1,0,6.0,
+CC(/C=C/c1ccccc1F)=N\NC(=O)c1ccccc1,0,0.0,
+CC(/C=C/c1ccco1)=N/NC(=O)CNc1ccccc1C,0,0.0,
+CC(/C=C/c1ccco1)=N/NC(=O)Cc1cccs1,0,0.0,
+CC(/C=C/c1ccco1)=N/NC(=O)OC(C)(C)C,0,0.0,
+CC(/C=C/c1ccco1)=N/NC(=O)c1ccccc1Cl,0,0.0,
+CC(/C=C/c1ccco1)=N\NC(=O)C(O)c1ccccc1,0,0.0,
+CC(/C=C/c1ccco1)=N\NC(=O)CNc1ccc2ccccc2c1,0,2.0,
+CC(/C=C/c1ccco1)=N\NC(=O)CNc1cccc(C)c1,0,0.0,
+CC(/C=C/c1ccco1)=N\NC(=O)COc1ccc(C)c(C)c1,0,1.0,
+CC(/C=C/c1ccco1)=N\NC(=O)c1cc(C)[nH]n1,0,2.0,
+CC(/C=C/c1ccco1)=N\NC(=O)c1cc(Cl)ccc1O,0,3.0,
+CC(/C=C/c1ccco1)=N\NC(=O)c1cccc(Cl)c1,0,0.0,
+CC(/C=C/c1ccco1)=N\NC(=O)c1cccnc1,0,5.0,
+CC(/C=C/c1cccs1)=C\C(=O)O,0,12.0,
+CC(/C=C1\N=C(SCc2ccccc2)SC1=O)=C\c1ccccc1,0,0.0,
+CC(/C=C1\N=C(SCc2ccccc2Cl)SC1=O)=C\c1ccccc1,0,1.0,
+CC(/C=C1\SC(=O)N(CC(=O)Nc2ccc(O)cc2)C1=O)=C\c1ccccc1,0,0.0,
+CC(/C=C1\SC(=O)N(CC(=O)Nc2cccc(O)c2)C1=O)=C\c1ccccc1,0,10.0,
+CC(/C=C1\SC(=O)N(CCCC(=O)O)C1=O)=C\c1ccccc1,0,4.0,
+CC(/C=C1\SC(=S)N(C(C(=O)O)C(C)C)C1=O)=C\c1ccccc1,0,3.0,
+CC(/C=C1\SC(=S)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O)=C\c1ccccc1,0,6.0,
+CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1,0,4.0,
+CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O)=C\c1ccccc1,0,0.0,
+CC(/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1,0,13.0,
+CC(/C=C1\SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O)=C\c1ccccc1,0,5.0,
+CC(/C=C1\SC(=S)N(NC(=O)c2cccc(O)c2)C1=O)=C\c1ccccc1,0,2.0,
+CC(/C=C1\SC(=S)N(NC(=O)c2ccccc2C)C1=O)=C\c1ccccc1,0,13.0,
+CC(/C=C\C=C\c1ccccc1)=N\NC(=O)c1cncc(Br)c1,0,2.0,
+CC(/C=C\c1cccnc1)=C/C(=O)O,0,1.5,
+CC(/C=N/N1C(=O)CSC1=S)=C\c1ccccc1,0,5.0,
+CC(/C=N/N1CCN(Cc2ccccc2)CC1)=C\c1ccccc1,0,12.0,
+CC(/C=N/N1CCN(c2ccc(C)cc2)CC1)=C\c1ccccc1,0,0.0,
+CC(/C=N/N1CCN(c2ccccc2)CC1)=C\c1ccccc1,0,0.0,
+CC(/C=N/N1CCN(c2ccccc2)CC1)=C\c1ccco1,0,6.0,
+CC(/C=N/N1CCN(c2ccccn2)CC1)=C\c1ccccc1,0,4.0,
+CC(/C=N/NC(=O)C(O)c1ccccc1)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)CCn1nnc2ccccc21)=C\c1ccccc1,0,9.0,
+CC(/C=N/NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)=C\c1ccco1,0,2.0,
+CC(/C=N/NC(=O)CSc1ccccn1)=C\c1ccc(C(C)C)cc1,0,1.0,
+CC(/C=N/NC(=O)CSc1nc(C)cc(C)n1)=C\c1ccccc1,0,2.0,
+CC(/C=N/NC(=O)CSc1nc2ccccc2n1C)=C\c1ccco1,0,0.0,
+CC(/C=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)=C\c1ccco1,0,17.0,
+CC(/C=N/NC(=O)Cc1cc(=O)[nH][nH]1)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)Cc1cccn1C)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)Cc1cccn1C)=C\c1ccco1,0,1.0,
+CC(/C=N/NC(=O)Cc1cccs1)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)Cc1cccs1)=C\c1ccco1,0,0.0,
+CC(/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)Cn1cnc2ccccc21)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)Cn1nccc1C)=C\c1ccc(C(C)C)cc1,0,0.0,
+CC(/C=N/NC(=O)NC1CCCCC1)=C\c1ccccc1,0,13.0,
+CC(/C=N/NC(=O)c1c(Br)cnn1C)=C\c1ccccc1,0,4.0,
+CC(/C=N/NC(=O)c1cc(-c2ccc(C)o2)[nH]n1)=C\c1ccccc1,0,2.0,
+CC(/C=N/NC(=O)c1cc(-c2ccc(C)s2)[nH]n1)=C\c1ccccc1,0,8.0,
+CC(/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)=C\c1ccco1,0,4.0,
+CC(/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)=C\c1ccco1,0,2.0,
+CC(/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)=C\c1ccco1,0,0.0,
+CC(/C=N/NC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1)=C\c1ccccc1,0,3.0,
+CC(/C=N/NC(=O)c1cc(-c2cccs2)[nH]n1)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)=C\c1ccco1,0,9.0,
+CC(/C=N/NC(=O)c1cc(C(C)(C)C)[nH]n1)=C\c1ccccc1,0,4.0,
+CC(/C=N/NC(=O)c1cc(C(C)C)[nH]n1)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)c1ccc(Br)cc1)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccccc1,0,2.0,
+CC(/C=N/NC(=O)c1ccc2nc(C)[nH]c2c1)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)c1cccc([N+](=O)[O-])c1)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)c1cccnc1)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)c1cccnc1)=C\c1ccco1,0,0.0,
+CC(/C=N/NC(=O)c1ccco1)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)c1cccs1)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)c1cccs1)=C\c1ccco1,0,1.0,
+CC(/C=N/NC(=O)c1ccncc1)=C\c1ccc(C(C)C)cc1,0,3.0,
+CC(/C=N/NC(=O)c1ccncc1)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)c1ccncc1)=C\c1ccco1,0,0.0,
+CC(/C=N/NC(=O)c1n[nH]c2c1CCC2)=C\c1ccccc1,1,21.0,0.0
+CC(/C=N/NC(=O)c1nn(C)c(C)c1Br)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=O)c1sc(N)nc1C)=C\c1ccccc1,0,0.0,
+CC(/C=N/NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1,0,0.0,
+CC(/C=N/Nc1nc(C)cc(=O)[nH]1)=C\c1ccccc1,0,3.0,
+CC(/C=N/Nc1nc(C)cc(C)n1)=C\c1ccc(C(C)C)cc1,0,4.0,
+CC(/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)=C\c1ccccc1,0,1.0,
+CC(/C=N/Nc1nc2ccccc2[nH]1)=C\c1ccccc1,0,12.0,
+CC(/C=N/Nc1ncc(C)c(=O)[nH]1)=C\c1ccccc1,0,15.0,
+CC(/C=N/Nc1nnc(C)c(=O)[nH]1)=C\c1ccccc1,0,0.0,
+CC(/C=N/Nc1nnc2c(n1)[nH]c1ccccc12)=C\c1ccco1,0,14.0,
+CC(/C=N/Nc1nncc(=O)[nH]1)=C\c1ccccc1,0,0.0,
+CC(/C=N/O)Cc1ccc2c(c1)OCO2,0,0.0,
+CC(/C=N/n1c(-c2cc(C)[nH]n2)n[nH]c1=S)=C\c1ccccc1,0,0.0,
+CC(/C=N/n1c(-c2ccc(C)cc2)n[nH]c1=S)=C\c1ccco1,0,0.0,
+CC(/C=N/n1c(-c2ccc(Cl)cc2)n[nH]c1=S)=C\c1ccco1,0,3.0,
+CC(/C=N/n1c(-c2ccccc2)n[nH]c1=S)=C\c1ccco1,0,0.0,
+CC(/C=N/n1c(-c2cccnc2)n[nH]c1=S)=C\c1ccccc1,0,0.0,
+CC(/C=N/n1c(-c2ccco2)n[nH]c1=S)=C\c1ccccc1,0,1.0,
+CC(/C=N/n1c(-c2ccco2)n[nH]c1=S)=C\c1ccco1,0,0.0,
+CC(/C=N/n1c(C2CCCCC2)n[nH]c1=S)=C\c1ccccc1,0,4.0,
+CC(/C=N/n1c(COc2ccccc2)n[nH]c1=S)=C\c1ccccc1,1,30.0,0.0
+CC(/C=N/n1cnnc1)=C\c1ccccc1,0,6.0,
+CC(/C=N/n1cnnc1)=C\c1ccco1,0,0.0,
+CC(/C=N\N1CCN(Cc2ccc(C)cc2)CC1)=C\c1ccccc1,0,1.0,
+CC(/C=N\N1CCN(c2ccc(Cl)cc2)CC1)=C\c1ccccc1,0,0.0,
+CC(/C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)=C\c1ccco1,0,3.0,
+CC(/C=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)=C\c1ccccc1,0,0.0,
+CC(/C=N\NC(=O)Cn1c(C)nc2ccccc21)=C\c1ccccc1,0,0.0,
+CC(/C=N\NC(=O)c1cc(C)oc1C)=C\c1ccccc1,0,0.0,
+CC(/C=N\NC(=O)c1ccc(C)nc1)=C\c1ccccc1,0,0.0,
+CC(/C=N\NC(=O)c1cccnc1)c1ccccc1,0,3.0,
+CC(/C=N\Nc1nnc2c(n1)[nH]c1c(C)cccc12)=C\c1ccco1,0,0.0,
+CC(=C/C(=O)O)/C(=C/c1ccccc1)C(=O)O,0,0.0,
+CC(=C/C(=O)O)/C=C/c1ccc(Cl)o1,0,7.0,
+CC(=C/C(=O)O)/C=C/c1ccc([N+](=O)[O-])cc1,0,0.0,
+CC(=C/C(=O)O)/C=C/c1ccco1,0,0.0,
+CC(=C/C(=O)O)/C=C/c1cccs1,0,5.0,
+CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CSc1ccccn1,0,3.0,
+CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)Cn1nc(C)cc1C,0,1.0,
+CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)c1ccncc1,0,2.0,
+CC(=C/c1ccccc1)/C=C1/SC(N2CCOCC2)=NC1=O,0,0.0,
+CC(=C/c1ccccc1)/C=N/NC(=O)CSc1nc(C)cc(C)n1,0,14.0,
+CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(C)oc1C,0,0.0,
+CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc2nc[nH]c2c1,0,0.0,
+CC(=C/c1ccccc1)/C=N/NC(=O)c1cnccn1,0,2.0,
+CC(=C/c1ccccc1)/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1,0,12.0,
+CC(=C/c1ccccc1)/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0.0,
+CC(=C/c1ccccc1)/C=N/n1c(-c2ccco2)n[nH]c1=S,0,0.0,
+CC(=C/c1ccccc1)/C=N/n1c(-c2ccncc2)n[nH]c1=S,0,3.0,
+CC(=C/c1ccccc1)/C=N/n1cnnc1,0,2.0,
+CC(=C/c1ccco1)/C=N/N1CCN(c2ccccc2)CC1,0,0.0,
+CC(=C/c1ccco1)/C=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1,0,5.0,
+CC(=C/c1ccco1)/C=N/NC(=O)Cc1cccn1C,0,0.0,
+CC(=C/c1ccco1)/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)C,0,0.0,
+CC(=C1C(=O)c2ccccc2C1=O)N1CCC(C(N)=O)(N2CCCCC2)CC1,0,0.0,
+CC(=C1C(=O)c2ccccc2C1=O)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+CC(=C1C(=O)c2ccccc2C1=O)N1CCN(CCN=CC2=C(O)CC(C)(C)CC2=O)CC1,0,0.0,
+CC(=C1C(=O)c2ccccc2C1=O)N1CCN(CCN=Cc2c(O)n(C)c(=O)n(C)c2=O)CC1,0,1.0,
+CC(=C1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccccc2)CC1,0,0.0,
+CC(=C1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1,0,5.0,
+CC(=C1C(=O)c2ccccc2C1=O)N1CCc2ccccc2C1,0,6.0,
+CC(=C1C2C=CC1C1C(=O)NC(=O)C21)c1ccccc1,0,10.0,
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+CC(=O)C1=NN(c2ccccc2)C(c2ccc3c(c2)OCO3)N1c1ccccc1,0,6.0,
+CC(=O)C1=NN(c2ccccc2)C(c2cccs2)N1c1ccc(N(C)C)cc1,0,0.0,
+CC(=O)C1=NN(c2ccccc2)C(c2cccs2)N1c1ccccc1,0,2.0,
+CC(=O)C1=NN(c2ccccc2)C2(S1)S/C(=C\c1ccccc1)C(=O)N2c1ccccc1,0,12.0,
+CC(=O)C1=NOC(CNC(=O)c2c(-c3ccccc3Cl)noc2C)C1,0,0.0,
+CC(=O)C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1,0,0.0,
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+CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)C1CCCCC1,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1,0,2.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(F)c1,0,2.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl,0,2.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)COc1ccc(Cl)cc1Cl,0,5.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)COc1ccc2c(c1)CCC2,0,9.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)Cc1c(Cl)cccc1Cl,0,4.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl,0,3.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12,0,5.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21,0,2.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)Cn1cnc2ccccc2c1=O,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1c(F)cccc1Cl,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12,0,1.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1cc[n+]([O-])cc1,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1,0,4.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(OC(F)F)cc1,0,1.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc(F)c1,0,8.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc(OC(F)F)c1,0,9.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1,0,5.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccco1,0,2.0,
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1,0,5.0,
+CC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br,0,0.0,
+CC(C)(C)NC(=O)NC(=O)COc1ccccc1C#N,0,5.0,
+CC(C)(C)NC(=O)NC(=O)COc1ccccn1,0,3.0,
+CC(C)(C)NC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1,0,0.0,
+CC(C)(C)NC(=O)NC(=O)CSc1n[nH]c(-c2ccccc2Br)n1,0,0.0,
+CC(C)(C)NC(=O)NC(=O)CSc1ncc(C(F)(F)F)cc1Cl,0,3.0,
+CC(C)(C)NC(=O)NC(=O)CSc1ncccn1,0,3.0,
+CC(C)(C)NC(=O)NC(=O)CSc1ncn[nH]1,0,3.0,
+CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1N,0,3.0,
+CC(C)(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)o1,0,8.0,
+CC(C)(C)NC(=O)NC(=O)CSc1nnc2ccccn12,0,0.0,
+CC(C)(C)NC(=O)NC(=O)CSc1nncs1,0,1.0,
+CC(C)(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O,0,3.0,
+CC(C)(C)NC(=O)NC(=O)Cn1ccsc1=N,0,1.0,
+CC(C)(C)NC(=O)NC12CC3CC(CC(C3)C1)C2,0,4.0,
+CC(C)(C)NC(=O)Nc1ccc(Br)cc1,0,3.0,
+CC(C)(C)NC(=O)Nc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1,0,0.0,
+CC(C)(C)NC(=O)Nc1ccc(F)c(Cl)c1,0,5.0,
+CC(C)(C)NC(=O)Nc1ccc2nccnc2c1,0,5.0,
+CC(C)(C)NC(=O)Nc1cccc(Cl)c1Cl,0,0.0,
+CC(C)(C)NC(=O)Nc1ccccc1C(N)=O,0,0.0,
+CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,0,0.0,
+CC(C)(C)NC(=O)c1c(F)c(F)c(F)c(F)c1F,0,0.0,
+CC(C)(C)NC(=O)c1cc(-c2ccccc2)n[nH]1,0,0.0,
+CC(C)(C)NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0,1.0,
+CC(C)(C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-],0,0.0,
+CC(C)(C)NC(=O)c1cc(F)c(F)cc1Cl,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)c1cc([N+](=O)[O-])ccc1N1CCCCC1,0,8.0,
+CC(C)(C)NC(=O)c1ccc(COCC(F)(F)F)o1,0,0.0,
+CC(C)(C)NC(=O)c1ccc(COc2ccccc2Br)o1,0,2.0,
+CC(C)(C)NC(=O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1,0,8.0,
+CC(C)(C)NC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1,0,1.0,
+CC(C)(C)NC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1,0,0.0,
+CC(C)(C)NC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1,0,2.0,
+CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,0,3.0,
+CC(C)(C)NC(=O)c1ccc2c(c1)C1C3CCC(C3)C1C(c1ccccc1)N2,0,4.0,
+CC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccc(F)cc3)CC1)C(=O)C(C)(C)O2,0,2.0,
+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)c1ccc2c3c(cccc13)CC2,0,2.0,
+CC(C)(C)NC(=O)c1ccc2nccnc2c1,0,0.0,
+CC(C)(C)NC(=O)c1ccc2nsnc2c1,0,1.0,
+CC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1,0,6.0,
+CC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccccc2)c1,0,0.0,
+CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1,0,2.0,
+CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cccs2)c1,0,7.0,
+CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1,0,0.0,
+CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccc(O)c2)c1,0,0.0,
+CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccco2)c1,0,0.0,
+CC(C)(C)NC(=O)c1cccc2c1OC(C)(C)C2,0,4.0,
+CC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1,0,4.0,
+CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCCO1,0,0.0,
+CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCO2,0,6.0,
+CC(C)(C)NC(=O)c1cccnc1Sc1ccccc1,0,1.0,
+CC(C)(C)NC(=O)c1ccnc(C(C)(C)C)c1,0,0.0,
+CC(C)(C)NC(=O)c1ccncc1,0,7.0,
+CC(C)(C)NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1,0,0.0,
+CC(C)(C)NC(=O)c1cnn2c1NC(c1ccc(F)cc1)CC2C(F)(F)F,0,0.0,
+CC(C)(C)NC(=O)c1nc2ccccc2s1,0,1.0,
+CC(C)(C)NC(=O)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1,0,0.0,
+CC(C)(C)NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12,0,6.0,
+CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1,1,28.0,1.0
+CC(C)(C)NC(=O)c1sccc1C(=O)O,0,0.0,
+CC(C)(C)NC(=S)/N=C(\N)N[N+](=O)[O-],0,0.0,
+CC(C)(C)NC(=S)N1CCn2cccc2C1c1cccnc1,0,0.0,
+CC(C)(C)NC(=S)NC(=O)C12CC3CCC(CC(C3)C1)C2,0,3.0,
+CC(C)(C)NC(=S)NC(=O)C12CCC3CC(CC(C3)C1)C2,0,12.0,
+CC(C)(C)NC(=S)NCCc1ccccc1,0,6.0,
+CC(C)(C)NC(=S)NCc1ccc2c(c1)OCO2,0,0.0,
+CC(C)(C)NC(=S)NCc1cccnc1,0,3.0,
+CC(C)(C)NC(=S)NCc1ccco1,0,0.0,
+CC(C)(C)NC(=S)NCc1ccncc1,0,4.0,
+CC(C)(C)NC(=S)NNC(=O)c1ccc2ncccc2c1,0,0.0,
+CC(C)(C)NC(=S)NNC(=O)c1cccc(Br)c1,0,0.0,
+CC(C)(C)NC(=S)NNC(=O)c1ccccc1Cl,0,6.0,
+CC(C)(C)NC(=S)NNC(=O)c1ccncc1,0,3.0,
+CC(C)(C)NC(=S)Nc1ccc(Br)cc1,0,0.0,
+CC(C)(C)NC(=S)Nc1ccc(Nc2ccccc2)cc1,0,0.0,
+CC(C)(C)NC(=S)Nc1cccc(C(F)(F)F)c1,0,0.0,
+CC(C)(C)NC(NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl,0,0.0,
+CC(C)(C)NC1=CC(=O)OC12CCCCC2,0,0.0,
+CC(C)(C)NCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1,1,25.0,1.0
+CC(C)(C)NCC(=O)c1c[nH]c2ccccc12,0,1.0,
+CC(C)(C)NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,0,11.0,
+CC(C)(C)NCC(O)COCc1ccc(Cl)cc1,0,0.0,
+CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc21,0,0.0,
+CC(C)(C)NCC(O)COc1c(F)cc(Br)cc1F,0,0.0,
+CC(C)(C)NCC(O)COc1ccc(Br)cc1,0,0.0,
+CC(C)(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2,0,0.0,
+CC(C)(C)NCC(O)COc1ccccc1C(=O)CCc1ccccc1,0,0.0,
+CC(C)(C)NCC(O)COc1ccccc1C(C)(C)C,0,0.0,
+CC(C)(C)NCC(O)Cn1cc(C=O)c2ccccc21,0,0.0,
+CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,0,0.0,
+CC(C)(C)NCC(O)c1cc(O)cc(O)c1,0,0.0,
+CC(C)(C)NCC1(CO)SC(N)=NC1=O,0,16.0,
+CC(C)(C)NCCCCOc1ccc(F)cc1,0,3.0,
+CC(C)(C)NCCCCOc1ccccc1F,0,0.0,
+CC(C)(C)NCCCOc1ccc(Cl)cc1C(C)(C)C,0,9.0,
+CC(C)(C)NCCOCCOc1ccc(Cl)cc1C(C)(C)C,0,4.0,
+CC(C)(C)NCCOCCOc1ccccc1-c1ccccc1,0,2.0,
+CC(C)(C)NCCOc1ccc(Br)cc1,0,2.0,
+CC(C)(C)NCCOc1ccc2ccccc2c1,0,8.0,
+CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1,0,0.0,
+CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1,1,37.0,1.0
+CC(C)(C)NCc1cc(Br)ccc1OCc1cccs1,0,16.0,
+CC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1F,1,24.0,0.0
+CC(C)(C)NCc1cc(Cl)ccc1OCc1cccs1,0,8.0,
+CC(C)(C)NCc1cc2ccccc2[nH]c1=O,0,0.0,
+CC(C)(C)NCc1ccc(OCc2cccs2)cc1,0,4.0,
+CC(C)(C)NCc1ccccc1OCc1cccs1,0,7.0,
+CC(C)(C)NCc1cccn1-c1sc2c(c1C#N)CCCC2,0,0.0,
+CC(C)(C)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,0,7.0,
+CC(C)(C)NS(=O)(=O)CC12CCC(CC1=O)C2(C)C,0,0.0,
+CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2sccc2C#N)ccc1Cl,0,2.0,
+CC(C)(C)NS(=O)(=O)c1cc(C(=O)O)ccc1Cl,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(-c2csnn2)s1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1,0,2.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1,0,3.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1,0,5.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1,0,2.0,
+CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)O)cc1,0,5.0,
+CC(C)(C)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1,0,2.0,
+CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1,0,1.0,
+CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,0,5.0,
+CC(C)(C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1,0,2.0,
+CC(C)(C)NS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc12,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc2nc(NC(=O)Cc3cccs3)sc2c1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1,0,0.0,
+CC(C)(C)NS(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1,0,3.0,
+CC(C)(C)NS(=O)(=O)c1cccc2nsnc12,0,0.0,
+CC(C)(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1,0,0.0,
+CC(C)(C)Nc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12,0,3.0,
+CC(C)(C)Nc1c(-c2cccs2)nc2ccccn12,0,6.0,
+CC(C)(C)Nc1c(N)c(=O)oc2ccccc12,0,4.0,
+CC(C)(C)Nc1c([N+](=O)[O-])c(=O)sc2ccccc12,0,3.0,
+CC(C)(C)Nc1cccccc1=O,0,2.0,
+CC(C)(C)Nc1nc(C(N)=O)nc(N2CCOCC2)n1,0,2.0,
+CC(C)(C)Nc1nc(Cl)nc(N(C#N)CN2C(=O)c3ccccc3S2(=O)=O)n1,0,0.0,
+CC(C)(C)Nc1nc(Cl)nc(NC(C)(C)C)n1,0,3.0,
+CC(C)(C)Nc1nc(N)nc(Cl)n1,0,0.0,
+CC(C)(C)Nc1nc(N2CCCC2)nc(N2CCCC2)n1,0,18.0,
+CC(C)(C)Nc1nc(NC(C)(C)C)nc(-n2ccnc2)n1,0,0.0,
+CC(C)(C)Nc1nc(NCc2cccnc2)nc(N2CCOCC2)n1,0,3.0,
+CC(C)(C)Nc1nc(NN)nc(NC(C)(C)C)n1,0,3.0,
+CC(C)(C)Nc1nc(OCC#N)nc(N2CCCCC2)n1,0,0.0,
+CC(C)(C)Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0,5.0,
+CC(C)(C)Nc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1,0,0.0,
+CC(C)(C)Nc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1,0,0.0,
+CC(C)(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1,0,1.0,
+CC(C)(C)Nc1nc(SCc2ccccc2)nc(N2CCOCC2)n1,0,2.0,
+CC(C)(C)Nc1nc2nonc2nc1NC(C)(C)C,0,7.0,
+CC(C)(C)Nc1scc(-c2ccccc2)[n+]1-c1ccccc1,0,5.0,
+CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1ccc(Cl)nn1,0,1.0,
+CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)O)c1csc(N)n1,0,3.0,
+CC(C)(C)OC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1,0,0.0,
+CC(C)(C)OC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)CNC(=O)OCc1ccccc1,0,0.0,
+CC(C)(C)OC(=O)C(Cl)(C(=O)OC(C)(C)C)c1ccc2nnnn2n1,0,2.0,
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+CC(C)(C)SCCNC(=O)/C=C/c1ccc(F)cc1,0,4.0,
+CC(C)(C)SCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1,0,0.0,
+CC(C)(C)SCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1,0,0.0,
+CC(C)(C)SCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O,0,2.0,
+CC(C)(C)SCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1,0,2.0,
+CC(C)(C)SCCNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O,0,1.0,
+CC(C)(C)SCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1,0,7.0,
+CC(C)(C)SCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1,0,9.0,
+CC(C)(C)SCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O,0,0.0,
+CC(C)(C)SCCNC(=O)COc1ccc(Cl)cc1,0,6.0,
+CC(C)(C)SCCNC(=O)COc1ccccc1,0,1.0,
+CC(C)(C)SCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1,0,6.0,
+CC(C)(C)SCCNC(=O)CSc1ccccc1,0,3.0,
+CC(C)(C)SCCNC(=O)Nc1ccccc1,0,0.0,
+CC(C)(C)SCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
+CC(C)(C)SCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1,0,0.0,
+CC(C)(C)SCCNC(=O)c1ccc(NS(C)(=O)=O)cc1,0,1.0,
+CC(C)(C)SCCNC(=O)c1cccc([N+](=O)[O-])c1,0,0.0,
+CC(C)(C)SCCNC(=O)c1ccccc1,0,15.0,
+CC(C)(C)SCCNS(=O)(=O)c1ccc(Cl)cc1,0,6.0,
+CC(C)(C)SCCNS(=O)(=O)c1ccc(F)cc1,0,1.0,
+CC(C)(C)SCCNS(=O)(=O)c1ccc2ccccc2c1,0,9.0,
+CC(C)(C)SCCNS(=O)(=O)c1ccccc1,0,0.0,
+CC(C)(C)Sc1ccc(/C=N/O)cc1[N+](=O)[O-],0,0.0,
+CC(C)(C)Sc1ccc(N)nc1,0,0.0,
+CC(C)(C)Sc1ccc2nc3c(n2c1)CCCC3,0,0.0,
+CC(C)(C)Sc1nc(O)cc(=O)[nH]1,0,0.0,
+CC(C)(C)[C@@H]1C=C(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@H](OCc2ccc(CO)cc2)C1,0,2.0,
+CC(C)(C)[C@@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@H](OCCCCO)C1,0,0.0,
+CC(C)(C)[C@@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@H](OCc2ccc(CO)cc2)C1,0,3.0,
+CC(C)(C)[C@@H]1C=C(C(=O)N2CCOCC2)O[C@H](OCc2ccc(CO)cc2)C1,0,0.0,
+CC(C)(C)[C@@H]1C=C(C(=O)NC2CC2)O[C@H](OCc2ccc(CO)cc2)C1,0,0.0,
+CC(C)(C)[C@@H]1C=C(C(=O)NCc2ccccc2)O[C@H](OCc2ccc(CO)cc2)C1,0,3.0,
+CC(C)(C)[C@@H]1C=C(C(=O)Nc2ccccc2)O[C@H](OCc2ccc(CO)cc2)C1,0,4.0,
+CC(C)(C)[C@@H]1C=C(C(=O)O)O[C@H](OCc2ccc(CO)cc2)C1,0,0.0,
+CC(C)(C)[C@H]1C=C(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@@H](OCCCCO)C1,0,0.0,
+CC(C)(C)[C@H]1C=C(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@@H](OCc2ccc(CO)cc2)C1,0,3.0,
+CC(C)(C)[C@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@@H](OCCCCO)C1,0,0.0,
+CC(C)(C)[C@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@@H](OCc2ccc(CO)cc2)C1,0,0.0,
+CC(C)(C)[C@H]1C=C(C(=O)N2CCOCC2)O[C@@H](OCCCCO)C1,0,0.0,
+CC(C)(C)[C@H]1C=C(C(=O)N2CCOCC2)O[C@@H](OCc2ccc(CO)cc2)C1,0,0.0,
+CC(C)(C)[C@H]1C=C(C(=O)NC2CC2)O[C@@H](OCCCCO)C1,0,0.0,
+CC(C)(C)[C@H]1C=C(C(=O)NC2CC2)O[C@@H](OCc2ccc(CO)cc2)C1,0,0.0,
+CC(C)(C)[C@H]1C=C(C(=O)NCc2ccccc2)O[C@@H](OCc2ccc(CO)cc2)C1,0,0.0,
+CC(C)(C)[C@H]1C=C(C(=O)NCc2nc3ccccc3[nH]2)O[C@@H](OCCCCO)C1,0,0.0,
+CC(C)(C)[C@H]1C=C(C(=O)Nc2ccccc2)O[C@@H](OCc2ccc(CO)cc2)C1,0,0.0,
+CC(C)(C)[C@H]1C=C(C(N)=O)O[C@@H](OCc2ccc(CO)cc2)C1,0,0.0,
+CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1,0,4.0,
+CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@H](O)[C@]213,0,0.0,
+CC(C)(C)[Si](OCC[C@@H]1C[C@@]1(C)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,0,0.0,
+CC(C)(C)c1[nH]c2ccccc2c1/C=N/O,0,9.0,
+CC(C)(C)c1[nH]nc2c1C(C1C=CCCC1)C(C#N)=C(N)O2,0,0.0,
+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)O2,0,4.0,
+CC(C)(C)c1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2,0,2.0,
+CC(C)(C)c1[nH]nc2c1C(c1ccccc1OC(=O)N1CCOCC1)C(C#N)=C(N)O2,0,3.0,
+CC(C)(C)c1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2,0,0.0,
+CC(C)(C)c1[nH]nc2c1C(c1ccco1)C(C#N)=C(N)O2,0,0.0,
+CC(C)(C)c1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2,0,10.0,
+CC(C)(C)c1[nH]nc2c1C(c1ccoc1)C(C#N)=C(N)O2,0,0.0,
+CC(C)(C)c1[nH]nc2c1C(c1ccsc1)C(C#N)=C(N)O2,0,0.0,
+CC(C)(C)c1[nH]ncc1[N+](=O)[O-],0,0.0,
+CC(C)(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccccc1,0,1.0,
+CC(C)(C)c1cc(-c2ccco2)c(C#N)c(SCC#N)n1,0,14.0,
+CC(C)(C)c1cc(-c2nc(N)nc(N)n2)cc(C(C)(C)C)c1,0,0.0,
+CC(C)(C)c1cc(-n2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1,0,8.0,
+CC(C)(C)c1cc(/C=N/NC(=O)Cc2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O,0,0.0,
+CC(C)(C)c1cc(/C=N/O)cc(C(C)(C)C)c1O,0,9.0,
+CC(C)(C)c1cc(/C=N/n2cnnc2)cc(C(C)(C)C)c1O,0,1.0,
+CC(C)(C)c1cc(=O)[nH]c(SCc2ccccc2)n1,0,0.0,
+CC(C)(C)c1cc(=O)[nH]c(SCc2ccccc2Cl)n1,0,3.0,
+CC(C)(C)c1cc(=O)n(-c2ccccc2)[nH]1,0,2.0,
+CC(C)(C)c1cc(=O)n2[nH]c(N)nc2n1,0,0.0,
+CC(C)(C)c1cc(=O)n2c(C#N)c(C#N)nc2[nH]1,0,1.0,
+CC(C)(C)c1cc(=O)n2c(nc3ccccc32)[nH]1,0,0.0,
+CC(C)(C)c1cc(Br)c(O)c(N=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1,0,0.0,
+CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ncn[nH]1,0,0.0,
+CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(F)cc2)n(-c2ccccc2)n1,0,1.0,
+CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(O)cc2)n(-c2ccccc2)n1,0,4.0,
+CC(C)(C)c1cc(C(=O)N/N=C/c2ccccc2O)n(-c2ccccc2)n1,0,1.0,
+CC(C)(C)c1cc(C(=O)N/N=C/c2ccco2)n[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)ccn1,0,3.0,
+CC(C)(C)c1cc(C(=O)NCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1,0,2.0,
+CC(C)(C)c1cc(C(=O)NCCN2CCCC2)cc(C(C)(C)C)c1,0,5.0,
+CC(C)(C)c1cc(C(=O)NCc2ccccc2)ccn1,0,0.0,
+CC(C)(C)c1cc(C(=O)NCc2cccnc2)ccn1,0,0.0,
+CC(C)(C)c1cc(C(=O)NCc2ccco2)ccn1,0,12.0,
+CC(C)(C)c1cc(C(=O)Nc2cccc3ccccc23)ccn1,0,8.0,
+CC(C)(C)c1cc(C(=O)Nc2ccccc2)ccn1,0,0.0,
+CC(C)(C)c1cc(C(=O)O)c(CN2CCCCC2)o1,0,4.0,
+CC(C)(C)c1cc(C(=O)O)n[nH]1,0,6.0,
+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(C)(C)C)cc(S(=O)(=O)CCc2ccccn2)c1,0,3.0,
+CC(C)(C)c1cc(C(C)(C)C)n(-c2ccccc2)n1,0,3.0,
+CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(=O)[nH]1,0,1.0,
+CC(C)(C)c1cc(C(F)(F)F)n2ncc(-c3ccccc3)c2n1,0,8.0,
+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,0,2.0,
+CC(C)(C)c1cc(CCC(=O)NN)cc(C(C)(C)C)c1O,0,5.0,
+CC(C)(C)c1cc(CCC(=O)NNC(=O)c2ccco2)cc(C(C)(C)C)c1O,0,0.0,
+CC(C)(C)c1cc(CCC(=O)NNC(=S)NC(=O)c2ccccc2)cc(C(C)(C)C)c1O,0,0.0,
+CC(C)(C)c1cc(CN(CCO)CCO)cc(C(C)(C)C)c1O,0,0.0,
+CC(C)(C)c1cc(CN2CCC(O)CC2)cc(C(C)(C)C)c1O,0,4.0,
+CC(C)(C)c1cc(CN2CCCC(O)C2)c(O)c(C(C)(C)C)c1,0,10.0,
+CC(C)(C)c1cc(CN2CCCCC2)cc(C(C)(C)C)c1O,0,11.0,
+CC(C)(C)c1cc(CN2CCN(CCC#N)CC2)cc(C(C)(C)C)c1O,0,17.0,
+CC(C)(C)c1cc(CN2CCN(CCO)CC2)cc(C(C)(C)C)c1O,0,2.0,
+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(CSC(=S)NC2CCS(=O)(=O)C2)c(Br)c(C(C)(C)C)c1,0,3.0,
+CC(C)(C)c1cc(Cc2ccccc2)[nH]n1,0,0.0,
+CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2cccnc2)c1,0,0.0,
+CC(C)(C)c1cc(N)n(-c2ccc(C(=O)O)cc2)n1,0,1.0,
+CC(C)(C)c1cc(N)n2nc(C(C)(C)C)cc2n1,0,13.0,
+CC(C)(C)c1cc(N)on1,0,0.0,
+CC(C)(C)c1cc(N/C=C\c2nnnn2-c2ccc(Br)cc2)no1,0,0.0,
+CC(C)(C)c1cc(NC(=O)C2(C)CC2(Br)Br)no1,0,0.0,
+CC(C)(C)c1cc(NC(=O)C2CCCO2)no1,0,0.0,
+CC(C)(C)c1cc(NC(=O)CCSc2nnc3ccccn23)cc(C(C)(C)C)c1,0,6.0,
+CC(C)(C)c1cc(NC(=O)COC(=O)C2CC2)n(-c2ccccc2)n1,0,3.0,
+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)COc2ccc(Br)cc2)n(-c2ccccc2)n1,0,3.0,
+CC(C)(C)c1cc(NC(=O)CSc2nnc(N)s2)n(-c2ccccc2)n1,0,1.0,
+CC(C)(C)c1cc(NC(=O)CSc2nnc(NCc3ccccc3)s2)n(-c2ccccc2)n1,0,0.0,
+CC(C)(C)c1cc(NC(=O)CSc2nncs2)n(-c2ccccc2)n1,0,3.0,
+CC(C)(C)c1cc(NC(=O)Nc2ccc(Br)cc2Cl)no1,0,2.0,
+CC(C)(C)c1cc(NC(=O)Nc2ccccc2Cl)no1,0,0.0,
+CC(C)(C)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)no1,0,0.0,
+CC(C)(C)c1cc(NC(=O)c2ccc(OC3CCCC3)cc2)no1,0,0.0,
+CC(C)(C)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1,0,0.0,
+CC(C)(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)no1,0,0.0,
+CC(C)(C)c1cc(NC(=O)c2cccnc2)no1,0,0.0,
+CC(C)(C)c1cc(NC(=O)c2ccco2)n(-c2ccccc2)n1,0,0.0,
+CC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1,0,0.0,
+CC(C)(C)c1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)on1,0,0.0,
+CC(C)(C)c1cc(OC(=O)c2ccccc2F)ccc1O,0,0.0,
+CC(C)(C)c1cc(OC(=O)c2ccncc2)ccc1O,0,4.0,
+CC(C)(C)c1cc(OS(C)(=O)=O)ccc1O,0,4.0,
+CC(C)(C)c1cc(S(=O)(=O)CCc2ccccn2)cc(C(C)(C)C)c1F,0,1.0,
+CC(C)(C)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1O,0,6.0,
+CC(C)(C)c1cc2ccccn2c1C=S,0,0.0,
+CC(C)(C)c1cc2cccnc2n1Cc1cccc(Cl)c1,0,7.0,
+CC(C)(C)c1cc2cccnc2n1Cc1cccc(F)c1,0,5.0,
+CC(C)(C)c1cc2cccnc2n1Cc1ccccc1,0,7.0,
+CC(C)(C)c1cc[n+](-c2nc([O-])sc2C=O)cc1,0,0.0,
+CC(C)(C)c1cc[n+](/C(C(=S)NC2CC2)=C(/[O-])c2ccc(Cl)s2)cc1,0,0.0,
+CC(C)(C)c1cc[n+](/C(C(=S)Nc2ccccc2F)=C(/[O-])c2ccc3c(c2)OCCO3)cc1,0,0.0,
+CC(C)(C)c1cc[n+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2c(C#N)c(N)nc3c2CCCC3)s1,0,0.0,
+CC(C)(C)c1ccc(-c2cc(C(=O)NNC(=O)Nc3ccccc3)c3ccccc3n2)cc1,0,3.0,
+CC(C)(C)c1ccc(-c2cc(N)n[nH]2)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2cn(-c3ccc(Br)cc3)c3[n+]2CCCS3)cc1,1,54.0,1.0
+CC(C)(C)c1ccc(-c2cnco2)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2conc2N)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)n2)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1,0,1.0,
+CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccncc2)cc1,0,1.0,
+CC(C)(C)c1ccc(-c2n[nH]c(=S)n2C2CCCC2)cc1,0,1.0,
+CC(C)(C)c1ccc(-c2n[nH]c(=S)n2CC2CCCO2)cc1,0,2.0,
+CC(C)(C)c1ccc(-c2n[nH]c(=S)n2CCCN2CCOCC2)cc1,0,2.0,
+CC(C)(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1,0,3.0,
+CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3cccnc3)o2)cc1,0,13.0,
+CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3ccncc3)o2)cc1,0,4.0,
+CC(C)(C)c1ccc(-c2nc(C=O)c3ccccn23)cc1,0,1.0,
+CC(C)(C)c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1,0,3.0,
+CC(C)(C)c1ccc(-c2nc3c(C#N)c(-c4ccc5c(c4)OCO5)ccn3n2)cc1,0,3.0,
+CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2ncccc2O)cc1,0,2.0,
+CC(C)(C)c1ccc(-c2nn(CCC#N)cc2/C=N/O)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nnc(N)s2)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1,0,11.0,
+CC(C)(C)c1ccc(-c2nnc(SC3CCOC3=O)n2Cc2ccccc2)cc1,0,9.0,
+CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3CCS(=O)(=O)C3)n2N)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nnc(SCC(=O)O)n2N)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nnc(SCCC#N)n2C2CCCC2)cc1,0,0.0,
+CC(C)(C)c1ccc(-c2nnc(SCCN3C(=O)c4ccccc4C3=O)o2)cc1,0,6.0,
+CC(C)(C)c1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1,0,10.0,
+CC(C)(C)c1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1,0,0.0,
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+CC(C)(C)c1ccc(OCC(=O)NNC(=O)C2CCCO2)cc1,0,0.0,
+CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1,0,1.0,
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+CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c4c(cccc24)C(=O)NC3=O)cc1,0,0.0,
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+CC(C)(C)c1ccc(OCC(=O)OCCNC(=O)c2cccnc2)cc1,0,2.0,
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+CC(C)(C)c1ccc(OCC(O)CNC(=O)c2ccccc2C(=O)O)cc1,0,16.0,
+CC(C)(C)c1ccc(OCC(O)CS(=O)(=O)c2ccccn2)cc1,0,0.0,
+CC(C)(C)c1ccc(OCC(O)CSc2ncn[nH]2)cc1,0,1.0,
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+CC(C)(C)c1ccc(OCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1,0,5.0,
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+CC(C)(C)c1ccc(OCCCC(=O)NC2=NCCS2)cc1,0,0.0,
+CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,0,0.0,
+CC(C)(C)c1ccc(OCCCNC2CCCC2)cc1,0,1.0,
+CC(C)(C)c1ccc(OCCCNCc2ccccc2)cc1,0,6.0,
+CC(C)(C)c1ccc(OCCN2CCCC2)cc1,0,8.0,
+CC(C)(C)c1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1,0,0.0,
+CC(C)(C)c1ccc(OCCNC(=O)c2ncn[nH]2)cc1,0,2.0,
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+CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,0,0.0,
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+CC(C)(C)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1,0,0.0,
+CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1,0,4.0,
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+CC(C)(C)c1ccc(SCC(N)=O)cc1,0,0.0,
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+CC(C)(C)c1ccc2c(c1)N(CC(=O)O)C(=O)CO2,0,3.0,
+CC(C)(C)c1ccc2c(c1)OC(C(=O)N/N=C\c1ccccn1)CO2,0,2.0,
+CC(C)(C)c1ccc2c(c1)OCC(C(=O)O)O2,0,2.0,
+CC(C)(C)c1cccc(/C=N/O)c1O,0,5.0,
+CC(C)(C)c1cccc(OCCCSc2ncccn2)c1,0,6.0,
+CC(C)(C)c1cccc(Oc2nn[nH]n2)c1,0,2.0,
+CC(C)(C)c1ccccc1N=Cc1ccc2ccccc2n1,0,3.0,
+CC(C)(C)c1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21,0,0.0,
+CC(C)(C)c1ccccc1NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O,0,0.0,
+CC(C)(C)c1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3,0,0.0,
+CC(C)(C)c1ccccc1NC(=O)c1cccnc1,0,2.0,
+CC(C)(C)c1ccccc1NC(=O)c1ccco1,0,0.0,
+CC(C)(C)c1ccccc1NC(=S)NC1CCCCC1,0,0.0,
+CC(C)(C)c1ccccc1NC(=S)NCc1ccccc1,0,1.0,
+CC(C)(C)c1ccccc1OCC(=O)NCCC(=O)O,0,0.0,
+CC(C)(C)c1ccccc1OCC(=O)Nc1ncn[nH]1,0,0.0,
+CC(C)(C)c1ccccc1OCCCCCNCCO,0,10.0,
+CC(C)(C)c1ccccc1OCCCCCn1ccnc1,0,0.0,
+CC(C)(C)c1ccccc1OCCCCN1CCCC1,0,12.0,
+CC(C)(C)c1ccccc1OCCN1CCCC1,0,5.0,
+CC(C)(C)c1ccccc1OCCOCCN1CCCCCC1,0,5.0,
+CC(C)(C)c1ccccc1OCCOCCNCc1ccccc1,0,7.0,
+CC(C)(C)c1ccccc1OCCOCCSc1ncccn1,0,3.0,
+CC(C)(C)c1cn(-c2ccc(Cl)cc2)c(=S)[nH]1,0,2.0,
+CC(C)(C)c1cn(-c2ccc(F)cc2)c(=S)[nH]1,0,3.0,
+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(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1,0,0.0,
+CC(C)(C)c1cnnn1-c1ccc(C(=O)CCl)cc1,0,0.0,
+CC(C)(C)c1cnnn1-c1ccc(C=O)cc1,0,0.0,
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+CC(C)(C)c1cnnn1-c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,0,0.0,
+CC(C)(C)c1cnnn1-c1ccc([N+](=O)[O-])cc1,0,0.0,
+CC(C)(C)c1cnnn1-c1cccc([N+](=O)[O-])c1,0,5.0,
+CC(C)(C)c1csc(N(CCC#N)CCC#N)n1,0,0.0,
+CC(C)(C)c1csc(N/N=C/c2cccnc2)n1,0,1.0,
+CC(C)(C)c1csc(N2CCOCC2)n1,0,0.0,
+CC(C)(C)c1csc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)n1,0,0.0,
+CC(C)(C)c1csc(NC(=O)Cc2cccs2)n1,0,0.0,
+CC(C)(C)c1csc(NC(=O)Cn2c(=O)oc3ccccc32)n1,0,5.0,
+CC(C)(C)c1csc(NC(=O)Cn2cnc3ccccc3c2=O)n1,0,2.0,
+CC(C)(C)c1csc(NC(=O)Nc2ccccc2)n1,0,1.0,
+CC(C)(C)c1csc(NC(=O)c2ccc(Cl)s2)n1,0,0.0,
+CC(C)(C)c1csc(NC(=O)c2ccc3nccnc3c2)n1,0,0.0,
+CC(C)(C)c1csc(NC(=O)c2cccs2)n1,0,0.0,
+CC(C)(C)c1csc(NC(=O)c2ccncc2)n1,0,0.0,
+CC(C)(C)c1csc(NC2=NS(=O)(=O)c3ccccc32)n1,0,3.0,
+CC(C)(C)c1csc(NNC(=O)c2ccc(Br)cc2)n1,0,0.0,
+CC(C)(C)c1csc(SCC(=O)Nc2ccc(Cl)cn2)n1,0,0.0,
+CC(C)(C)c1n[nH]c(=S)n(/N=C/c2cccs2)c1=O,0,0.0,
+CC(C)(C)c1n[nH]c(=S)n(N)c1=O,0,3.0,
+CC(C)(C)c1n[nH]c2c1CCCC2,0,10.0,
+CC(C)(C)c1nc(C(C)(C)C)c(Br)c(=O)[nH]1,0,0.0,
+CC(C)(C)c1nc(CN2CCCCC2)cc(CN2CCCCC2)c1O,0,0.0,
+CC(C)(C)c1nc(CN2CCOCC2)cc(CN2CCOCC2)c1O,0,0.0,
+CC(C)(C)c1nc(CN2CCOCC2)ccc1O,0,0.0,
+CC(C)(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c2nnn(Cc3ccccc3)c2n1,0,15.0,
+CC(C)(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c2nnn(Cc3ccccc3Cl)c2n1,0,0.0,
+CC(C)(C)c1nc(NC(=O)Nc2ccccc2)sc1Br,0,2.0,
+CC(C)(C)c1nc(NCC2CCCO2)c2nnn(Cc3ccccc3)c2n1,0,1.0,
+CC(C)(C)c1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1,0,4.0,
+CC(C)(C)c1nc(NCc2ccc3c(c2)OCO3)c2nnn(Cc3ccccc3Cl)c2n1,0,0.0,
+CC(C)(C)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCOCC2)o1,0,0.0,
+CC(C)(C)c1nc(SCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2n1,0,0.0,
+CC(C)(C)c1nc(SCC(=O)N2CCCC2)c2ccccc2n1,0,2.0,
+CC(C)(C)c1nc(SCC(=O)NCc2ccco2)c2ccccc2n1,0,3.0,
+CC(C)(C)c1nc(SCC(=O)NCc2cccs2)c2ccccc2n1,0,4.0,
+CC(C)(C)c1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1,0,6.0,
+CC(C)(C)c1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1,0,0.0,
+CC(C)(C)c1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2ccccc2n1,0,0.0,
+CC(C)(C)c1nc(SCC(=O)c2ccccc2)c2ccccc2n1,0,0.0,
+CC(C)(C)c1nc2c(Br)cc(Br)cc2c(=O)o1,0,0.0,
+CC(C)(C)c1nc2c(C#N)c(-c3ccc(Cl)cc3)ccn2n1,0,11.0,
+CC(C)(C)c1nc2cc(Cl)c([N+](=O)[O-])cc2o1,0,7.0,
+CC(C)(C)c1nc2ccc([N+](=O)[O-])cc2[nH]1,0,0.0,
+CC(C)(C)c1nc2ccccc2[nH]1,0,3.0,
+CC(C)(C)c1nc2ccccc2c(=O)n1N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)NCc3ccco3)n12,0,0.0,
+CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3nc4ccccc4s3)n12,0,7.0,
+CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3nccs3)n12,0,2.0,
+CC(C)(C)c1nc2sc3c(c2c(=O)o1)CCCC3,0,7.0,
+CC(C)(C)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)o1,0,0.0,
+CC(C)(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)o1,0,0.0,
+CC(C)(C)c1nc2scc(-c3cccs3)c2c(=O)o1,0,6.0,
+CC(C)(C)c1nc[nH]c(=O)c1Br,0,0.0,
+CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccc4c(c3)OCO4)cc12,0,12.0,
+CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccco3)cc12,0,0.0,
+CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc4c(c3)OCCO4)cc12,0,0.0,
+CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(C=O)cc12,0,0.0,
+CC(C)(C)c1nn2cnnc2n(/N=C/c2ccc(O)cc2)c1=O,0,0.0,
+CC(C)(C)c1nn2cnnc2n(/N=C/c2cccc3ccccc23)c1=O,0,0.0,
+CC(C)(C)c1nn2cnnc2n(/N=C/c2ccccc2)c1=O,0,4.0,
+CC(C)(C)c1nnc(N/N=C/c2cc(Br)ccc2O)n(N)c1=O,0,2.0,
+CC(C)(C)c1nnc(N/N=C/c2ccc(Br)cc2)n(N)c1=O,0,1.0,
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+CC(C)(C)n1nnnc1C(c1ccc2ncccc2c1)N1CCC(O)CC1,0,3.0,
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+CC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCCCCC1,0,4.0,
+CC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCCc2ccccc21,0,16.0,
+CC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCN2CCCC2C1,0,3.0,
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+CC(C)(C)n1nnnc1C(c1ccccc1F)N(Cc1ccco1)CC1CCCO1,0,11.0,
+CC(C)(C)n1nnnc1C(c1ccccc1F)N1CCN(C2CCCC2)CC1,0,3.0,
+CC(C)(C)n1nnnc1C(c1ccccn1)N(Cc1ccccc1)Cc1ccc(Cl)cc1,0,9.0,
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+CC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(C2CCCCC2)CC1,0,1.0,
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+CC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(c2ccccc2F)CC1,0,0.0,
+CC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(c2ccccn2)CC1,0,0.0,
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+CC(C)(C)n1nnnc1C(c1cccs1)N(Cc1cccnc1)Cc1ccccc1Cl,0,13.0,
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+CC(C)(C)n1nnnc1C(c1cccs1)N1CCCC2(CCCCC2)C1,0,0.0,
+CC(C)(C)n1nnnc1C(c1cccs1)N1CCCc2ccccc21,0,5.0,
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+CC(C)(C)n1nnnc1C(c1cccs1)N1CCN(Cc2ccccc2)CC1,0,5.0,
+CC(C)(C)n1nnnc1C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0.0,
+CC(C)(C)n1nnnc1C(c1ccncc1)N(Cc1ccccc1)Cc1ccco1,0,10.0,
+CC(C)(C)n1nnnc1C(c1ccncc1)N1CCCCCC1,0,2.0,
+CC(C)(C)n1nnnc1C(c1ccncc1)N1CCN(C2CCCCC2)CC1,0,1.0,
+CC(C)(C)n1nnnc1C(c1ccncc1)N1CCN(c2ccc(O)cc2)CC1,0,0.0,
+CC(C)(C)n1nnnc1CN(Cc1ccc(F)cc1)Cc1ccco1,0,5.0,
+CC(C)(C)n1nnnc1CN(Cc1cccnc1)Cc1ccccc1Cl,0,6.0,
+CC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0.0,
+CC(C)(C)n1nnnc1CN1C2CCC1CC(NC(=O)Nc1ccccc1)C2,0,8.0,
+CC(C)(C)n1nnnc1CN1CCC(NC(=O)NC2CCCCC2)CC1,0,0.0,
+CC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1,0,4.0,
+CC(C)(C)n1nnnc1CN1CCN(C2CCCC2)CC1,0,0.0,
+CC(C)(C)n1nnnc1CN1CCN2CCCC2C1,0,0.0,
+CC(C)(C)n1nnnc1CN1CCSCC1,0,0.0,
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+CC(C)(CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1,0,2.0,
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+CC(C)(CNC(=O)C1CCCN1C(=O)c1cccs1)N1CCOCC1,0,0.0,
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+CC(C)(CNC(=S)NCCc1ccccc1)CNC(=S)NCCc1ccccc1,0,0.0,
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+CC(C)=C1SC(N2CCCCC2)=NC1=O,0,6.0,
+CC(C)=C1SC(N2CCN(Cc3ccccc3)CC2)=NC1=O,0,0.0,
+CC(C)=C1SC(N2CCN(c3ccc(C)cc3)CC2)=NC1=O,0,0.0,
+CC(C)=C1SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O,0,0.0,
+CC(C)=C1SC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=NC1=O,0,4.0,
+CC(C)=C1SC(N2CCN(c3cccc(C)c3)CC2)=NC1=O,0,5.0,
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+CC(C)=CC(=O)OCC(=O)NC(=O)NC(C)(C)C,0,0.0,
+CC(C)=CC(=O)OCC(=O)NC1CCCc2ccccc21,0,0.0,
+CC(C)=CC(=O)OCC(=O)Nc1cc(C)cc(C)c1,0,3.0,
+CC(C)=CC(=O)OCC(=O)Nc1cc(C)ccc1C,0,6.0,
+CC(C)=CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F,0,0.0,
+CC(C)=CC(=O)OCC(=O)Nc1ccc(Cl)cc1,0,0.0,
+CC(C)=CC(=O)OCC(=O)Nc1ccc(Cl)cn1,0,5.0,
+CC(C)=CC(=O)OCC(=O)Nc1ccc(F)cc1Cl,0,2.0,
+CC(C)=CC(=O)OCC(=O)Nc1ccc(SC(F)F)cc1,0,7.0,
+CC(C)=CC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1,0,3.0,
+CC(C)=CC(=O)OCC(=O)Nc1ccccc1Cl,0,3.0,
+CC(C)=CC(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl,0,6.0,
+CC(C)=CC(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl,0,0.0,
+CC(C)=CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2,0,1.0,
+CC(C)=CC/C=C1\CCC(C(=O)O)C(C(=O)O)C1,0,5.0,
+CC(C)=CC1C(C(=O)Nc2ccc(Br)cn2)C1(C)C,0,9.0,
+CC(C)=CC1C=C(C)C(C)C2C(=O)NNC(=O)C12,0,0.0,
+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)NC1CCCCC1,0,2.0,
+CC(C)=CCC/C(C)=C/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1,0,0.0,
+CC(C)=CCC/C(C)=C/C=N/NC(=O)c1cccc([N+](=O)[O-])c1,0,5.0,
+CC(C)=CCC/C(C)=C/C=N/NC(=O)c1ccccc1[N+](=O)[O-],0,2.0,
+CC(C)=CCC/C(C)=C/CC(C)(C)CNCCN1CCNCC1,0,7.0,
+CC(C)=CCC/C(C)=C/CC/C(C)=N/O,0,3.0,
+CC(C)=CCC/C(C)=C/CCC(C)NCCN1CCNCC1,0,14.0,
+CC(C)=CCC/C(C)=C/CN(CC(C)O)CC(C)O,0,0.0,
+CC(C)=CCC/C(C)=C/COc1ccc2ccc(=O)oc2c1,0,11.0,
+CC(C)=CCC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O,0,0.0,
+CC(C)=CCC12CN3CCN(CC(C3)C1=O)C2,0,0.0,
+CC(C)=CCCC(C)CN(C)CCc1ccccn1,0,9.0,
+CC(C)=CCCC(C)CN1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1,0,11.0,
+CC(C)=CCCC(C)CN1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1,0,0.0,
+CC(C)=CCCC(C)CN1CCC(N2CCC(C(=O)NC(C)C)CC2)CC1,0,9.0,
+CC(C)=CCCC(C)CN1CCC(O)CC1,0,1.0,
+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)=CCCC1(C)C=Cc2c(ccc3c2[nH]c2cc(O)c(C)cc23)O1,0,3.0,
+CC(C)=CCCC1=CCC(/C(C)=N/NC(N)=O)CC1,0,6.0,
+CC(C)=CCCC1=CCC(/C=N/NC(N)=O)C(C)C1,0,0.0,
+CC(C)=CCCC1=CCC2C(=O)NNC(=O)C2C1,0,0.0,
+CC(C)=CCN1CCN(CC#Cc2ccccc2)CC1CCO,0,8.0,
+CC(C)=CCN1CCN(CCC2=C(C)CCCC2(C)C)CC1CCO,0,11.0,
+CC(C)=CCN1CCN(CCCn2cccn2)CC1CCO,0,0.0,
+CC(C)=CCN1CCN(Cc2c(C)nn(C)c2Cl)CC1CCO,0,0.0,
+CC(C)=CCN1CCN(Cc2cc(C(C)C)n[nH]2)CC1CCO,0,2.0,
+CC(C)=CCN1CCN(Cc2cc(F)ccc2-n2nc(C)cc2C)CC1CCO,0,17.0,
+CC(C)=CCN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)CC1CCO,0,1.0,
+CC(C)=CCN1CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1CCO,0,0.0,
+CC(C)=CCN1CCN(Cc2ccc(C)s2)CC1CCO,0,6.0,
+CC(C)=CCN1CCN(Cc2ccc(N3CCNC3=O)cc2)CC1CCO,0,3.0,
+CC(C)=CCN1CCN(Cc2ccc(Oc3ncccn3)cc2)CC1CCO,0,0.0,
+CC(C)=CCN1CCN(Cc2ccc(Sc3nncn3C)o2)CC1CCO,0,4.0,
+CC(C)=CCN1CCN(Cc2ccc3nsnc3c2)CC1CCO,0,0.0,
+CC(C)=CCN1CCN(Cc2cccc3c2OCO3)CC1CCO,0,11.0,
+CC(C)=CCN1CCN(Cc2cccc3nccnc23)CC1CCO,0,0.0,
+CC(C)=CCN1CCN(Cc2cccc3nonc23)CC1CCO,0,0.0,
+CC(C)=CCN1CCN(Cc2cccn2-c2ccccn2)CC1CCO,0,3.0,
+CC(C)=CCN1CCN(Cc2cccn2-c2ncccn2)CC1CCO,0,5.0,
+CC(C)=CCN1CCN(Cc2cccn2-c2nccs2)CC1CCO,0,4.0,
+CC(C)=CCN1CCN(Cc2cccnc2)CC1CCO,0,1.0,
+CC(C)=CCN1CCN(Cc2ccoc2)CC1CCO,0,4.0,
+CC(C)=CCN1CCN(Cc2cn[nH]c2C2CCCCC2)CC1CCO,0,0.0,
+CC(C)=CCN1CCN(Cc2cnc(-c3ccccc3)s2)CC1CCO,0,6.0,
+CC(C)=CCN1CCN(Cc2cnc(C)s2)CC1CCO,0,2.0,
+CC(C)=CCN1CCN(Cc2cnc(N3CCCC3)s2)CC1CCO,0,4.0,
+CC(C)=CCN1CCN(Cc2cnc(N3CCOCC3)s2)CC1CCO,0,0.0,
+CC(C)=CCN1CCN(Cc2nc(-c3ccccc3)cs2)CC1CCO,0,0.0,
+CC(C)=CCN1CCN(Cc2nc(C(C)C)cs2)CC1CCO,0,0.0,
+CC(C)=CCN1CCNC(=O)C1CC(=O)NCc1nc(C)c(C)s1,0,0.0,
+CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12,0,6.0,
+CC(C)=CCOc1c2occc2cc2ccc(=O)oc12,0,0.0,
+CC(C)=CCOc1ccc2ccc(=O)oc2c1,0,0.0,
+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)o1,0,9.0,
+CC(C)=CC[N+]1(C)CCCCC1,0,5.0,
+CC(C)=CCc1c(C)nc2ccccc2c1C(=O)O,0,6.0,
+CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)CC(c1ccc(O)cc1)O2,0,0.0,
+CC(C)=CCc1c(O)ccc(C(=O)Cc2ccccc2)c1O,0,2.0,
+CC(C)=CCc1c(O)ccc2c1OC(c1ccc(O)c(O)c1)CC2=O,0,0.0,
+CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2,0,6.0,
+CC(C)=Cc1c(O)nc2ccccn2c1=O,0,3.0,
+CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1CC(C)OC(C)C1,0,0.0,
+CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1CCOCC1,0,0.0,
+CC(C)=N/N=C(/c1ccc([N+](=O)[O-])cc1)C12CN3CN(CN(C3)C1)C2,0,4.0,
+CC(C)=N/N=C(\N)N[N+](=O)[O-],0,2.0,
+CC(C)=N/N=C(\c1cccc([N+](=O)[O-])c1)C12CN3CN(CN(C3)C1)C2,0,0.0,
+CC(C)=N/N=C1/NC(=O)C(CC(=O)Nc2cc(Cl)ccc2C)S1,0,0.0,
+CC(C)=N/N=c1\scc(C)n1Cc1ccco1,0,0.0,
+CC(C)=NN/C(N)=N/C(=S)Nc1ccc(C)cc1,0,0.0,
+CC(C)=NNC(=O)CN1C(=O)NC2NC(=O)NC21,0,2.0,
+CC(C)=NNc1cc([N+](=O)[O-])cc2c1c(=O)n(C)[s+]2[O-],0,3.0,
+CC(C)=NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1,0,1.0,
+CC(C)=NNc1nc(-c2ccccc2)c(C)s1,0,3.0,
+CC(C)=NNc1nc(-c2ccccc2)cs1,0,0.0,
+CC(C)=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CC(C)=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,0,0.0,
+CC(C)=NNc1nc2sc3c(c2c(=O)[nH]1)CC(C)(C)OC3,0,4.0,
+CC(C)=NNc1nnc(Cl)c2ccccc12,0,0.0,
+CC(C)=NOC(=O)c1ccc(-c2ccccc2)cc1,0,7.0,
+CC(C)=NOCC(=O)Nn1c(C)nc2ccccc2c1=O,0,2.0,
+CC(C)=NOCc1ccc(-c2cn([C@@H]3COC[C@H]3O)nn2)cc1,0,0.0,
+CC(C)=NOc1cc(NC(=O)CCl)cc([N+](=O)[O-])c1,0,0.0,
+CC(C)=NOc1nc(N(C)C)nc(N(C)C)n1,0,0.0,
+CC(C)=Nc1ccccc1C1COC(=O)C1=N,0,13.0,
+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,0,1.0,
+CC(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)C,0,0.0,
+CC(C)C(=O)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1,0,0.0,
+CC(C)C(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1,0,3.0,
+CC(C)C(=O)N(Cc1ccccc1)c1ccccn1,0,6.0,
+CC(C)C(=O)N(Nc1nc2ccccc2s1)C(=O)C(C)C,0,6.0,
+CC(C)C(=O)N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1cccs1,0,5.0,
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+CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1,0,0.0,
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+CC(C)C(=O)N1C2CCC1CC(O)(c1ccc(F)cc1)C2,0,0.0,
+CC(C)C(=O)N1CCC(CN=CC2=C(O)CC(C)(C)CC2=O)CC1,0,0.0,
+CC(C)C(=O)N1CCC(CN=Cc2c(O)n(C3CCCCC3)c(=O)n(C3CCCCC3)c2=O)CC1,0,4.0,
+CC(C)C(=O)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1,0,0.0,
+CC(C)C(=O)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)no2)CC1,0,0.0,
+CC(C)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,0,6.0,
+CC(C)C(=O)N1CCN(CCN=CC2=C(O)CC(c3ccco3)CC2=O)CC1,0,10.0,
+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(c2c(Cl)cccc2[N+](=O)[O-])CC1,0,12.0,
+CC(C)C(=O)N1CCN(c2cc(N3CCN(C)CC3)c(F)cc2[N+](=O)[O-])CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1,0,2.0,
+CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1,0,5.0,
+CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccs3)cc2Cl)CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC(C)c3ccccc3)c2)CC1,0,9.0,
+CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1,0,0.0,
+CC(C)C(=O)N1CCN(c2ccccc2N)CC1,0,2.0,
+CC(C)C(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2)CC1,0,10.0,
+CC(C)C(=O)N1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1,1,43.0,
+CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1,0,11.0,
+CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C#N)cc2F)CC1,1,41.0,0.0
+CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2cccc(Cl)c2)CC1,0,18.0,
+CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccs2)CC1,0,8.0,
+CC(C)C(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1,0,3.0,
+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)CC1,0,10.0,
+CC(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21,0,3.0,
+CC(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1cccs1,0,0.0,
+CC(C)C(=O)N1N=C2CCCCC2C1(O)C(F)(F)F,0,0.0,
+CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1,0,1.0,
+CC(C)C(=O)N=C1NC(=O)CS1,0,0.0,
+CC(C)C(=O)N=C1SC2CS(=O)(=O)CC2N1Cc1ccccc1,0,5.0,
+CC(C)C(=O)N=c1sc2cc(F)cc(F)c2n1C,0,0.0,
+CC(C)C(=O)NC(=O)COC(=O)/C=C/c1cccs1,0,6.0,
+CC(C)C(=O)NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccccc1,0,0.0,
+CC(C)C(=O)NC(=S)/C=C1/N(C)c2ccccc2C1(C)C,0,1.0,
+CC(C)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1,0,2.0,
+CC(C)C(=O)NC(=S)N1CCc2ccccc21,0,1.0,
+CC(C)C(=O)NC(=S)NCC(=O)c1ccccc1,0,0.0,
+CC(C)C(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1,0,0.0,
+CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1,0,4.0,
+CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0,2.0,
+CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,0,15.0,
+CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1,0,0.0,
+CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1,0,0.0,
+CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,0,0.0,
+CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1,0,4.0,
+CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1,0,0.0,
+CC(C)C(=O)NC(=S)Nc1ccccc1C(F)(F)F,0,1.0,
+CC(C)C(=O)NC(=S)Nc1ccccc1F,0,5.0,
+CC(C)C(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1,0,0.0,
+CC(C)C(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1,0,8.0,
+CC(C)C(=O)NC(=S)Nc1ccccn1,0,4.0,
+CC(C)C(=O)NC(=S)Nc1nnn(C)n1,0,3.0,
+CC(C)C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2,0,6.0,
+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)N1CCOCC1,0,11.0,
+CC(C)C(=O)NC(NC(=O)C(C)C)c1ccc([N+](=O)[O-])cc1,0,0.0,
+CC(C)C(=O)NC(NC(=S)NC1CCS(=O)(=O)C1)C(Cl)(Cl)Cl,0,1.0,
+CC(C)C(=O)NC(NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl,0,0.0,
+CC(C)C(=O)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl,0,0.0,
+CC(C)C(=O)NC(NC1CCS(=O)(=O)C1)C(Cl)(Cl)Cl,0,0.0,
+CC(C)C(=O)NC(NCC1CCCO1)C(Cl)(Cl)Cl,0,0.0,
+CC(C)C(=O)NC(Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl,0,3.0,
+CC(C)C(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl,0,4.0,
+CC(C)C(=O)NC(Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl,0,1.0,
+CC(C)C(=O)NC(Nc1cccc2cccnc12)C(Cl)(Cl)Cl,0,0.0,
+CC(C)C(=O)NC(Nc1ccccc1F)C(Cl)(Cl)Cl,0,0.0,
+CC(C)C(=O)NC(Oc1ccccc1Cl)C(Cl)(Cl)Cl,0,0.0,
+CC(C)C(=O)NC(Sc1ccccc1)C(Cl)(Cl)Cl,0,0.0,
+CC(C)C(=O)NC(c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12,0,0.0,
+CC(C)C(=O)NC(c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12,0,0.0,
+CC(C)C(=O)NC(c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O,0,0.0,
+CC(C)C(=O)NC(c1ccccc1Cl)c1c(O)ccc2ccccc12,0,0.0,
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+CC(C)NC(=S)NNc1nc2ccccc2s1,0,8.0,
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+CC(C)NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0,0.0,
+CC(C)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1,0,1.0,
+CC(C)NC(=S)Nc1ccc2cn[nH]c2c1,0,3.0,
+CC(C)NC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3,0,0.0,
+CC(C)NC(=S)Nc1cccc2cnccc12,0,0.0,
+CC(C)NC(C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1,0,10.0,
+CC(C)NC(C)C(=O)C12CC3CC(CC(C3)C1)C2,0,2.0,
+CC(C)NC(C)C(=O)c1ccc2ccccc2c1,0,7.0,
+CC(C)NC(NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl,0,5.0,
+CC(C)NC(NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl,0,1.0,
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+CC(C)NC1CS(=O)(=O)CC1O,0,0.0,
+CC(C)NCC#CCOc1ccc(Cl)cc1,0,6.0,
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+CC(C)NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,0,9.0,
+CC(C)NCC(O)COC1C2CC3CC(C2)CC1C3,0,0.0,
+CC(C)NCC(O)COC1CCC(C(C)(C)C)CC1,0,5.0,
+CC(C)NCC(O)COCCOc1ccc(Br)cc1,0,16.0,
+CC(C)NCC(O)COCCOc1ccc(C(C)(C)C)cc1,0,5.0,
+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(Br)cc1,0,0.0,
+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)COc1ccc2c(c1)CCC2,0,0.0,
+CC(C)NCC(O)COc1cccc2[nH]ccc12,0,0.0,
+CC(C)NCC(O)Cn1c2c(c3ccccc31)CCc1c-2cnn1-c1ccccc1,0,0.0,
+CC(C)NCC(O)c1ccc(C2CCCC2)cc1,0,0.0,
+CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,0,0.0,
+CC(C)NCCCCOc1ccc(Br)cc1Cl,0,10.0,
+CC(C)NCCCCOc1cccc(Br)c1,0,2.0,
+CC(C)NCCCCOc1ccccc1-c1ccccc1,0,0.0,
+CC(C)NCCCOc1ccc(C(C)(C)c2ccccc2)cc1,0,0.0,
+CC(C)NCCCOc1ccc(Cl)cc1Br,0,8.0,
+CC(C)NCCOCCOc1ccc(Cl)cc1Br,0,0.0,
+CC(C)NCCOCCOc1ccccc1F,0,7.0,
+CC(C)NCCOCCSc1ccc(Cl)cc1,0,0.0,
+CC(C)NCCOc1cccc(Br)c1,0,1.0,
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+CC(c1ccco1)N(C(=O)Nc1ccccc1)C1CCCCC1,0,0.0,
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+CC(c1ccco1)N(C(=O)c1ccccc1F)c1ccccn1,0,6.0,
+CC(c1ccco1)N(C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccn1,0,4.0,
+CC(c1ccco1)N(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1,0,0.0,
+CC(c1ccco1)N(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1,0,4.0,
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+CC(c1ccco1)N(Cc1ccco1)C(=O)Nc1ccccc1,0,0.0,
+CC(c1cccs1)N(C(=O)Nc1ccccc1)C1CCCCC1,0,0.0,
+CC(c1cccs1)N(C)C(=O)CCc1nnc(CCC2CCCCC2)o1,0,4.0,
+CC(c1cccs1)N(C)Cc1nc(CCc2ccccc2)no1,0,5.0,
+CC(c1cccs1)N(Cc1ccco1)C(=O)Nc1ccc(Cl)c(Cl)c1,0,16.0,
+CC(c1cccs1)N(Cc1ccco1)C(=S)Nc1ccc(F)c(Cl)c1,0,7.0,
+CC(c1cccs1)N(Cc1ccco1)C(=S)Nc1ccccc1Cl,0,15.0,
+CC(c1ccncn1)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1,0,3.0,
+CC(c1ccncn1)N(C)Cc1nc(Cc2ccccc2F)no1,0,0.0,
+CC(c1ccon1)N(C)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1,0,0.0,
+CC(c1ccon1)N(C)C(=O)CCc1nnc(CCCCc2ccccc2)o1,0,0.0,
+CC(c1ccon1)N(C)C(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1,0,3.0,
+CC(c1ccon1)N(C)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1,0,2.0,
+CC(c1ccon1)N(C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12,0,0.0,
+CC(c1ccon1)N(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1,0,8.0,
+CC(c1ccon1)N(C)Cc1cn(C)nc1-c1cccc(Cl)c1,0,0.0,
+CC(c1ccon1)N(C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2,0,8.0,
+CC(c1ccon1)N(C)Cc1cn[nH]c1-c1ccc(-c2ccccc2)cc1,0,0.0,
+CC(c1n[nH]c(=S)n1-c1ccc(Cl)cc1)N(C)C,0,2.0,
+CC(c1n[nH]c(=S)n1-c1ccc(F)cc1)N1CCCCC1,0,0.0,
+CC(c1n[nH]c(=S)n1-c1ccccc1)N1CCCCC1,0,1.0,
+CC(c1n[nH]c(=S)n1Cc1ccccc1)N(C)C,0,1.0,
+CC(c1nc2ccccc2c(=O)[nH]1)N(C)c1ccc2ccccc2c1,0,4.0,
+CC(c1nc2ccccc2c(=O)[nH]1)N1CCN(C)CC1,0,8.0,
+CC(c1nc2ccccc2c(=O)[nH]1)N1CCOCC1,0,0.0,
+CC(c1nc2ccccc2o1)N1C(=O)c2ccccc2C1=O,0,0.0,
+CC(c1nccs1)N(C)C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1,0,7.0,
+CC(c1nccs1)N(C)C(=O)CCc1nnc(CCc2ccccc2)o1,0,0.0,
+CC(c1nccs1)N(C)C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1,0,0.0,
+CC(c1nccs1)N(C)c1nc2nonc2nc1N(C)C,0,1.0,
+CC(c1nccs1)N(C)c1nc2nonc2nc1NC1CC1,0,0.0,
+CC(c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1Cc1ccccc1)N(C)C,0,4.0,
+CC(c1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccc(Cl)cc1)N(C)C,0,0.0,
+CC(c1nnc(SCC(=O)NC(=O)NCc2ccco2)n1-c1ccc(Cl)cc1)N(C)C,0,1.0,
+CC(c1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1Cc1ccccc1)N(C)C,0,2.0,
+CC(c1nnc(SCC(=O)Nc2cccnc2Cl)n1-c1ccccc1)N(C)C,0,6.0,
+CC(c1nnc(SCC(=O)Nc2cccnc2Cl)n1Cc1ccccc1)N(C)C,0,0.0,
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+CC/C(C)=N\N=C\c1c(O)n(CC)c2cc(C3=NNC(=O)CC3)ccc12,0,1.0,
+CC/C(C)=N\NC(=O)CNC(=O)c1ccc(Cl)cc1Cl,0,0.0,
+CC/C(C)=N\Nc1nnc(Cl)c2ccccc12,0,5.0,
+CC/C(CC(=O)C(F)(F)F)=N\NC(=O)/C(C#N)=C/N(C)C,0,0.0,
+CC/C(CC(C)(C)c1ccccc1)=N\O,0,0.0,
+CC/C(CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)=N\NC(N)=S,0,0.0,
+CC/C(Cc1ccccc1)=N/NC(=O)CCn1nnc2ccccc21,0,0.0,
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+CC/C(Cc1ccccc1)=N/NC(=O)c1cccc(Br)c1,0,3.0,
+CC/C(Cc1ccccc1)=N\NC(=O)c1cc(C)oc1C,0,9.0,
+CC/C(Cc1ccccc1)=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,0,2.0,
+CC/C(O)=C(/C#N)c1nnc2n1CCCCC2,0,0.0,
+CC/C(O)=C(\C#N)c1nnc2n1CCCCC2,0,1.0,
+CC/C(O)=C1\C(=O)CC(C)(C)CC1=NCCc1nc2ccccc2[nH]1,0,0.0,
+CC/C(O)=C1\C(=O)CC(C)(C)CC1=Nc1ccccc1C,0,0.0,
+CC/C(O)=C1\C(=O)CC(c2ccccc2)CC1=NC(C)C,0,0.0,
+CC/C(O)=C1\C(=O)CC(c2ccccc2)CC1=NCCC(=O)O,0,1.0,
+CC/C(O)=C1\C(=O)CC(c2ccccc2)CC1=NCCc1c(C)[nH]c2ccc(C)cc12,0,3.0,
+CC/C(O)=C1\C(=O)CCCC1=NCCc1nc2ccccc2[nH]1,0,3.0,
+CC/C(O)=C1\C(=O)CCCC1=NCc1nc2ccccc2[nH]1,0,7.0,
+CC/C(O)=N\S(=O)(=O)c1ccc(N=NN(C)C)cc1,0,3.0,
+CC/C=C/C(=O)N1CC2(CC(c3cccc(NC(=O)c4ccccc4)c3)=NO2)C[C@@H]1C(N)=O,0,2.0,
+CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)C2O,0,3.0,
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+CC1(C)CC(=O)C(c2c[nH]c3ccccc23)C(=O)C1,0,2.0,
+CC1(C)CC(=O)C/C(=N/NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1,0,0.0,
+CC1(C)CC(=O)C/C(=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)C1,0,1.0,
+CC1(C)CC(=O)C/C(=N/NC(=O)c2ccc(-c3ccccc3)cc2)C1,0,1.0,
+CC1(C)CC(=O)C/C(=N/Nc2nc3ccccc3s2)C1,0,0.0,
+CC1(C)CC(=O)C/C(=N\NC(=O)C2C3CCCCC32)C1,0,0.0,
+CC1(C)CC(=O)C/C(=N\NC(=O)C2CC23CCC3)C1,0,2.0,
+CC1(C)CC(=O)C/C(=N\NC(=O)C2CC2c2ccccc2)C1,0,1.0,
+CC1(C)CC(=O)C/C(=N\NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1,0,2.0,
+CC1(C)CC(=O)C/C(=N\NC(=O)Cc2ccccc2)C1,0,4.0,
+CC1(C)CC(=O)C/C(=N\NC(=O)c2cccs2)C1,0,0.0,
+CC1(C)CC(=O)C/C(=N\NC(=S)NCc2ccccc2)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)C(c1cn(-c3ccccc3)nc1-c1ccccc1)C(C#N)=C(N)O2,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(C1CCCCC1)C(=O)C2(O)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(CCN1CCOCC1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)c([N+](=O)[O-])c1,0,0.0,
+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(CCN1CCOCC1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(F)c1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(Cc1ccc(F)cc1)C(=O)C2(NC(=O)c1cccnc1)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(=O)C2(NC(=O)C(C)(C)C)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(=O)C2(O)C(F)(F)F,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(Cc1cccnc1)C(=O)C2(NC(=O)c1ccc(F)cc1)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)C2(NC(=O)c1cccnc1)C(F)(F)F,0,7.0,
+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)c1ccc(Cl)cc1Cl)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,0,1.0,
+CC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)C2(O)C(F)(F)F,0,1.0,
+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(N1CCOCC1)C(N)=C(C#N)C2c1cccnc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1cccs1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(=O)C2(O)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C2(NC(=O)c1ccccc1)C(F)(F)F,0,6.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C2(NC(=O)c1ccccc1F)C(F)(F)F,0,3.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C2(O)C(F)(F)F,0,7.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)CC2c1ccccc1,0,1.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)CC2c1cccnc1,0,2.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)CC2c1ccsc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)NC2(C(F)(F)F)C(F)(F)F,0,6.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)C2c1cccs1,0,1.0,
+CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(=O)NC2(C(F)(F)F)C(F)(F)F,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(c1cccc(O)c1)C1=C(C2)C(=O)CC(C)(C)C1,0,4.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C2(O)C(F)(F)F,0,4.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)CC2c1ccc(O)cc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)CC2c1ccsc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)C2c1ccccc1,0,0.0,
+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(c1ccccc1)C(N)=C(C#N)C2c1ccsc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(N)=C(C#N)C2c1cccs1,0,4.0,
+CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)C2c1cccs1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N(c1ncn[nH]1)C(N)=C(C#N)C2c1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)C2c2ccc(Cl)cc2)N=C(N)c2ccccc21,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)C2c2cccc(Cl)c2)N=C(N)c2ccccc21,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)C2c2ccccc2Cl)N=C(N)c2ccccc21,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N1CCCCC1CC2=O,0,1.0,
+CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1C2c1ccc(C(F)(F)F)cc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1C2c1cccc([N+](=O)[O-])c1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1C2c1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)C1C2c1ccc(Cl)cc1,0,1.0,
+CC1(C)CC(=O)C2=C(C1)N=c1s/c(=C/c3ccc(F)c(F)c3)c(=O)n1C2c1ccc(F)cc1,0,7.0,
+CC1(C)CC(=O)C2=C(C1)NC(=O)C21C(C(=O)OC(C)(C)C)=C(N)Oc2ccc(Br)cc21,0,0.0,
+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,0,3.0,
+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)cc1,0,6.0,
+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,0,7.0,
+CC1(C)CC(=O)C2=C(C1)NC(=O)NC2c1ccccc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCC1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCCC1,0,4.0,
+CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC2c1ccccn1,0,3.0,
+CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1)=C(C#N)C21CCCCC1,0,3.0,
+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)NC(SCC(N)=O)=C(C#N)C21CCCCC1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)C2c1ccc(Cl)cc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)C2c1ccc(O)cc1,0,17.0,
+CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)C2c1ccccc1,0,1.0,
+CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)C2c1cccnc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)NCN(Cc1ccc3c(c1)OCO3)C2,0,4.0,
+CC1(C)CC(=O)C2=C(C1)NCN(Cc1ccccc1)C2,0,1.0,
+CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1C2c1ccccc1,0,7.0,
+CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1C2c1ccc2c(c1)OCO2,0,8.0,
+CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1NC2c1ccccn1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1C2c1ccc(F)cc1)OCO3,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1C2c1ccc2c(c1)OCO2)OCO3,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C1CC1)C2c1ccco1,0,8.0,
+CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N1C(=O)c3ccccc3C21,0,3.0,
+CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N=C2,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc2c(c1)OCO2,0,1.0,
+CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,0,7.0,
+CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccs1,0,6.0,
+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)Nc1ncnn1C2c1cccs1,0,2.0,
+CC1(C)CC(=O)C2=C(C1)OC(/N=C/N1CCOCC1)=C(C#N)C2c1ccccc1,0,2.0,
+CC1(C)CC(=O)C2=C(C1)OC(=O)C2(NC(=O)c1cccs1)C(F)(F)F,0,5.0,
+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)N(Cc2ccccc2Cl)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)CC1,0,2.0,
+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#Cc1ccccc1,0,3.0,
+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)C2CCc1ccccc1,0,3.0,
+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)C2c1cc2c(cc1[N+](=O)[O-])OCO2,0,0.0,
+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)C2c1ccc[nH]1,0,4.0,
+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)C2c1ccccc1OC(=O)N1CCOCC1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccccc1[N+](=O)[O-],0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cccs1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccoc1,0,6.0,
+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)C2c1cn(-c2ccccc2)nc1-c1ccc(F)cc1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cn(-c2ccccc2)nc1-c1ccccc1,0,0.0,
+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(N)=C([N+](=O)[O-])C2c1ccc(C#N)s1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(N)=C([N+](=O)[O-])C2c1cccs1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC(c1ccc(O)cc1)C(C#N)=C2N,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,0,9.0,
+CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2(C)C,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,0,0.0,
+CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c([N+](=O)[O-])c1,0,0.0,
+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)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1,0,2.0,
+CC1(C)CC(=O)C2=C(C1)OC1=C(C2)C(=O)CC(C)(C)C1,0,4.0,
+CC1(C)CC(=O)C2=C(C1)OC1OC(=O)CC21C,0,0.0,
+CC1(C)CC(=O)C2=C(C1)Oc1nc3ccccc3cc1C2C(C#N)C#N,0,6.0,
+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)c1C2c1ccccc1,0,1.0,
+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)c1c(ccc3ccccc13)NC2c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,0,3.0,
+CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)NC2c1ccc(Br)o1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)NC2c1ccco1,0,0.0,
+CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)NC2c1cccs1,0,0.0,
+CC1(C)CC(=O)C=C(C(=O)N2CCCC(C(=O)c3cccc(Cl)c3)C2)O1,0,6.0,
+CC1(C)CC(=O)C=C(C(=O)N2CCCC(CCC(=O)NCc3ccccc3F)C2)O1,0,0.0,
+CC1(C)CC(=O)C=C(N2CCCC2)C1,0,1.0,
+CC1(C)CC(=O)C=C(N2CCNCC2)C1,0,0.0,
+CC1(C)CC(=O)C=C(N2CCOCC2)C1,0,0.0,
+CC1(C)CC(=O)C=C(N=CC2=C(O)CC(C)(C)CC2=O)C1,0,7.0,
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+CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(O)[nH]c(=O)[nH]c1=O,0,1.0,
+CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(O)[nH]c(=S)[nH]c1=O,0,0.0,
+CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(O)n(-c2ccc(F)c(Cl)c2)[nH]c1=O,0,0.0,
+CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(O)n(-c2ccc(F)cc2)[nH]c1=O,0,2.0,
+CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(C2CC2)c1C,0,0.0,
+CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2cc(C)ccc2nc1N1CCCCC1,0,0.0,
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+CC1=NN(c2ccccc2)C(=O)/C1=C\C=C1/N(C)c2ccccc2C1(C)C,0,4.0,
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+CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1,1,35.0,1.0
+CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1coc2ccccc2c1=O,0,0.0,
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+CCOC(=O)C1=C(C)NC2=C(C1c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc12,0,0.0,
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+CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2C1c1cccs1,0,0.0,
+CCOC(=O)C1=C(C)Nc2ccc(C)cc2S1,0,0.0,
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+CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)/C=C/c1ccc(OC)cc1OC,0,10.0,
+CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)C(CC)c1ccccc1,0,5.0,
+CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)C(c1ccccc1)c1ccccc1,0,3.0,
+CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)Cc1ccc(Br)cc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)Cc1ccc(Cl)c(Cl)c1,0,8.0,
+CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)Cc1ccc(OC)cc1,0,6.0,
+CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1,0,7.0,
+CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1,0,0.0,
+CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1,0,0.0,
+CCOC(=O)C1=C(C)Nc2nc(=S)[nH]n2C1c1ccc(Cl)cc1,0,0.0,
+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)c1,0,4.0,
+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(SCC)nn2C1c1ccc(OC)cc1,0,2.0,
+CCOC(=O)C1=C(C)Nc2nc(SCc3cccnc3)nn2C1c1ccc(OC)cc1,0,6.0,
+CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccccc1,0,9.0,
+CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccnc1,0,1.0,
+CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1,0,0.0,
+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,0,5.0,
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc(N(C)C)cc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc2c(c1)OCO2,0,1.0,
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1F,0,0.0,
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2ncnn2C1c1cccs1,0,0.0,
+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)Nc2nnnn2C1c1ccccc1Cl,0,0.0,
+CCOC(=O)C1=C(C)Nc2nnnn2C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2C1c1ccc(C(=O)OC)cc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(C)cc3)c(N)c2C1c1ccc(C(=O)OC)cc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(F)cc3)c(N)c2C1c1ccc(C(=O)OC)cc1,0,0.0,
+CCOC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2C1c1ccc(C(=O)OC)cc1,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C12C(=O)N(C)c1ccccc12,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C12C(=O)Nc1ccc(C)cc12,0,7.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1C1CCCCC1,0,2.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccc(C)cc2)c1Cl,0,9.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccccc2)c1Cl,0,1.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(C)sc1C,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(Cl)c(OCC(N)=O)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(F)ccc1F,0,1.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(OC)c2c(c1)OCO2,0,2.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(SCC)oc1C,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2c(cc1Br)OCO2,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2c(cc1[N+](=O)[O-])OCO2,0,1.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2cc(C)ccc2nc1N1CCCCC1,0,1.0,
+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(C)o1,0,3.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(C)s1,0,0.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(O)c(OC)c1,0,3.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)c(C)c1OC,0,6.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)c(CSc2ccccn2)c1,0,1.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cccc(C)c1,0,1.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccccc1,0,1.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cccs1,0,1.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1,0,1.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccsc1,0,4.0,
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cncc(-c2ccc(F)cc2)c1,0,0.0,
+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)cc12,0,1.0,
+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)c1ccccc12,0,4.0,
+CCOC(=O)C1=C(C)S/C(=C\N(C)C)C1=O,0,0.0,
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+CCOC(=O)C1=C(C)n2c(s/c(=C/c3cccc([N+](=O)[O-])c3)c2=O)=NC1c1ccc(O)c(OC)c1,0,1.0,
+CCOC(=O)C1=C(C)n2c(s/c(=C3\C(=O)Nc4ccccc43)c2=O)=NC1c1ccc(OC)cc1,0,2.0,
+CCOC(=O)C1=C(CBr)NC(=O)NC1C,0,0.0,
+CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1ccc(OC)c(OC)c1,0,0.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N/C1=N\S(=O)(=O)c1cc(Br)ccc1Br,0,0.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N/C1=N\S(=O)(=O)c1ccc(C(=O)OCC)cc1,0,6.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N/C1=N\S(=O)(=O)c1ccc2ccccc2c1,0,6.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1N,0,0.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)CCN1C(=O)C2CCCCC2C1=O,0,0.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)CCNC(C)=O,0,0.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)Cn1cnc2ccccc2c1=O,0,6.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)Nc1ccc(Cl)c(Cl)c1,0,5.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)Nc1ccccc1OC,0,0.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl,0,7.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2C)c1,0,13.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,0,0.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,2.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,4.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1,0,17.0,
+CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1oc2ccccc2c1C,0,9.0,
+CCOC(=O)C1=C(CC)OC(N)=C(C#N)C1c1cc(OC)ccc1OC,0,10.0,
+CCOC(=O)C1=C(CC)OC(N)=C(C#N)C1c1ccc(F)cc1F,0,6.0,
+CCOC(=O)C1=C(CC)OC(N)=C(C#N)C1c1ccc(NC(C)=O)cc1,0,0.0,
+CCOC(=O)C1=C(CC)OC(N)=C(C#N)C1c1ccc(OC)c(C)c1OC,0,0.0,
+CCOC(=O)C1=C(CC)OC(N)=C(C#N)C1c1ccc(OC)c(OC)c1OC,0,4.0,
+CCOC(=O)C1=C(CC)OC(N)=C(C#N)C1c1ccc(OC)cc1OC,0,0.0,
+CCOC(=O)C1=C(CC)OC(N)=C(C#N)C1c1cccs1,0,15.0,
+CCOC(=O)C1=C(CC)OC(N)=C(C#N)C1c1ccsc1,0,6.0,
+CCOC(=O)C1=C(CN2CC(C)CC(C)C2)NC(=O)NC1c1ccc2c(c1)OCO2,0,4.0,
+CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)NC1c1ccc(Cl)cc1,0,11.0,
+CCOC(=O)C1=C(CN2CCCCC2)NC(=O)NC1c1cc(C)ccc1C,0,10.0,
+CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)NC1c1ccc2c(c1)OCO2,0,7.0,
+CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)NC1c1cccc([N+](=O)[O-])c1,0,18.0,
+CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)NC1c1ccc2c(c1)OCO2,0,9.0,
+CCOC(=O)C1=C(CN2CCN(CCC#N)CC2)NC(=O)NC1c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)NC1c1cccs1,0,4.0,
+CCOC(=O)C1=C(CN2CCOCC2)NC(=O)NC1c1cc(C)ccc1C,0,2.0,
+CCOC(=O)C1=C(CN2CCOCC2)NC(=O)NC1c1cccc([N+](=O)[O-])c1,0,0.0,
+CCOC(=O)C1=C(CN2CCSCC2)NC(=O)NC1c1cc(C)ccc1C,0,3.0,
+CCOC(=O)C1=C(CN2CCSCC2)NC(=O)NC1c1ccc2c(c1)OCO2,0,4.0,
+CCOC(=O)C1=C(CN2CCSCC2)NC(=O)NC1c1cccc([N+](=O)[O-])c1,0,0.0,
+CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1c1ccc(Cl)cc1,0,0.0,
+CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1c1cccc([N+](=O)[O-])c1,0,1.0,
+CCOC(=O)C1=C(CN2c3ccccc3CC2C)NC(=O)NC1c1ccccc1,0,10.0,
+CCOC(=O)C1=C(CNC(C)(C)CC(C)(C)C)NC(=O)NC1c1cccc([N+](=O)[O-])c1,0,14.0,
+CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)NC1c1cc(C)ccc1C,0,10.0,
+CCOC(=O)C1=C(CNCCOc2ccc(OC)cc2)NC(=O)NC1c1ccc2c(c1)OCO2,0,1.0,
+CCOC(=O)C1=C(CNCCc2ccc(Cl)cc2)NC(=O)NC1c1ccc2c(c1)OCO2,0,0.0,
+CCOC(=O)C1=C(CNCCc2ccc(Cl)cc2)NC(=O)NC1c1cccc([N+](=O)[O-])c1,0,0.0,
+CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)NC1c1cc(C)ccc1C,0,3.0,
+CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)NC1c1ccc(OC)cc1,0,13.0,
+CCOC(=O)C1=C(CNCc2ccc(F)cc2)NC(=O)NC1c1cccc([N+](=O)[O-])c1,0,3.0,
+CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)NC1c1ccc2c(c1)OCO2,0,2.0,
+CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)NC1c1cccc([N+](=O)[O-])c1,0,3.0,
+CCOC(=O)C1=C(COC(=O)C2(C)CC2(Cl)Cl)NC(=O)NC1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1=C(COC(=O)C2(C)CC2(Cl)Cl)NC(=O)NC1c1ccccc1,0,2.0,
+CCOC(=O)C1=C(COc2ccc(C)cc2)NC(=O)NC1c1cc(C)ccc1C,0,1.0,
+CCOC(=O)C1=C(COc2ccc(F)cc2Cl)NC(=O)NC1c1cc(C)ccc1C,0,3.0,
+CCOC(=O)C1=C(CP(=O)(c2ccccc2)c2ccccc2)NC(=O)NC1c1ccc(Cl)cc1,0,4.0,
+CCOC(=O)C1=C(CP(=O)(c2ccccc2)c2ccccc2)NC(=O)NC1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)NC1c1ccc(O)cc1,0,0.0,
+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)NC1c1cccc(OC)c1,0,1.0,
+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,0,3.0,
+CCOC(=O)C1=C(CSCC(=O)OC)NC(=O)NC1c1cc(C)ccc1C,0,2.0,
+CCOC(=O)C1=C(CSCc2ccccc2)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+CCOC(=O)C1=C(CSCc2ccco2)NC(=O)NC1c1cc(C)ccc1C,0,1.0,
+CCOC(=O)C1=C(CSc2n[nH]c(N)n2)NC(=O)NC1C,0,0.0,
+CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)C1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)C1c1ccccc1,0,8.0,
+CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(CSc2nc(-c3ccncc3)ccc2C#N)OC(N)=C(C#N)C1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1=C(CSc2nc(-c3ccncc3)ccc2C#N)OC(N)=C(C#N)C1c1cccnc1,0,2.0,
+CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)C1c1ccccc1,0,7.0,
+CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)C1c1cccs1,0,4.0,
+CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)C1c1cccc(OC)c1OC,0,6.0,
+CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)C1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)C1c1ccccc1,0,3.0,
+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)C1c1ccc(Cl)cc1,0,0.0,
+CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)C1c1ccc(F)cc1,0,5.0,
+CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)C1c1ccccc1,0,0.0,
+CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)C1c1ccncc1,0,5.0,
+CCOC(=O)C1=C(CSc2nc3ccccc3s2)NC(=O)NC1c1cc(C)ccc1C,0,4.0,
+CCOC(=O)C1=C(CSc2nc3ccccc3s2)NC(=O)NC1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1=C(CSc2nc3ccccc3s2)NC(=O)NC1c1cccc([N+](=O)[O-])c1,0,1.0,
+CCOC(=O)C1=C(CSc2nccn2C)NC(=O)NC1c1cc(C)ccc1C,0,5.0,
+CCOC(=O)C1=C(CSc2nccn2C)NC(=O)NC1c1ccc(OC)cc1,0,5.0,
+CCOC(=O)C1=C(CSc2nccn2C)NC(=O)NC1c1ccc2c(c1)OCO2,0,4.0,
+CCOC(=O)C1=C(CSc2nncn2C)NC(=O)NC1c1cc(OCC)ccc1OCC,0,6.0,
+CCOC(=O)C1=C(CSc2nnnn2C)N(C)C(=O)NC1c1ccccc1,0,1.0,
+CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O,0,6.0,
+CCOC(=O)C1=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O,0,4.0,
+CCOC(=O)C1=C(Cc2ccc(F)cc2)C(=O)c2ccccc2C1=O,0,0.0,
+CCOC(=O)C1=C(Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O,0,1.0,
+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,0,1.0,
+CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1ccc(Cl)cc1,0,0.0,
+CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1=C(N)N(c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C(=O)C1,0,0.0,
+CCOC(=O)C1=C(N)N(c2ccc(C)cc2)C2=C(C(=O)CCC2)C1c1cccs1,0,4.0,
+CCOC(=O)C1=C(N)N(c2ccc(N3CCCCC3)cc2)C(=O)C1,0,0.0,
+CCOC(=O)C1=C(N)N(c2ccccc2)C(=O)C1,0,6.0,
+CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)C1c1cccnc1,0,1.0,
+CCOC(=O)C1=C(N)N(c2ccccc2Oc2ccccc2)C(=O)C1,0,0.0,
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+CCOC(=O)C1=C(N)N2C(=O)C(C)SC2=C(C(=O)OC)C1c1ccccc1OC,0,2.0,
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+CCOC(=O)C1=C(NC#N)OC(C)=C(C)C1c1ccc(O)cc1,0,4.0,
+CCOC(=O)C1=C(NC(=O)c2ccc(Br)o2)Nc2ccccc2N=C1,0,4.0,
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+CCOC(=O)C1=C(O)C(Nc2nc3ccccc3s2)(C(F)(F)F)N=C1C,0,2.0,
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+CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C)=C(C#N)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)C1c1cccnc1,0,1.0,
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+CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccc(O)c(OC)c1,0,0.0,
+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,
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+CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2C1c1cccc(OC)c1OC,0,7.0,
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+CCOC(=O)C1=C(c2ccccc2)O/C(=C(/C#N)C(F)(F)F)S1,1,31.0,0.0
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+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)C1C1CCCCC1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccc(Br)s1,0,2.0,
+CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccc(Cl)s1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1cccnc1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccco1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1cccs1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccncc1,0,0.0,
+CCOC(=O)C1=C(c2ccccc2)ON(C)C1c1ccccc1,0,0.0,
+CCOC(=O)C1=C2N(C)c3ccccc3N2CCC1=O,0,0.0,
+CCOC(=O)C1=C2NC(=O)c3ccccc3N2C(=O)C1,0,7.0,
+CCOC(=O)C1=C2SCC(=O)N2C(N)=C(C#N)C1,0,0.0,
+CCOC(=O)C1=C2SCCN2C(=O)C(C#N)C1(C)C,0,3.0,
+CCOC(=O)C1=C2c3cc(OC)c(OC)cc3CC(C)(C)N2C(=O)C1=O,0,0.0,
+CCOC(=O)C1=C2c3ccc4ccccc4c3CC(C)(C)N2C(=O)C1=O,0,0.0,
+CCOC(=O)C1=CC(=C2C(=O)N(CC)C(=S)N(CC)C2=O)c2ccccc2O1,0,2.0,
+CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccsc1,0,0.0,
+CCOC(=O)C1=CN(CC2CCCO2)C=C(C(=O)OCC)C1c1ccccc1C(F)(F)F,0,6.0,
+CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1cccs1,0,3.0,
+CCOC(=O)C1=CN(c2cccc(F)c2)C=C(C(=O)OCC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1,0,3.0,
+CCOC(=O)C1=CSC2=NS(=O)(=O)CCN12,0,2.0,
+CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32,0,8.0,
+CCOC(=O)C1=NN(C(=O)COc2ccccc2)C(O)(c2ccc(Br)cc2)C1,0,0.0,
+CCOC(=O)C1=NN(C(=O)COc2ccccc2)C(O)(c2ccc(Cl)cc2)C1,0,0.0,
+CCOC(=O)C1=NN(C(=O)Cc2ccccc2)C(O)(C(C)(C)C)C1,0,2.0,
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+CCOC(=O)C1=NN(C(=O)Nc2ccc(OC)cc2)C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C12,0,6.0,
+CCOC(=O)C1=NN(C(=O)Nc2cccc(C(F)(F)F)c2)C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C12,0,8.0,
+CCOC(=O)C1=NN(C(=O)c2ccc(C)cc2)C(O)(c2ccc(Cl)cc2)C1,0,1.0,
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+CCOC(=O)C1=NOC(C(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)C1,0,0.0,
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+CCOC(=O)C1=NOC(CNC(=O)C2=NOC(CNC(=O)c3c(-c4ccccc4Cl)noc3C)C2)C1,0,0.0,
+CCOC(=O)C1=NOC(CNC(=O)c2c(-c3ccccc3Cl)noc2C)C1,0,1.0,
+CCOC(=O)C1=NOC(CNC(=O)c2ccccc2Cl)C1,0,1.0,
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+CCOC(=O)C1=NOC2COC3(CCN(c4ncccn4)CC3)OCC12,0,2.0,
+CCOC(=O)C1=Nc2ccccc2C1=[N+]=[N-],0,0.0,
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+CCOC(=O)C1=c2/c(=C/c3ccncc3)c(N)c(C(=O)OC)n2C(=O)C(c2ccncc2)S1,0,14.0,
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+CCOC(=O)C1C(=O)C=C(/C=C/c2ccc(N(C)C)cc2)CC1c1ccccc1,0,5.0,
+CCOC(=O)C1C(=O)C=C(/C=C/c2ccccc2)CC1c1ccc(Cl)cc1,0,4.0,
+CCOC(=O)C1C(=O)C=C(C)C(C(=O)OCC)C1c1ccc(OC)cc1,0,13.0,
+CCOC(=O)C1C(=O)C=C(N2CCOCC2)CC1c1cccc(OC)c1,0,0.0,
+CCOC(=O)C1C(=O)C=C(Nc2ccccc2F)CC1c1ccccc1,0,2.0,
+CCOC(=O)C1C(=O)C=C(c2ccc(Br)cc2)CC1c1ccco1,0,12.0,
+CCOC(=O)C1C(=O)C=C(c2ccc(C)cc2)CC1c1ccc([N+](=O)[O-])cc1,0,3.0,
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+CCOC(=O)C1C(=O)C=C(c2ccc(C)cc2)CC1c1ccco1,0,12.0,
+CCOC(=O)C1C(=O)C=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccco1,0,0.0,
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+CCOC(=O)C1C(=O)N(C(=O)c2cncc(Br)c2)CC1c1ccccc1,0,0.0,
+CCOC(=O)C1C(=O)N(C)C2(C)CC1c1cc(OC)ccc1O2,0,2.0,
+CCOC(=O)C1C(=O)N(C)C2(C)CC1c1ccccc1O2,0,0.0,
+CCOC(=O)C1C(=O)N(O)CC1c1cccc(Oc2ccccc2)c1,0,1.0,
+CCOC(=O)C1C(=O)NC(C)C1c1ccccc1,0,0.0,
+CCOC(=O)C1C(=O)NC(N2CCCCC2)=NC1C(C)C,0,0.0,
+CCOC(=O)C1C(=O)NC(N2CCCCC2)=NC1c1ccccc1,0,0.0,
+CCOC(=O)C1C(=O)NC(N2CCCCC2)=NC1c1ccco1,0,5.0,
+CCOC(=O)C1C(=O)NC(N2CCN(CC)CC2)=NC1c1ccccc1,0,2.0,
+CCOC(=O)C1C(=O)NC(N2CCN(Cc3ccccc3)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)=NC1c1ccccc1,0,1.0,
+CCOC(=O)C1C(=O)NC(N2CCN(c3ccccc3)CC2)=NC1c1ccco1,0,4.0,
+CCOC(=O)C1C(=O)NC(N2CCOCC2)=NC1C(C)C,0,1.0,
+CCOC(=O)C1C(=O)NC(N2CCOCC2)=NC1c1ccco1,0,2.0,
+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)NC(c2ccccc2)=NC1c1ccc(Br)cc1,0,3.0,
+CCOC(=O)C1C(=O)NC(c2ccccc2)=NC1c1ccc(C(C)C)cc1,0,0.0,
+CCOC(=O)C1C(=O)NC(c2ccccc2)=NC1c1ccc(Cl)cc1,0,6.0,
+CCOC(=O)C1C(=O)NC(c2ccccc2)=NC1c1ccc(F)cc1,0,0.0,
+CCOC(=O)C1C(=O)NC(c2ccccc2)=NC1c1ccc(O)c(OC)c1,0,0.0,
+CCOC(=O)C1C(=O)NC(c2ccccc2)=NC1c1ccc(OC)cc1,0,1.0,
+CCOC(=O)C1C(=O)NC(c2ccccc2)=NC1c1cccc(Br)c1,0,1.0,
+CCOC(=O)C1C(=O)NC(c2ccccc2)=NC1c1ccccc1,0,4.0,
+CCOC(=O)C1C(=O)NC2(C)CC1c1cc(OC)ccc1O2,0,0.0,
+CCOC(=O)C1C(=O)NC23CCCC2C1c1ccccc1O3,0,0.0,
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+CCOC(=O)C1C(=O)Oc2ccc3ccccc3c2C1C1CCOC1=O,0,3.0,
+CCOC(=O)C1C(C#N)=C(N)OC(C)=C1c1ccncc1,0,5.0,
+CCOC(=O)C1C(C(=O)NN)C1C(=O)Nc1ccccc1,0,0.0,
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+CCOC(=O)C1C(C(=O)OCC)C1(c1ccccc1)c1ccccc1,0,2.0,
+CCOC(=O)C1C(C)=C(Nc2ccc(OC)cc2)C(=O)N1c1ccc(OC)cc1,0,0.0,
+CCOC(=O)C1C(C)=CC(=O)CC1c1ccco1,0,3.0,
+CCOC(=O)C1C(C)N=C2SCC(=O)N2C1c1cccc(Br)c1,0,6.0,
+CCOC(=O)C1C(CC)NC(=S)NC1(C)O,0,1.0,
+CCOC(=O)C1C(c2cc(OC)c(O)c(OC)c2)NC(=S)NC1(O)C(F)(F)F,0,4.0,
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+CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](c2ccc3c(c2)OCO3)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](c2ccccc2)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](c2cn(C(C)=O)c3ccccc23)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](C)[C@@H]1CCCO,0,1.0,
+CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](C2CC2)[C@@H]1CCCO,0,10.0,
+CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](C2CCCCC2)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](c2ccccc2)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](C)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](C2CC2)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2ccc(Br)cc2)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2cn(C(C)=O)c3ccccc23)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)O)=C[C@@H](C)[C@@H]1CCCO,0,5.0,
+CCO[C@H]1OC(C(=O)O)=C[C@@H](C2CC2)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)O)=C[C@@H](C2CCCCC2)[C@@H]1CCCO,0,0.0,
+CCO[C@H]1OC(C(=O)O)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO,0,5.0,
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+CCO[C@H]1OC(C(=O)O)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO,0,7.0,
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+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nc2c(C)cccc2s1,0,0.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nc2ccc(C)cc2s1,0,0.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nc2ccc(F)cc2s1,0,0.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nc2ccccc2[nH]1,0,3.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nc2ccccc2s1,0,0.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1ncc(C)s1,0,0.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nccs1,0,0.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nnc(C2CC2)s1,0,0.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1,0,4.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1,0,2.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1,0,9.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)OCC(=O)N(C(C)C)C(C)C,0,0.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)OCC(=O)Nc1ccc(C)cc1,0,4.0,
+CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1,0,1.0,
+CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccccc1,0,0.0,
+CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)CC1c1ccc(C)cc1,0,0.0,
+CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)CC1c1ccccc1,0,0.0,
+CCS(=O)(=O)N1N=C(c2ccccc2)CC1c1ccc2nccnc2c1,0,0.0,
+CCS(=O)(=O)NC(C)C(c1cccs1)N1CCN(C)CC1,0,0.0,
+CCS(=O)(=O)NC(C)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1,0,5.0,
+CCS(=O)(=O)NC(C)C(c1cccs1)N1CCN(c2ccc(OC)cc2)CC1,0,0.0,
+CCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1,0,5.0,
+CCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccc(OC)cc2)CC1,0,3.0,
+CCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccccc2)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)NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1,0,1.0,
+CCS(=O)(=O)NCC(c1ccco1)N1CCN(c2ccccc2)CC1,0,0.0,
+CCS(=O)(=O)NCC(c1ccco1)N1CCN(c2ccccc2F)CC1,0,8.0,
+CCS(=O)(=O)NCCCCc1ccccc1,0,5.0,
+CCS(=O)(=O)NCCCc1ccccc1,0,1.0,
+CCS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1,0,0.0,
+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,0,2.0,
+CCS(=O)(=O)NCCc1cc2ccc(C)cc2[nH]c1=O,0,2.0,
+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)n1,0,1.0,
+CCS(=O)(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3,0,5.0,
+CCS(=O)(=O)NCc1ccc2c(c1)cc(C)n2C,0,0.0,
+CCS(=O)(=O)NCc1cn2c(C)csc2n1,0,5.0,
+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)NCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,0,0.0,
+CCS(=O)(=O)Nc1c(C(=O)O)[nH]c2ccccc12,0,6.0,
+CCS(=O)(=O)Nc1c(C(=O)OC)[nH]c2ccccc12,0,0.0,
+CCS(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,3.0,
+CCS(=O)(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C,0,3.0,
+CCS(=O)(=O)Nc1cc(C(=O)O)ccc1C,0,4.0,
+CCS(=O)(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC,0,8.0,
+CCS(=O)(=O)Nc1ccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)cc1,0,0.0,
+CCS(=O)(=O)Nc1ccc(-c2ccc(NS(=O)(=O)CC)c(OC)c2)cc1OC,0,0.0,
+CCS(=O)(=O)Nc1ccc(-c2nc3cccnc3s2)cc1,0,0.0,
+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)cc1,0,3.0,
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+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)cc1,0,6.0,
+CCS(=O)(=O)Nc1ccc(C(=O)c2ccccc2)cc1,0,0.0,
+CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccc(C)cc3)C2)cc1,0,0.0,
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+CCS(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,0,0.0,
+CCS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2,0,5.0,
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+CCS(=O)(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)c1,0,0.0,
+CCS(=O)(=O)Nc1cccc(-c2ccc3nnc(C)n3n2)c1,0,5.0,
+CCS(=O)(=O)Nc1cccc(-c2nc3cccnc3s2)c1C,0,0.0,
+CCS(=O)(=O)Nc1cccc(C(=O)CC2(O)C(=O)Nc3ccccc32)c1,0,3.0,
+CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)C(c3cccs3)C2)c1,0,0.0,
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+CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3cccs3)C2)c1,0,15.0,
+CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)C(c3ccccc3)C2)c1,0,2.0,
+CCS(=O)(=O)Nc1ccccc1C(N)=O,0,4.0,
+CCS(=O)(=O)c1c(S(=O)(=O)CC)c2ccccn2c1C(N)=O,0,0.0,
+CCS(=O)(=O)c1c([N+](=O)[O-])ncn1C,0,4.0,
+CCS(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)c(Cl)c1Cl,0,0.0,
+CCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3)n2)c(Cl)c1Cl,0,5.0,
+CCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3Cl)n2)c(Cl)c1Cl,0,0.0,
+CCS(=O)(=O)c1ccc(C(=O)NC)c(Cl)c1Cl,0,1.0,
+CCS(=O)(=O)c1ccc(C(=O)NC2CC2)c(Cl)c1Cl,0,4.0,
+CCS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)c(Cl)c1Cl,0,0.0,
+CCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)c(Cl)c1Cl,0,0.0,
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+CCS(=O)(=O)c1ccc(N=Nc2ccc(O)c3ncccc23)c(OC)c1,0,2.0,
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+CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)(C)C)cc3)nc2c1,0,3.0,
+CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)C)cc3)nc2c1,0,0.0,
+CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC)cc3)nc2c1,0,1.0,
+CCS(=O)(=O)c1ccc2oc(Nc3cccc(OC)c3)nc2c1,0,0.0,
+CCS(=O)(=O)c1ccc2oc(Nc3ccccc3C)nc2c1,0,0.0,
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+CCS(=O)(=O)c1ccc2oc(SCC(=O)N3c4ccccc4CC3C)nc2c1,0,10.0,
+CCS(=O)(=O)c1ccc2oc(SCC(=O)NC(C)C3CC4CCC3C4)nc2c1,0,6.0,
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+CCS(=O)(=O)c1ccc2oc(SCC(=O)NCCc3ccccc3)nc2c1,0,0.0,
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+CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(OC)c(OC)c3)nc2c1,0,0.0,
+CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(OC)cc3)nc2c1,0,2.0,
+CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(OC)cc3OC)nc2c1,0,0.0,
+CCS(=O)(=O)c1ccc2oc(SCC(=O)c3ccco3)nc2c1,0,2.0,
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+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCCN(C)C)s1,0,0.0,
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccccn2)s1,0,0.0,
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCc3ccccc3C2)s1,0,2.0,
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCOC)s1,0,0.0,
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccccn2)s1,0,0.0,
+CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccco2)s1,0,6.0,
+CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCC1,0,1.0,
+CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCOCC1,0,3.0,
+CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1Cl,0,0.0,
+CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccn1,0,0.0,
+CCS(=O)(=O)c1nn2c(N)c(/C=C3/C=CC(=O)C(OC)=C3)c(=O)nc2s1,0,0.0,
+CCS(=O)(=O)c1nnnn1-c1ccccc1S(C)(=O)=O,0,0.0,
+CCS(=O)(=O)n1nc(-c2ccc(C)cc2)nc1N,0,5.0,
+CCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1N,0,1.0,
+CCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1SC,0,6.0,
+CCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1SCc1ccccc1,0,13.0,
+CCS(=O)(=O)n1nc(-c2ccc(OC)cc2)nc1N,0,0.0,
+CCS(=O)(=O)n1nc(-c2ccc(OC)cc2)nc1SC,0,3.0,
+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)nc1SC,0,2.0,
+CCS(=O)(=O)n1nc(-c2ccccc2)nc1SCc1ccccc1,1,28.0,0.0
+CCS(=O)(=O)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1,0,0.0,
+CCS(=O)(=O)n1nc(-c2ccco2)nc1N,0,1.0,
+CCS(=O)(=O)n1nc(-c2ccco2)nc1SC,0,11.0,
+CCS(=O)(=O)n1nc(C(=O)N2CCOCC2)nc1N,0,0.0,
+CCS(=O)(=O)n1nc(NCc2cccc(OC)c2)nc1NCc1cccc(OC)c1,0,3.0,
+CC[S+]([O-])CCSC(=N)N,0,0.0,
+CC[S+]([O-])CCSc1nc2ccccc2s1,0,5.0,
+CC[S+]([O-])c1ccccc1C(=O)O,0,0.0,
+CCS(CC)=NS(=O)(=O)c1ccc(NC(C)=O)cc1,0,4.0,
+CCS/C(N)=N/N=C/c1cc(C)ccc1O,0,0.0,
+CCSC(=Nc1ccccc1)C1=C(O)COC1=O,0,0.0,
+CCSC(=Nc1ccccc1)Nc1ccccc1,0,0.0,
+CCSC(=O)CCCCCCCCCCCO,0,0.0,
+CCSC(=O)N(CC)CC(=O)Nc1c(CC)cccc1CC,0,15.0,
+CCSC(=O)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+CCSC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,4.0,
+CCSC(C)CC1C/C(=N/O)c2c(C)noc2C1,0,4.0,
+CCSC(C)CC1C/C(=N/O)c2c(CC)noc2C1,0,6.0,
+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(F)cc3)C12C#N,0,0.0,
+CCSC1(SCC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=C(C)C12C#N,0,3.0,
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+CNC(=O)c1csc(-c2ccc(Cl)cc2)n1,0,0.0,
+CNC(=O)c1csc(-c2ccccc2)n1,0,0.0,
+CNC(=O)c1csc(-c2cccs2)n1,0,1.0,
+CNC(=O)c1csc(-c2ccncc2)n1,0,15.0,
+CNC(=O)c1nc(C)n(-c2cc(Cl)cc(Cl)c2)n1,0,4.0,
+CNC(=O)c1nc(C)n(-c2cc(Cl)ccc2Cl)n1,0,2.0,
+CNC(=O)c1nc(C)n(-c2ccc(Cl)cc2Cl)n1,0,3.0,
+CNC(=O)c1nc(C)n(-c2ccc([N+](=O)[O-])cc2)n1,0,0.0,
+CNC(=O)c1nc[nH]c1C(=O)NC,0,1.0,
+CNC(=O)c1ncnnc1N(C)C(=O)NCc1ccccc1,0,0.0,
+CNC(=O)c1nn(-c2ccc(C)cc2)ccc1=O,0,0.0,
+CNC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O,0,2.0,
+CNC(=O)c1nn(-c2ccccc2)ccc1=O,0,0.0,
+CNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1,0,9.0,
+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,0,3.0,
+CNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1,0,6.0,
+CNC(=O)c1nnsc1[S+]([O-])c1ccc(Cl)cc1,0,0.0,
+CNC(=O)c1oc(-c2ccc(Cl)cc2)nc1C,0,0.0,
+CNC(=O)c1oc(-c2ccccc2)nc1C,0,6.0,
+CNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C,0,0.0,
+CNC(=O)c1sc(-c2ccccc2)nc1C,0,0.0,
+CNC(=O)c1sc(-c2ccccn2)nc1C,0,2.0,
+CNC(=O)c1sc(-c2cccnc2)nc1C,0,5.0,
+CNC(=O)c1sc(-c2cccs2)nc1C,0,0.0,
+CNC(=O)c1sc(=S)n(-c2ccc(OC)cc2)c1N,0,2.0,
+CNC(=O)c1sc(N2N=C3/C(=C/c4ccccc4)CCCC3C2c2ccccc2)nc1C,0,0.0,
+CNC(=O)c1sc(Nc2cc(C)ccc2C)nc1C,0,0.0,
+CNC(=O)c1sc(SC)cc1-c1ccc(Cl)cc1,0,1.0,
+CNC(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C,0,4.0,
+CNC(=O)c1sccc1-n1cccc1,0,0.0,
+CNC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-],0,0.0,
+CNC(=O)c1sccc1S(=O)(=O)Cc1c(Cl)cccc1Cl,0,0.0,
+CNC(=O)c1sccc1SCc1c(Cl)cccc1Cl,0,2.0,
+CNC(=O)c1sccc1SCc1ccc(Cl)cc1Cl,0,7.0,
+CNC(=O)c1snnc1-c1ccccc1,0,5.0,
+CNC(=O)n1ccc(C(=O)N2CCCCC2)n1,0,0.0,
+CNC(=S)/N=C(/Nc1ccccc1)c1ccccc1,0,4.0,
+CNC(=S)/N=C/NOCc1c(Cl)cccc1Cl,0,9.0,
+CNC(=S)/N=C/NOCc1ccc(Cl)cc1Cl,0,2.0,
+CNC(=S)N(C)[C@H]1c2c(ccc3ccccc23)OC[C@H]1CO,0,0.0,
+CNC(=S)N(C)c1ccccc1,0,7.0,
+CNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1cc(OC)c(OC)c(OC)c1,0,1.0,
+CNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1ccc(OC)c(OC)c1,0,0.0,
+CNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1ccco1,0,0.0,
+CNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1cccs1,0,0.0,
+CNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc12)Cc1cc(OC)c(OC)c(OC)c1,0,0.0,
+CNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc12)Cc1cccs1,0,0.0,
+CNC(=S)N(CCc1c(C)[nH]c2ccc(OC)cc12)Cc1cc(OC)c(OC)c(OC)c1,0,0.0,
+CNC(=S)N(CCc1c(C)[nH]c2ccc(OC)cc12)Cc1cccnc1,0,0.0,
+CNC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1cc(OC)c(OC)c(OC)c1,0,0.0,
+CNC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1ccco1,0,0.0,
+CNC(=S)N(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O,0,0.0,
+CNC(=S)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC(=O)N(c2ccccc2F)C1=O,0,5.0,
+CNC(=S)N(CCc1cccc(C)c1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O,0,9.0,
+CNC(=S)N(CCc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O,0,4.0,
+CNC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1,0,0.0,
+CNC(=S)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1,0,0.0,
+CNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)CC1CCCO1,0,3.0,
+CNC(=S)N(Cc1ccc(OC)cc1)C1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O,0,4.0,
+CNC(=S)N(Cc1ccc(OC)cc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O,0,0.0,
+CNC(=S)N(Cc1ccc(OC)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O,0,1.0,
+CNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O,0,3.0,
+CNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O,0,0.0,
+CNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O,0,9.0,
+CNC(=S)N(Cc1ccc2c(c1)OCO2)C1CC(=O)N(c2ccc(F)cc2)C1=O,0,0.0,
+CNC(=S)N(Cc1ccc2c(c1)OCO2)C1CC(=O)N(c2ccccc2)C1=O,0,0.0,
+CNC(=S)N(Cc1ccco1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O,0,0.0,
+CNC(=S)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O,0,2.0,
+CNC(=S)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,0,0.0,
+CNC(=S)N(Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O,0,0.0,
+CNC(=S)N(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O,0,10.0,
+CNC(=S)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O,0,0.0,
+CNC(=S)N/N=C(\C)c1ccc(-n2ccnc2)cc1,0,1.0,
+CNC(=S)N/N=C(\C)c1ccc(C(C)(C)C)cc1,0,0.0,
+CNC(=S)N/N=C(\C)c1ccc(C)c(C)c1,0,1.0,
+CNC(=S)N/N=C(\C)c1ccc(Cl)c(Cl)c1,0,0.0,
+CNC(=S)N/N=C(\C)c1ccc(Cl)s1,0,0.0,
+CNC(=S)N/N=C(\C)c1ccc(N2CCOCC2)cc1,0,0.0,
+CNC(=S)N/N=C(\C)c1ccc2c(c1)OCCO2,0,0.0,
+CNC(=S)N/N=C(\C)c1ccc2c(c1)OCO2,0,0.0,
+CNC(=S)N/N=C(\C)c1cccc(C(F)(F)F)c1,0,2.0,
+CNC(=S)N/N=C(\C)c1cccc([N+](=O)[O-])c1,0,0.0,
+CNC(=S)N/N=C/C1=CCC2CC1C2(C)C,0,0.0,
+CNC(=S)N/N=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl,0,0.0,
+CNC(=S)N/N=C/c1c(C)nn(-c2cccc(Cl)c2)c1Cl,0,4.0,
+CNC(=S)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl,0,0.0,
+CNC(=S)N/N=C/c1c(Cl)cccc1Cl,0,1.0,
+CNC(=S)N/N=C/c1cc(Br)cc(Br)c1O,0,6.0,
+CNC(=S)N/N=C/c1cc(C)ccc1C,0,1.0,
+CNC(=S)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C,0,6.0,
+CNC(=S)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1,0,0.0,
+CNC(=S)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1,0,4.0,
+CNC(=S)N/N=C/c1ccc(C(C)C)cc1,0,0.0,
+CNC(=S)N/N=C/c1ccc(N2CCOCC2)s1,0,0.0,
+CNC(=S)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1,0,7.0,
+CNC(=S)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1,0,2.0,
+CNC(=S)N/N=C/c1ccc2c(c1)OCCO2,0,0.0,
+CNC(=S)N/N=C/c1cccc(OCc2ccccc2F)c1,0,1.0,
+CNC(=S)N/N=C/c1ccccc1Cl,0,4.0,
+CNC(=S)N/N=C/c1cn(CCOc2ccc(OC)cc2)c2ccccc12,0,3.0,
+CNC(=S)N/N=C/c1cn(CCOc2cccc(OC)c2)c2ccccc12,0,5.0,
+CNC(=S)N/N=C/c1cn(CCOc2ccccc2OC)c2ccccc12,0,0.0,
+CNC(=S)N/N=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12,0,0.0,
+CNC(=S)N/N=C/c1cn(Cc2ccc(C)cc2)c2ccccc12,0,5.0,
+CNC(=S)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12,0,2.0,
+CNC(=S)N/N=C1\C(=O)c2cccc3cccc1c23,0,0.0,
+CNC(=S)N/N=C1\C2CN3CCN(C2)CC1(c1ccccc1)C3,0,0.0,
+CNC(=S)N/N=C1\CC(c2ccccc2)Oc2ccccc21,0,8.0,
+CNC(=S)N1C2CCC1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2,0,2.0,
+CNC(=S)N1CC2CC(C1)c1cccc(=O)n1C2,0,0.0,
+CNC(=S)N1CCC(NC(=O)C(Cc2ccc(F)cc2)NC(C)=O)CC1,0,0.0,
+CNC(=S)N1CCC(NC(=O)C(Cc2ccccc2)NC(C)=O)CC1,0,0.0,
+CNC(=S)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1,0,3.0,
+CNC(=S)N1CCC(c2nc3ccccc3s2)CC1,0,5.0,
+CNC(=S)N1CCC(n2cnc3ccccc32)CC1,0,0.0,
+CNC(=S)N1CCN(C(=O)C2CCCO2)CC1,0,0.0,
+CNC(=S)N1CCN(C(=O)c2ccco2)CC1,0,6.0,
+CNC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0.0,
+CNC(=S)N1CCN(CCNC2=CC(=O)CC(C)(C)C2)CC1,0,4.0,
+CNC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0.0,
+CNC(=S)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1C,0,0.0,
+CNC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+CNC(=S)N1CCN(c2ccc(OC)cc2)CC1,0,0.0,
+CNC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,0,3.0,
+CNC(=S)N1CCN(c2cccc(OC)c2)CC1,0,0.0,
+CNC(=S)N1CCN(c2ccccc2OC)CC1,0,0.0,
+CNC(=S)N1CCN(c2ccccn2)CC1,0,0.0,
+CNC(=S)N1CCN(c2nc3ccccc3s2)CC1,0,5.0,
+CNC(=S)N1CCN=C1Nc1nc(C)cc(C)n1,0,3.0,
+CNC(=S)N1CCc2cc(OC)c(OC)cc2C1COc1ccc(F)cc1,0,0.0,
+CNC(=S)N1CCc2cc(OC)c(OC)cc2C1COc1ccc(OC)cc1,0,7.0,
+CNC(=S)N1CCc2ccccc2C1,0,0.0,
+CNC(=S)N1CCn2cccc2C1c1cc(OC)c(OC)c(OC)c1,0,0.0,
+CNC(=S)N1CCn2cccc2C1c1ccc(F)cc1,0,1.0,
+CNC(=S)N1CCn2cccc2C1c1cccnc1,0,0.0,
+CNC(=S)N1N=C(c2ccc(Br)cc2)CC1c1ccc(Br)cc1,0,5.0,
+CNC(=S)N1N=C(c2ccc(Br)cc2)CC1c1ccc(N(C)C)cc1,0,0.0,
+CNC(=S)N1N=C(c2ccc(Br)cc2)CC1c1ccc(OC)cc1,0,7.0,
+CNC(=S)N1N=C(c2ccc(C)cc2)CC1c1cc(OC)ccc1OC,0,17.0,
+CNC(=S)N1N=C(c2ccc(C)cc2)CC1c1ccc(Br)cc1,0,7.0,
+CNC(=S)N1N=C(c2ccc(C)cc2)CC1c1ccc(Cl)cc1,0,14.0,
+CNC(=S)N1N=C(c2ccc(C)cc2)CC1c1ccc(N(C)C)cc1,0,2.0,
+CNC(=S)N1N=C(c2ccc(C)cc2)CC1c1ccc(OC)c(OC)c1,0,1.0,
+CNC(=S)N1N=C(c2ccc(C)cc2)CC1c1ccc(OC)cc1,0,1.0,
+CNC(=S)N1N=C(c2ccc(OC)cc2)CC1c1ccc(Cl)cc1Cl,0,7.0,
+CNC(=S)N1N=C(c2ccc(OC)cc2)CC1c1ccc(N(C)C)cc1,0,17.0,
+CNC(=S)N1N=C(c2ccccc2)CC1c1ccc(Br)cc1,0,14.0,
+CNC(=S)N1N=C(c2ccccc2)CC1c1ccc(OC)c(OC)c1,0,0.0,
+CNC(=S)N1N=C(c2ccccc2)CC1c1ccccc1Cl,0,0.0,
+CNC(=S)N=Nc1c(O)[nH]c2ccc(C(C)C)cc12,0,0.0,
+CNC(=S)N=Nc1c(O)[nH]c2ccccc12,0,0.0,
+CNC(=S)NC(CC(=O)OC)c1ccc2c(c1)OCO2,0,1.0,
+CNC(=S)NC12CC3CC(CC(C3)C1)C2,0,2.0,
+CNC(=S)NC1CC2CCC(C1)N2Cc1ccccc1,0,1.0,
+CNC(=S)NC1CC2CCCC(C1)N2CC(C)C,0,1.0,
+CNC(=S)NC1CC2CCCC(C1)N2Cc1ccc(C)cc1,0,3.0,
+CNC(=S)NC1CC2CCCC(C1)N2Cc1ccco1,0,2.0,
+CNC(=S)NCC(O)c1ccc([N+](=O)[O-])cc1,0,0.0,
+CNC(=S)NCCC(c1ccccc1)c1ccccc1,0,0.0,
+CNC(=S)NCCCc1ccccc1,0,9.0,
+CNC(=S)NCCN1CCOCC1,0,2.0,
+CNC(=S)NCCc1c[nH]c2ccc(OC)cc12,0,1.0,
+CNC(=S)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O,0,3.0,
+CNC(=S)NCCc1ccc(OC)c(OC)c1,0,2.0,
+CNC(=S)NCCc1ccc(OC)cc1,0,5.0,
+CNC(=S)NCc1ccc(Cl)cc1,0,2.0,
+CNC(=S)NCc1ccc(OC)cc1,0,0.0,
+CNC(=S)NCc1ccc2[nH]c(C)cc2c1,0,2.0,
+CNC(=S)NCc1ccc2[nH]c3c(c2c1)CCCC3,0,0.0,
+CNC(=S)NN(C)c1nc(C)cc(C)n1,0,1.0,
+CNC(=S)NN(c1ccccc1)c1ccccc1,0,0.0,
+CNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C,0,6.0,
+CNC(=S)NNC(=O)CNc1ccc(C)c(Cl)c1,0,7.0,
+CNC(=S)NNC(=O)COc1ccc(C)c(C)c1,0,0.0,
+CNC(=S)NNC(=O)COc1cccc(C)c1C,0,6.0,
+CNC(=S)NNC(=O)COc1ccccc1C,0,2.0,
+CNC(=S)NNC(=O)Cc1ccc(O)cc1,0,4.0,
+CNC(=S)NNC(=O)Cc1ccc(OC)c(OC)c1,0,0.0,
+CNC(=S)NNC(=O)Cc1ccccc1,0,0.0,
+CNC(=S)NNC(=O)Cn1ccc(C)n1,0,0.0,
+CNC(=S)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1,0,3.0,
+CNC(=S)NNC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1,0,0.0,
+CNC(=S)NNC(=O)c1ccc2c(c1)OCO2,0,0.0,
+CNC(=S)NNC(=O)c1cccc(C(F)(F)F)c1,0,0.0,
+CNC(=S)NNC(=O)c1cccc(N(C)C)c1,0,0.0,
+CNC(=S)NNC(=O)c1ccccc1Br,0,0.0,
+CNC(=S)NNC(=O)c1ccccc1F,0,3.0,
+CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O,0,6.0,
+CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O,0,0.0,
+CNC(=S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O,0,0.0,
+CNC(=S)NNC(=O)c1cccn(Cc2ccccc2)c1=O,0,3.0,
+CNC(=S)NNC(=O)c1cn(C)nc1C,0,5.0,
+CNC(=S)NNC(=O)c1noc(C)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,1.0,
+CNC(=S)NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1,0,3.0,
+CNC(=S)NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccnc1,0,1.0,
+CNC(=S)NNC(=O)c1sccc1C,0,0.0,
+CNC(=S)NNC(=O)c1sccc1OCc1ccc(C)cc1,0,2.0,
+CNC(=S)NNC(=O)c1sccc1OCc1ccc(Cl)cc1Cl,0,0.0,
+CNC(=S)NNC(=O)c1sccc1OCc1cccc(C(F)(F)F)c1,0,0.0,
+CNC(=S)NNC(=O)c1sccc1OCc1ccccc1,0,0.0,
+CNC(=S)NNS(=O)(=O)c1ccc(OC)cc1OC,0,0.0,
+CNC(=S)NNc1ccccc1[N+](=O)[O-],0,6.0,
+CNC(=S)NNc1nc(C)cc(C)n1,0,4.0,
+CNC(=S)NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,9.0,
+CNC(=S)NNc1nncc2ccccc12,0,0.0,
+CNC(=S)Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1,0,0.0,
+CNC(=S)Nc1cc(C(F)(F)F)ccc1Cl,0,5.0,
+CNC(=S)Nc1cc(C)ccc1OC(F)F,0,0.0,
+CNC(=S)Nc1cc(Cl)ccc1Oc1ccccc1,0,0.0,
+CNC(=S)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC,0,0.0,
+CNC(=S)Nc1cc(OC)ccc1OC,0,4.0,
+CNC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1,0,0.0,
+CNC(=S)Nc1ccc(Br)cc1,0,4.0,
+CNC(=S)Nc1ccc(C(N)=O)cc1,0,1.0,
+CNC(=S)Nc1ccc(C)c(NC(=S)NC)c1,0,0.0,
+CNC(=S)Nc1ccc(C)cc1,0,0.0,
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+COC(=O)C1=C(C)C(c2cccs2)NC(=O)N1C,0,1.0,
+COC(=O)C1=C(C)N(C(C)C)C(=O)C1(NC(=O)C1CCCCC1)C(F)(F)F,0,0.0,
+COC(=O)C1=C(C)N(C(C)C)C(=O)C1(NC(C)=O)C(F)(F)F,0,1.0,
+COC(=O)C1=C(C)N(C(C)c2ccccc2)C(=O)/C1=C\c1ccco1,0,12.0,
+COC(=O)C1=C(C)N(C(C)c2ccccc2)C(=O)C1,0,2.0,
+COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccco1,0,0.0,
+COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cccs1,0,0.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)c(O)c(OC)c1,0,11.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)cc(Cl)c1OC,0,6.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1cc2c(cc1[N+](=O)[O-])OCO2,0,7.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(C)cc1,0,8.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(O)c(Cl)c1,0,0.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(O)c(OC)c1,0,7.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc([N+](=O)[O-])o1,0,0.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1,0,0.0,
+COC(=O)C1=C(C)N(C)C(=O)NC1c1ccsc1,0,0.0,
+COC(=O)C1=C(C)N(C)C(=S)N(C)C1c1ccc(OC)cc1,0,0.0,
+COC(=O)C1=C(C)N(C)C(=S)N(C)C1c1cccc(Br)c1,0,8.0,
+COC(=O)C1=C(C)N(C)C(=S)NC1c1c(OC)ccc2ccccc12,0,0.0,
+COC(=O)C1=C(C)N(C)C(=S)NC1c1cc(OC)ccc1OC,0,0.0,
+COC(=O)C1=C(C)N(C)C(=S)NC1c1ccc(Cl)cc1,0,4.0,
+COC(=O)C1=C(C)N(C)C(=S)NC1c1ccc(OC)cc1OC,0,2.0,
+COC(=O)C1=C(C)N(C)C(=S)NC1c1ccccc1,0,0.0,
+COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C(=O)OC)cc1,0,13.0,
+COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(Cl)cc1,0,9.0,
+COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(F)c(Br)c1,0,18.0,
+COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccc(Br)c1,0,10.0,
+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)C1c1ccccn1,0,1.0,
+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(C2CCCC2)C(=O)C1(NC(C)=O)C(F)(F)F,0,1.0,
+COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccs1,0,0.0,
+COC(=O)C1=C(C)N(C2CCCCC2)C(=O)C1,0,1.0,
+COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccs1,0,8.0,
+COC(=O)C1=C(C)N(CC(C)C)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccc(Br)cc1,0,13.0,
+COC(=O)C1=C(C)N(CC2CCCO2)C(=O)/C1=C\c1ccc(O)cc1,0,1.0,
+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(CCCC(=O)O)C(=O)NC1c1cc2c(cc1[N+](=O)[O-])OCO2,0,1.0,
+COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1ccc(-c2ccccc2)cc1,0,0.0,
+COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1cccs1,0,3.0,
+COC(=O)C1=C(C)N(CCc2c[nH]c3ccc(OC)cc23)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\N(C)C,0,6.0,
+COC(=O)C1=C(C)N(CCc2c[nH]c3ccccc23)C(=O)C1,0,7.0,
+COC(=O)C1=C(C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1ccc(Br)cc1,0,0.0,
+COC(=O)C1=C(C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1cccs1,0,0.0,
+COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\N(C)C,0,0.0,
+COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(O)cc1,0,1.0,
+COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)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=C\c1ccco1,0,5.0,
+COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)C1(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(F)(F)F,0,2.0,
+COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1,0,12.0,
+COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1,0,4.0,
+COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C1,0,7.0,
+COC(=O)C1=C(C)N(Cc2ccc(OC)c(OC)c2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(Cc2ccc3c(c2)OCO3)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1,0,0.0,
+COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccs1,0,0.0,
+COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1sccc1C,0,7.0,
+COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)C1,0,1.0,
+COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(N(C)C)cc1,0,0.0,
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+COC(=O)C1=C(C)N(Cc2ccco2)C(=O)N[C@H]1c1ccc(Br)cc1,0,3.0,
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+COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2ccco2)C1=O,0,0.0,
+COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)C1,0,5.0,
+COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccco1,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)C1,0,1.0,
+COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccc(O)cc2)C1=O,0,2.0,
+COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccco2)C1=O,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2cccs2)C1=O,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)C1=O,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(O)cc2)C1=O,0,2.0,
+COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2cccs2)C1=O,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1,0,9.0,
+COC(=O)C1=C(C)N(c2ccc(Cl)cc2)/C(=C/c2ccc(O)cc2)C1=O,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(Cl)cc2)/C(=C/c2cccs2)C1=O,0,1.0,
+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(=C/c2ccc(O)cc2)C1=O,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C1,0,10.0,
+COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccco1,0,6.0,
+COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccs1,0,9.0,
+COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)C1,0,3.0,
+COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccs1,0,0.0,
+COC(=O)C1=C(C)N(c2ccc(S(N)(=O)=O)cc2)C(=O)C1,0,3.0,
+COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1,0,0.0,
+COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccs1,0,0.0,
+COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1,0,3.0,
+COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccco1,0,3.0,
+COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)C1,0,6.0,
+COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2cccs2)C1=O,0,0.0,
+COC(=O)C1=C(C)N(c2ccccc2)C(=S)NC1c1ccccc1C(F)(F)F,0,0.0,
+COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2C1c1cc(OC)c(OC)c(OC)c1,0,1.0,
+COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2C1c1ccc(OC)cc1,0,1.0,
+COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2C1c1ccc(OCc2ccccc2)cc1,0,0.0,
+COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2C1c1cccc(OC)c1,0,0.0,
+COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1/C=C/c1ccccc1,0,4.0,
+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,
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+COC(=O)C1=C(C)N=C2SCCC(=O)N2C1/C=C/c1ccccc1,0,6.0,
+COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(Br)ccc1OC,0,4.0,
+COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(C(=O)OC)cc1,0,0.0,
+COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(OC(=O)c2ccco2)cc1,0,0.0,
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+COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2C1c1cccs1,0,0.0,
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+COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1,0,0.0,
+COC(=O)C1=C(C)NC(=O)/C1=C\N(C)C,0,0.0,
+COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C,0,1.0,
+COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C,0,0.0,
+COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C,0,0.0,
+COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C,0,2.0,
+COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C,0,0.0,
+COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C,0,0.0,
+COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C,0,0.0,
+COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc2c(c1)OCO2,0,0.0,
+COC(=O)C1=C(C)NC(=O)/C1=C\c1ccco1,0,0.0,
+COC(=O)C1=C(C)NC(=O)/C1=C\c1cccs1,0,0.0,
+COC(=O)C1=C(C)NC(=O)C1(NC(=O)CN1CCCC1=O)C(F)(F)F,0,2.0,
+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(NC(=O)c1ccncc1)C(F)(F)F,0,1.0,
+COC(=O)C1=C(C)NC(=O)C1(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F,0,4.0,
+COC(=O)C1=C(C)NC(=O)C1(NS(=O)(=O)c1ccc(NC(C)=O)cc1)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)cc1,0,5.0,
+COC(=O)C1=C(C)NC(=O)CC1c1ccc(F)c(Br)c1,0,1.0,
+COC(=O)C1=C(C)NC(=O)CC1c1cccc(Cl)c1Cl,0,0.0,
+COC(=O)C1=C(C)NC(=O)CC1c1cccc(OC)c1OC,0,4.0,
+COC(=O)C1=C(C)NC(=O)CC1c1ccccc1,0,0.0,
+COC(=O)C1=C(C)NC(=O)CC1c1ccccc1F,0,1.0,
+COC(=O)C1=C(C)NC(=O)CC1c1ccccc1OC,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=CCC1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)ccc1OC,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2ccc(Cl)cc2)o1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2ccc(F)cc2)o1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2ccccc2Cl)o1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1ccc(N2CCC(c3ccccc3)=N2)cc1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(=O)c2ccco2)cc1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)N2CCCCC2)cc1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])o1,0,8.0,
+COC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OCc1ccccc1,0,1.0,
+COC(=O)C1=C(C)NC(=O)NC1c1ccccc1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1ccco1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1ccsc1,0,0.0,
+COC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1,0,1.0,
+COC(=O)C1=C(C)NC(=S)N(C(C)=O)C1c1ccc(OC)c(OC)c1,0,4.0,
+COC(=O)C1=C(C)NC(=S)N(C(C)=O)C1c1ccccc1,0,0.0,
+COC(=O)C1=C(C)NC(=S)NC1/C=C/c1ccccc1,0,14.0,
+COC(=O)C1=C(C)NC(=S)NC1c1ccc(-c2cccc(Cl)c2)o1,0,0.0,
+COC(=O)C1=C(C)NC(=S)NC1c1ccc(-c2ccccc2C(=O)OC)o1,0,2.0,
+COC(=O)C1=C(C)NC(=S)NC1c1ccc(OC(=O)c2ccco2)cc1,0,0.0,
+COC(=O)C1=C(C)NC(=S)NC1c1ccco1,0,3.0,
+COC(=O)C1=C(C)NC(=S)NC1c1sccc1C,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C/c1ccccc1,0,10.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OC(C)C(=O)c1ccccc1,0,1.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OC1CCCCC1=O,0,6.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)N1c2ccccc2CC1C,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)c1ccc(F)cc1,0,3.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCCN1C(=O)c2ccccc2C1=O,0,3.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1CC=CCC1,0,3.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2cc(C)ccc2[nH]c1=O,0,9.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2ccc(C)cc2[nH]c1=O,0,7.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2cc(Cl)ccc2Cl)o1,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2cccc(Cl)c2Cl)o1,0,6.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(N(C)C)cc1,0,2.0,
+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)C1c1ccc(OC(=O)c2oc3ccccc3c2C)c(OC)c1,0,5.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2ccccc2n1,0,0.0,
+COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,0,0.0,
+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-],0,1.0,
+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)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,0,0.0,
+COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])C1c1ccccc1C(F)(F)F,0,0.0,
+COC(=O)C1=C(C)NC(c2c(O)ccc3ccccc23)C(C(=O)OC)=C1C,0,0.0,
+COC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(c3ccc(OC)cc3)C2)C1c1ccccn1,0,2.0,
+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(C)(C)C2)C1c1ccccn1,0,5.0,
+COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccsc1,0,0.0,
+COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1,0,9.0,
+COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cnn(C)c1C,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)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)C1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1,0,15.0,
+COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1,1,64.0,
+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)NC2=C(C1c1ccc(O)cc1)S(=O)(=O)c1ccccc12,0,4.0,
+COC(=O)C1=C(C)NC=C([N+](=O)[O-])C1c1ccc(OC)cc1,0,0.0,
+COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2C1c1ccc(OC)cc1,0,0.0,
+COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccc(C)cc1,0,5.0,
+COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccc(Cl)cc1,0,0.0,
+COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1cccnc1,0,0.0,
+COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1cccs1,0,0.0,
+COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccncc1,0,0.0,
+COC(=O)C1=C(C)Nc2ccc(C)cc2S1,0,5.0,
+COC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2C1c1ccc(C)o1,0,1.0,
+COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2C1c1cccs1,0,1.0,
+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)Nc2ncnn2C1c1ccccn1,0,5.0,
+COC(=O)C1=C(C)Nc2ncnn2C1c1cccnc1,0,1.0,
+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)Nc2nnnn2C1c1ccccc1Cl,0,0.0,
+COC(=O)C1=C(C)Nc2nnnn2C1c1cccnc1,0,0.0,
+COC(=O)C1=C(C)Nc2nnnn2C1c1ccco1,0,3.0,
+COC(=O)C1=C(C)Nc2nnnn2C1c1cccs1,0,2.0,
+COC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2C1c1ccncc1,0,3.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C12C(=O)Nc1ccccc12,0,0.0,
+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)C1c1c(C)nn(C)c1C,0,0.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(C)sc1C,0,2.0,
+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)C1c1cc2cc(C)ccc2nc1Cl,0,0.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2cccc(C)c2nc1Cl,0,0.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)c(CSc2ccccn2)c1,0,0.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)c(OC)c1OC,0,5.0,
+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)OC(N)=C(C#N)C1c1cccnc1,0,3.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccco1,0,0.0,
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccsc1,0,4.0,
+COC(=O)C1=C(C)n2cnnc2NC1c1ccc(Cl)cc1,0,9.0,
+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(CN2CCN(C)CC2)NC(=O)NC1c1cc(C)ccc1C,0,3.0,
+COC(=O)C1=C(CN2CCSCC2)NC(=O)NC1c1cc(C)ccc1C,0,6.0,
+COC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+COC(=O)C1=C(COc2ccc(C=O)cc2OC)NC(=O)NC1c1cc(C)ccc1C,0,7.0,
+COC(=O)C1=C(COc2ccc(F)cc2)NC(=O)NC1c1ccc(C)cc1C,0,3.0,
+COC(=O)C1=C(COc2ccccc2)NC(=O)NC1c1ccc(Br)cc1,0,3.0,
+COC(=O)C1=C(CSCc2ccccc2)NC(=O)NC1c1cc(C)ccc1C,0,3.0,
+COC(=O)C1=C(CSCc2ccco2)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)C1c1ccc(F)cc1,0,0.0,
+COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)C1c1ccccc1F,0,0.0,
+COC(=O)C1=C(CSc2nc3ccccc3o2)NC(=O)NC1c1cc(C)ccc1C,0,2.0,
+COC(=O)C1=C(CSc2nc3ccccc3s2)NC(=O)NC1c1ccc(F)cc1,0,0.0,
+COC(=O)C1=C(CSc2nccn2C)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(CSc2nncn2C)NC(=O)NC1c1ccc(F)cc1,0,1.0,
+COC(=O)C1=C(CSc2nnnn2C)NC(=O)NC1c1cc(C)ccc1C,0,0.0,
+COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,0,12.0,
+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)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)C1c1ccc2c(c1)OCO2,0,0.0,
+COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)CC(C)(C)C2)C1c1ccc(OC)c(OC)c1,0,0.0,
+COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1OC,0,0.0,
+COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1OCC#N,0,0.0,
+COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1,0,3.0,
+COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccs1,0,1.0,
+COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccoc1,0,5.0,
+COC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1cccnc1,0,0.0,
+COC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1cccs1,0,0.0,
+COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1cccnc1,0,0.0,
+COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(C)c1ccccc12,0,0.0,
+COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c1c(F)cccc1Cl,0,4.0,
+COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c1ccccc1F,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)c2C1c1cccnc1,0,11.0,
+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)cc1,0,3.0,
+COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccc(Cl)c(Cl)c1,0,0.0,
+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)c2C1c1ccccc1Cl,0,3.0,
+COC(=O)C1=C(N)Oc2cc(C)n(CCN3CCOCC3)c(=O)c2C1c1cccnc1,0,5.0,
+COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2C1c1cccnc1,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2C1c1ccccc1,0,11.0,
+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,0,8.0,
+COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1cccc(OC)c1OC,0,4.0,
+COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1ccccc1OC,0,2.0,
+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)c2C12C(=O)Nc1ccccc12,0,0.0,
+COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1cccnc1,0,1.0,
+COC(=O)C1=C(N)Oc2cc(N(C)C)ccc2C1c1ccccc1OC,0,0.0,
+COC(=O)C1=C(N)c2c(F)cccc2C1(C#N)c1ccc(F)cc1,0,6.0,
+COC(=O)C1=C(N)c2c(F)cccc2C1(C#N)c1ccccc1,0,8.0,
+COC(=O)C1=C(N)c2ccccc2C1(C#N)c1ccccc1,0,0.0,
+COC(=O)C1=C(N)n2c(s/c(=C\c3cccnc3)c2=O)=C(C(=O)OC)C1c1cccnc1,0,3.0,
+COC(=O)C1=C(NC(=O)C(C)(C)C)CCS1,0,0.0,
+COC(=O)C1=C(NC(=O)C2CCCCC2)CCS1,0,0.0,
+COC(=O)C1=C(NC(=O)CCCCl)CCS1,0,0.0,
+COC(=O)C1=C(NC(=O)COc2ccc(Cl)cc2Cl)CCS1,0,0.0,
+COC(=O)C1=C(NC(=O)COc2ccc3ccccc3c2)CCS1,0,0.0,
+COC(=O)C1=C(NC(=O)c2ccc(Br)cc2)CCS1,0,11.0,
+COC(=O)C1=C(NC(=O)c2ccc(C)c(C)c2)CCS1,0,10.0,
+COC(=O)C1=C(NC(=O)c2ccc(C)cc2)CCS1,0,0.0,
+COC(=O)C1=C(NC(=O)c2cccc(OC)c2)CCS1,0,4.0,
+COC(=O)C1=C(NC(=O)c2ccccc2C)CCS1,0,9.0,
+COC(=O)C1=C(NC(=O)c2ccccc2[N+](=O)[O-])CCS1,0,0.0,
+COC(=O)C1=C(NC(=O)c2cccs2)CCS1,0,0.0,
+COC(=O)C1=C(NC(C)=O)CCS1,0,0.0,
+COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)C(C(=O)OC)C1c1ccc(F)cc1,1,32.0,0.0
+COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)C(C(=O)OC)C1c1ccc(OC)cc1,1,29.0,
+COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)C(C(=O)OC)C1c1cccc(OC)c1,1,24.0,0.0
+COC(=O)C1=C(Nc2ccc(OC)cc2)C=C(C)C(C(=O)OC)C1c1ccc(C)cc1,0,14.0,
+COC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)N=C1C,0,0.0,
+COC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccccc3C)c2C)N=C1C,0,0.0,
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+COc1ccc(Br)cc1CNn1cn[nH]c1=S,0,5.0,
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+COc1ccc2c(c1)C(=O)[C@@H](O)[C@H](c1ccc(OC)c(Br)c1)O2,0,0.0,
+COc1ccc2c(c1)C(=O)[C@@H](OC(=O)NCc1ccc3c(c1)OCO3)[C@H](c1ccc(OC)c(Br)c1)O2,0,0.0,
+COc1ccc2c(c1)C(=O)[C@H](O)[C@@H](c1ccc(OC)c(Br)c1)O2,0,0.0,
+COc1ccc2c(c1)C(=O)c1ccccc1CO2,0,0.0,
+COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C(C)N1C(=O)c2ccccc2C1=O,0,10.0,
+COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1C(=O)CCC1=O,0,0.0,
+COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CNCc1ccc2c(c1)OCO2,1,27.0,
+COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(-c2ccc(C)cc2)o1,1,23.0,0.0
+COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccccc1,0,13.0,
+COc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(Br)cc1,1,55.0,1.0
+COc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(C)cc1,1,36.0,0.0
+COc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)CSc1nc2ccccc2s1,1,35.0,
+COc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)CSc1ncn[nH]1,0,6.0,
+COc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)NC1CCCCC1,0,5.0,
+COc1ccc2c(c1)C(C1=C(O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2,0,0.0,
+COc1ccc2c(c1)C(C1C(=O)CCCC1=O)c1ccccc1O2,0,0.0,
+COc1ccc2c(c1)C(C1CCN(C)CC1)Oc1ccccc1S2,0,3.0,
+COc1ccc2c(c1)C(NC(=O)C(F)(F)F)CC2=O,0,0.0,
+COc1ccc2c(c1)C(NC(C)=O)C(=O)N2C,0,0.0,
+COc1ccc2c(c1)C(NC(C)=O)C(=O)N2CCc1ccccc1,0,2.0,
+COc1ccc2c(c1)C(SCC(=O)NCCc1ccc(Cl)cc1)CC(C)(C)O2,0,2.0,
+COc1ccc2c(c1)C(SCC(=O)NCCc1ccccc1)CC(C)(C)O2,0,5.0,
+COc1ccc2c(c1)C(SCC(=O)NCc1ccccc1)CC(C)(C)O2,0,0.0,
+COc1ccc2c(c1)C(c1ccc(C)o1)=NNC(c1ccccc1)=N2,0,0.0,
+COc1ccc2c(c1)C(c1ccc(C)o1)=NNC(c1cccnc1)=N2,0,0.0,
+COc1ccc2c(c1)C(c1ccc(N3CCOCC3)cc1)=NNC(c1cccnc1)=N2,0,0.0,
+COc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccco1)=N2,0,2.0,
+COc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccco1)=N2,0,4.0,
+COc1ccc2c(c1)C(c1cccs1)=NNC(c1cccnc1)=N2,0,6.0,
+COc1ccc2c(c1)C(c1cccs1)=NNC(c1ccncc1)=N2,0,0.0,
+COc1ccc2c(c1)C1(C)CC(C)(C)N2C(=O)N1c1ccccc1,0,0.0,
+COc1ccc2c(c1)C1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2,0,2.0,
+COc1ccc2c(c1)C1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2C,0,6.0,
+COc1ccc2c(c1)C1(Nc3ccccc3C(=O)N1c1ccccc1)C(=O)N2,0,0.0,
+COc1ccc2c(c1)C1=C(CC2)C(c2ccc(C)cc2)NC(=S)N1,0,0.0,
+COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)C(c3ccc(F)cc3)C1CC2,0,7.0,
+COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)C(c3cccc(F)c3)C1CC2,0,0.0,
+COc1ccc2c(c1)C1=NN(/C(C)=C\C(C)=O)C(c3ccccc3)C1CC2,0,4.0,
+COc1ccc2c(c1)C1C=CCC1C(c1cc3c(cc1Br)OCO3)N2,0,1.0,
+COc1ccc2c(c1)C1CC(C)(NC(=O)C1C(=O)c1ccccc1)O2,0,0.0,
+COc1ccc2c(c1)C1CC(C)(NC(=O)C1S(=O)(=O)c1ccc(F)cc1)O2,0,1.0,
+COc1ccc2c(c1)C1NC(=S)NC(C)(O2)C1C(=O)Nc1ccc(C)cc1C,0,3.0,
+COc1ccc2c(c1)C1NC(=S)NC(C)(O2)C1C(=O)Nc1ccc(Cl)cc1,0,0.0,
+COc1ccc2c(c1)C1NC(=S)NC(C)(O2)C1C(=O)Nc1ccccc1C,0,0.0,
+COc1ccc2c(c1)C1NC(=S)N[C@@](C)(O2)C1C(=O)Nc1ccccc1,0,0.0,
+COc1ccc2c(c1)C=C(C(=O)NCc1ccc(Cl)cc1)CO2,0,6.0,
+COc1ccc2c(c1)C=C(C(=O)OCc1cccnc1)CO2,0,12.0,
+COc1ccc2c(c1)C=C(CN1CCC(CO)(CCc3ccccc3)CC1)CO2,0,16.0,
+COc1ccc2c(c1)C=C(CN1CCN(C(C)C)C(CCO)C1)CO2,0,2.0,
+COc1ccc2c(c1)C=C(CN1CCN(C3CCCC3)C(CCO)C1)CO2,0,8.0,
+COc1ccc2c(c1)C=C([C@@H]1C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN14)CO2,0,18.0,
+COc1ccc2c(c1)C=CC1(O2)N(CCO)c2ccccc2C1(C)C,0,1.0,
+COc1ccc2c(c1)CC(=O)NC=C2,0,0.0,
+COc1ccc2c(c1)CC(C)C/C2=N\NC(=O)c1ccco1,0,5.0,
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+COc1ccc2c(c1)CC/C(=C/c1cc(OC)c(OC)c(OC)c1)C2=O,0,8.0,
+COc1ccc2c(c1)CC/C(=C/c1ccco1)C2=O,0,7.0,
+COc1ccc2c(c1)CC/C(=C/c1ccncc1)C2=O,0,0.0,
+COc1ccc2c(c1)CC/C(=C\C=C\c1ccccc1)C2=O,0,7.0,
+COc1ccc2c(c1)CC/C(=C\C=C\c1ccccc1OC)C2=O,0,8.0,
+COc1ccc2c(c1)CC/C(=C\Nc1ccc3c(c1)OCO3)C2=O,0,16.0,
+COc1ccc2c(c1)CC/C(=C\c1ccc(OC)c(Cn3cccn3)c1)C2=O,0,5.0,
+COc1ccc2c(c1)CC/C(=C\c1ccc(OC)c(Cn3nc(C)cc3C)c1)C2=O,0,10.0,
+COc1ccc2c(c1)CC/C2=N\NC(=O)c1ccccc1,0,7.0,
+COc1ccc2c(c1)CC/C2=N\OC(=O)c1cccc(C)c1,0,18.0,
+COc1ccc2c(c1)CC/C2=N\OC(=O)c1ccccc1C,0,16.0,
+COc1ccc2c(c1)CC/C2=N\OC(=O)c1ccccc1OC,0,2.0,
+COc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(CCc2ccccc2)C1=O,0,2.0,
+COc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(C)cc2)C1=O,0,3.0,
+COc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(F)cc2)C1=O,0,9.0,
+COc1ccc2c(c1)CCC(C)N2S(=O)(=O)c1ccc(C2CNC(=O)C2)cc1,0,0.0,
+COc1ccc2c(c1)CCC/C2=N/OC(=O)c1ccccc1OC,0,2.0,
+COc1ccc2c(c1)CCC/C2=N\NC(=O)c1ccoc1C,0,3.0,
+COc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccccc1F,0,0.0,
+COc1ccc2c(c1)CCC1=C2NC(=S)NC1c1ccc(N(C)C)cc1,0,1.0,
+COc1ccc2c(c1)CCC1C2=NN(/C(C)=C/C(C)=O)C1c1cccc(F)c1,0,1.0,
+COc1ccc2c(c1)CCC1C2=NN(/C(C)=C\C(C)=O)C1c1ccc(F)cc1,0,1.0,
+COc1ccc2c(c1)CCCC21NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O,0,0.0,
+COc1ccc2c(c1)CCCC21NC(=O)N(CC(N)=O)C1=O,0,6.0,
+COc1ccc2c(c1)CCCC21NC(=O)NC1=O,0,1.0,
+COc1ccc2c(c1)CCCC21SC(NC(C)=O)=NN1C(C)=O,0,0.0,
+COc1ccc2c(c1)CCCN2C(N)=O,0,1.0,
+COc1ccc2c(c1)CCN(C(=O)CCl)C2C1C(=O)CCCC1=O,0,0.0,
+COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1,0,0.0,
+COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0,9.0,
+COc1ccc2c(c1)CCc1c(C(=O)N(C)c3ccccc3)noc1-2,0,6.0,
+COc1ccc2c(c1)CCc1c(C(=O)N3CC4(C)CC3CC(C)(C)C4)noc1-2,0,5.0,
+COc1ccc2c(c1)CCc1c(C(=O)N3CCCC3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)N3CCCCCC3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)N3CCCc4ccccc43)noc1-2,0,7.0,
+COc1ccc2c(c1)CCc1c(C(=O)N3CCOCC3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)N3CCc4ccccc4C3)noc1-2,0,11.0,
+COc1ccc2c(c1)CCc1c(C(=O)NC3CCCCC3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCC(C)C)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCCCn3ccnc3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCCN3CCOCC3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCCc3ccc(OC)c(OC)c3)noc1-2,0,6.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCc3ccc(Cl)cc3)noc1-2,0,5.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCc3ccc(F)cc3)noc1-2,0,10.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCc3cccnc3)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)NCc3ccco3)noc1-2,0,4.0,
+COc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)noc1-2,0,0.0,
+COc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)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)Nc3ccc(OC)c(OC)c3)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)CCc1cn3nc(C)cc3nc1-2,0,3.0,
+COc1ccc2c(c1)CCc1cn3ncc(C#N)c3nc1-2,0,3.0,
+COc1ccc2c(c1)CCc1cnc(N)nc1-2,0,1.0,
+COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(C)cc3)nc1-2,0,0.0,
+COc1ccc2c(c1)CCc1sc(NC(=O)c3ccco3)nc1-2,0,0.0,
+COc1ccc2c(c1)Cc1sc(NC(=O)c3ccccc3)nc1-2,0,0.0,
+COc1ccc2c(c1)Cc1sc(NC(=O)c3cccnc3)nc1-2,0,0.0,
+COc1ccc2c(c1)Cc1sc(NC(=O)c3ccco3)nc1-2,0,0.0,
+COc1ccc2c(c1)Cc1sc(NC(=O)c3cccs3)nc1-2,0,0.0,
+COc1ccc2c(c1)Cc1sc(NC(C)=O)nc1-2,0,3.0,
+COc1ccc2c(c1)N(C(=O)CN1C(=O)C3CCCCC3C1=O)C(C)(C)C=C2C,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(=C1/SC(=NCc3ccccc3)N(c3ccccc3)C1=O)S2,0,4.0,
+COc1ccc2c(c1)N(C)C(=O)CC(c1ccccc1)=N2,0,0.0,
+COc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2=O,0,1.0,
+COc1ccc2c(c1)N1CCN=C1N2C,0,2.0,
+COc1ccc2c(c1)NC(=O)CC(c1ccccc1)=N2,0,0.0,
+COc1ccc2c(c1)NC(C)(C)C=C2C,0,0.0,
+COc1ccc2c(c1)NC(c1cc(Cl)cc(Cl)c1O)c1cccn1-2,0,5.0,
+COc1ccc2c(c1)NC1(O)c3ccccc3C(=O)C21O,0,1.0,
+COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O,0,4.0,
+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,0,2.0,
+COc1ccc2c(c1)OC(O)(C(F)F)CC2=O,0,5.0,
+COc1ccc2c(c1)OC(c1ccccc1)(C(F)(F)F)NC2=O,0,0.0,
+COc1ccc2c(c1)OC/C(=C/c1cccs1)C2=O,0,3.0,
+COc1ccc2c(c1)OC1(C)CC2C(C(=O)c2ccccc2OC)C(=O)N1,0,0.0,
+COc1ccc2c(c1)OC13CCCCC1C2C(C(=O)c1ccccc1)C(=O)N3,0,1.0,
+COc1ccc2c(c1)OC13CCN(C)CC1C2C(C(=O)c1ccc(F)cc1)C(=O)N3,0,4.0,
+COc1ccc2c(c1)OC1=C(C(=O)CCC1)C2C1=C(O)CCCC1=O,0,0.0,
+COc1ccc2c(c1)OCC1=C2CCC2(C)C(=O)CC=C12,0,0.0,
+COc1ccc2c(c1)O[C@@H](c1ccc3c(c1)OCO3)[C@H](OC(=O)Nc1cc(OC)c(OC)c(OC)c1)C2=O,0,0.0,
+COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](O)C2=O,0,1.0,
+COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)NCCc1ccc(OC)c(OC)c1)C2=O,0,0.0,
+COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)N[C@H]1CCCc3ccccc31)C2=O,0,0.0,
+COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)Nc1ccc(OC(F)F)cc1)C2=O,0,9.0,
+COc1ccc2c(c1)O[C@H](c1ccc3c(c1)OCO3)[C@@H](O)C2=O,0,0.0,
+COc1ccc2c(c1)O[C@H](c1ccc3c(c1)OCO3)[C@@H](OC(=O)N[C@H](C)C1CCCCC1)C2=O,0,3.0,
+COc1ccc2c(c1)O[C@H](c1ccc3c(c1)OCO3)[C@@H](OC(=O)N[C@H]1CCCc3ccccc31)C2=O,0,0.0,
+COc1ccc2c(c1)O[C@H](c1ccc3c(c1)OCO3)[C@@H](OC(=O)Nc1cc(OC)c(OC)c(OC)c1)C2=O,0,4.0,
+COc1ccc2c(c1)S/C(=C\C(=O)c1ccncc1)N2C,0,0.0,
+COc1ccc2c(c1)SC(C)CC2=O,0,0.0,
+COc1ccc2c(c1)SC1=NCCS(=O)(=O)N12,0,4.0,
+COc1ccc2c(c1)SCC(=O)N2C,0,1.0,
+COc1ccc2c(c1)SCC/C2=C\CN1C(=O)CCC1=O,0,0.0,
+COc1ccc2c(c1)SCCC2=O,0,17.0,
+COc1ccc2c(c1)Sc1ccccc1N2,0,0.0,
+COc1ccc2c(c1)Sc1ccccc1N2CCN(C)C,0,0.0,
+COc1ccc2c(c1)[N+](C)(C)C(C)(C)C=C2C,0,0.0,
+COc1ccc2c(c1)[n+](=O)c(C(C)=O)c(C)n2[O-],0,5.0,
+COc1ccc2c(c1)[nH]c(=O)c1sc3ccccc3c12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/C3C(C)C=C(C)CC3C)c(=O)[nH]c12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(OC)c(COc4ccccn4)c3)cnc12,0,2.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(CC3CCCO3)cnc12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(CCC3=CCCCC3)cnc12,0,6.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(CCCN3CCOCC3)cnc12,0,1.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(CCCn3ccnc3)cnc12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(CCN(C)C)cnc12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCCC3)cnc12,0,2.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(CCc3cnc[nH]3)cnc12,0,7.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccccn3)cnc12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccco3)cnc12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(=O)n(N)cnc12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(Cl)ncnc12,0,0.0,
+COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12,0,1.0,
+COc1ccc2c(c1)c(=O)c(Br)c(C)n2Cc1ccccc1,0,2.0,
+COc1ccc2c(c1)c(=O)c(C(=O)O)c(-c1ccc3c(c1)OCO3)n2C,0,0.0,
+COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(F)cc1,0,0.0,
+COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(Cl)cc1)cn2CC(=O)Nc1ccc(F)cc1,0,0.0,
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+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)NC1CCS(=O)(=O)C1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)NC1CCSC1=O,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)NCc1cccnc1,0,1.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,2.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1=NCCS1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCSC1=O,0,1.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC1COc2ccccc2O1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCN1CCOCC1,0,0.0,
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+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(N)=O,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1,0,3.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC1CC1,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NCc1ccco1,0,5.0,
+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)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O,0,7.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCN1C(=O)c2ccccc2C1=O,0,0.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1cnc(Cl)s1,0,3.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCn1nnc2ccccc2c1=O,0,2.0,
+Cc1onc(-c2c(F)cccc2Cl)c1C(N)=S,0,2.0,
+Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,0,1.0,
+Cc1onc(-c2ccccc2)c1-c1n[nH]c(=S)n1-c1ccc(C(=O)O)cc1,0,0.0,
+Cc1onc(-c2ccccc2)c1-c1n[nH]c(=S)n1-c1ccccc1,0,0.0,
+Cc1onc(-c2ccccc2)c1-c1n[nH]c(=S)n1-c1ccccc1Cl,0,0.0,
+Cc1onc(-c2ccccc2)c1-c1nc2ccccc2c(=O)o1,0,8.0,
+Cc1onc(-c2ccccc2)c1C(=O)N(Cc1ccco1)Cc1cccs1,0,20.0,
+Cc1onc(-c2ccccc2)c1C(=O)N/N=C(\N)COc1ccc(Cl)cc1,0,12.0,
+Cc1onc(-c2ccccc2)c1C(=O)N/N=C/C(Br)=C/c1ccccc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1c[nH]c2ccccc12,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc(Br)c(Br)o1,0,2.0,
+Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc2c(cc1Br)OCO2,0,1.0,
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+Cc1onc(-c2ccccc2)c1C(=O)NC(C)C1CCCO1,0,4.0,
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+Cc1onc(-c2ccccc2)c1C(=O)NCC1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,0,1.0,
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+Cc1onc(-c2ccccc2)c1C(=O)NCCc1c[nH]c2ccccc12,0,7.0,
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+Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1,0,1.0,
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+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCO2,0,1.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C#N)c1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(OC(C)C)c1,0,1.0,
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+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1N1CCOCC1,0,1.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1cccnc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccncc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccnn1C1CCCCC1,0,4.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1ccon1,0,2.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1,0,5.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1,0,4.0,
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+Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)CCCC2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(-c2ccncc2)s1,0,2.0,
+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)s1,0,2.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCC(C)C2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCC2,0,3.0,
+Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NCc1ccc(F)cc1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,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)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)c1c[nH]c(C(=O)NCc2ccccn2)c1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)c1c[nH]c(C(=O)NCc2ccncc2)c1,0,1.0,
+Cc1onc(-c2ccccc2)c1C(=O)n1cc(Br)cn1,0,1.0,
+Cc1onc(-c2ccccc2)c1C(=O)n1cccn1,0,0.0,
+Cc1onc(-c2ccccc2)c1C(=O)n1nnc2ccccc21,0,2.0,
+Cc1onc(-c2ccccc2)c1C(N)=O,0,0.0,
+Cc1onc(-c2ccccc2)c1C1=N/C(=C\c2ccccc2F)C(=O)O1,0,0.0,
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+Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccccn2)no1,0,3.0,
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+Cc1onc(COc2ccccc2O)c1Br,0,0.0,
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+Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O,0,0.0,
+Cc1sccc1/C=N/NC(=O)c1cccc2ccccc12,0,6.0,
+Cc1sccc1C1C(C#N)=C(N)SC(N)=C1C#N,0,3.0,
+Cc1snc(S(=O)(=O)/C(C#N)=N/Nc2ccc(C(F)(F)F)cc2)c1C#N,0,0.0,
+Cc1snc(S(=O)(=O)/C(C#N)=N/Nc2cccc(C(F)(F)F)c2)c1C#N,0,0.0,
+Cc1snc(S(=O)(=O)/C(C#N)=N\Nc2ccccc2)c1C#N,0,0.0,
+Cc1snc(S(=O)(=O)Cc2c(Cl)cccc2Cl)c1C#N,0,0.0,
+Cc1snc(S(=O)(=O)Cc2ccccc2Cl)c1C#N,0,0.0,
+Cc1snc(SCC(=O)N/N=C(\N)COc2ccc(F)cc2)c1C#N,0,2.0,
+Cc1snc(SCC(=O)N/N=C(\N)COc2cccc(C(F)(F)F)c2)c1C#N,0,7.0,
+Cc1snc(SCC(=O)c2ccc(Cl)cc2)c1C#N,0,1.0,
+Cc1snc(SCC(=O)c2ccc(F)cc2)c1C#N,0,0.0,
+Cc1snc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c1C#N,0,0.0,
+Cc1snc2sc(C(=O)c3ccc(Br)cc3)c(N)c12,0,1.0,
+c1ccc(CCNCc2ccccc2)cc1,0,4.0,
+ClC(=C\c1ccccc1)/C=N/N1CCN(c2ccccn2)CC1,0,0.0,
+ClC(Br)=C(n1cnc2ccccc21)n1cnc2ccccc21,0,0.0,
+ClC(Cl)(Cl)c1nc(N/N=C/c2ccncc2)c2ccccc2n1,0,0.0,
+ClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1,0,2.0,
+ClC(Cl)c1nnc(-c2ccccc2)c(-c2c[nH]c3ccccc23)n1,0,4.0,
+ClC1(Cl)CC1CSc1nc2ccccc2[nH]1,0,8.0,
+ClC1(Cl)CC1CSc1ncn[nH]1,0,3.0,
+ClC1(Cl)CC1Cn1c(C2CC2)nc2ccccc21,0,7.0,
+ClC1(Cl)CC1Cn1cnc2ccccc21,0,1.0,
+ClCC1CN(Cc2ccccc2Cl)CCO1,0,0.0,
+ClCC1CSC(=NC23CC4CC(CC(C4)C2)C3)O1,0,0.0,
+ClCC1NCC(c2ccccc2Cl)c2c1[nH]c1ccccc21,0,0.0,
+ClCCN1C2=NCCCN2c2ccccc21,0,0.0,
+ClCCNc1nc2ccc(Cl)cc2[nH]1,0,3.0,
+ClCCSc1nnc(-c2cccnc2)o1,0,0.0,
+ClCc1cc2ccccc2nc1Cl,0,3.0,
+ClCc1csc(-c2ccc(Cl)cc2)n1,0,2.0,
+ClCc1csc(-c2ccccc2Cl)n1,0,1.0,
+ClCc1ncc(-c2ccc(Cl)cc2)o1,0,11.0,
+ClCc1nnc(-c2cc3c(s2)CCCC3)o1,0,0.0,
+ClCc1nnc(-c2ccccc2)o1,0,0.0,
+NC1CCCCC1N.[Pt+2],0,0.0,
+Clc1c(-c2ccccc2)nnn1-c1ccccc1,0,2.0,
+Clc1c(-c2nnc3n2CCC3)sc2ccccc12,0,0.0,
+Clc1c(-c2nnc3n2CCCCC3)sc2ccccc12,0,0.0,
+Clc1c(CSc2nc3ccccc3o2)nc2ccccn12,0,8.0,
+Clc1c(CSc2nc3ccccc3o2)nc2sccn12,0,7.0,
+Clc1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Br,0,3.0,
+Clc1cc(Br)ccc1OCCCNCc1ccccc1,0,2.0,
+Clc1cc(Br)ccc1OCCCn1ccnc1,0,11.0,
+Clc1cc(Br)ccc1OCCN1CCOCC1,0,1.0,
+Clc1cc(Br)ccc1OCCOCCN1CCOCC1,0,1.0,
+Clc1cc(Br)ccc1OCCOCCOc1cccc2cccnc12,0,9.0,
+Clc1cc(Br)ccc1OCCn1ccnc1,0,2.0,
+Clc1cc(CSc2ccccc2)nc(-c2ccccc2)n1,0,5.0,
+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(Cl)c2nc(N3CCOCC3)sc2c1,0,14.0,
+Clc1cc(Cl)cc(C2=NCCC(c3ccccc3)O2)c1,0,6.0,
+Clc1cc(Cl)cc(CSc2nnc(-c3sccc3-n3cccc3)o2)c1,0,0.0,
+Clc1cc(Cl)cc(Nc2ncn[nH]2)c1,0,0.0,
+Clc1cc(NCc2cccs2)ccc1N1CCOCC1,0,0.0,
+Clc1cc(Sc2ccc(Br)cc2)nnc1-c1ccccc1,0,16.0,
+Clc1cc2c(c(Cn3cnc4ccccc43)c1)OCOC2,0,3.0,
+Clc1cc2c(cc1/C=N/Nc1nc(N3CCOCC3)nc(N3CCOCC3)n1)OCO2,0,0.0,
+Clc1cc2cccnc2c2ccccc12,0,2.0,
+Clc1cc2nc3ccccn3c2cc1Cl,0,3.0,
+Clc1ccc(-c2[nH]ncc2-n2cncn2)cc1,0,0.0,
+Clc1ccc(-c2c[n+](Cc3ccc(Cl)c(Cl)c3)c3n2CCC3)cc1,0,4.0,
+Clc1ccc(-c2c[n+](Cc3cccc(Cl)c3)c3n2CCC3)cc1,0,0.0,
+Clc1ccc(-c2c[n+]3c(n2-c2ccccc2)SCC3)cc1,0,2.0,
+Clc1ccc(-c2c[nH]c3ccccc23)nn1,0,0.0,
+Clc1ccc(-c2cc(-c3nnc4n3CCCCC4)c3ccccc3n2)cc1,0,0.0,
+Clc1ccc(-c2cc(C3CCNCC3)[nH]n2)c(Cl)c1,0,0.0,
+Clc1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1,0,0.0,
+Clc1ccc(-c2cc(COc3ccc4ccccc4c3)no2)cc1,0,0.0,
+Clc1ccc(-c2cc(COc3ccccc3)no2)cc1Cl,0,5.0,
+Clc1ccc(-c2cc(COc3ccccc3)on2)cc1,0,10.0,
+Clc1ccc(-c2cc(CSc3cccc(Cl)c3)on2)cc1,0,19.0,
+Clc1ccc(-c2cc(CSc3ccccc3)on2)cc1,0,8.0,
+Clc1ccc(-c2cc3ccccc3[nH]2)cc1,0,0.0,
+Clc1ccc(-c2cc3ccccc3nc2N2CCCC2)cc1,0,7.0,
+Clc1ccc(-c2cc3ccccc3nc2N2CCOCC2)cc1,0,5.0,
+Clc1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)cc1,0,2.0,
+Clc1ccc(-c2ccc(/C=N/Nc3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1,0,0.0,
+Clc1ccc(-c2ccc(/C=N/Nc3nncc(-c4ccccc4)n3)o2)cc1,0,3.0,
+Clc1ccc(-c2ccc(C=Nc3ccc(N4CCOCC4)cc3)o2)c(Cl)c1,0,0.0,
+Clc1ccc(-c2ccc(C=Nc3ccc(N4CCOCC4)cc3)o2)cc1,0,0.0,
+Clc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1,0,0.0,
+Clc1ccc(-c2cccs2)nn1,0,4.0,
+Clc1ccc(-c2ccn[nH]2)cc1,0,0.0,
+Clc1ccc(-c2ccnc(-n3cccc3)n2)s1,0,0.0,
+Clc1ccc(-c2ccnc(Oc3cc(Cl)ccc3Cl)n2)cc1,0,0.0,
+Clc1ccc(-c2ccnc(Oc3ccc4ccccc4c3)n2)cc1,0,6.0,
+Clc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCS3)cc1,0,2.0,
+Clc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1Cl,0,2.0,
+Clc1ccc(-c2cn3c(n2)CCC3)cc1,0,0.0,
+Clc1ccc(-c2cn3c(n2)SCC3)cc1,0,6.0,
+Clc1ccc(-c2cn3cc(Br)ccc3n2)cc1Cl,0,0.0,
+Clc1ccc(-c2cn3cccnc3n2)cc1,0,0.0,
+Clc1ccc(-c2cn3cccnc3n2)cc1Cl,0,8.0,
+Clc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1,0,0.0,
+Clc1ccc(-c2cnc(Oc3ccccc3)nc2)cc1,0,3.0,
+Clc1ccc(-c2cnc3ccccc3n2)cc1,0,0.0,
+Clc1ccc(-c2cnc3n2CCC3)cc1,0,4.0,
+Clc1ccc(-c2cnc3n2CCCCC3)cc1,0,0.0,
+Clc1ccc(-c2cnn3c(-c4ccncc4)ccnc23)cc1,0,0.0,
+Clc1ccc(-c2csc(-c3ccncc3)n2)cc1,0,0.0,
+Clc1ccc(-c2csc(=Nc3cccnc3)n2CCCn2ccnc2)cc1Cl,1,28.0,0.0
+Clc1ccc(-c2csc(N/N=C/c3ccc4c(c3)OCO4)n2)cc1,0,0.0,
+Clc1ccc(-c2csc(N/N=C/c3cccnc3)n2)c(Cl)c1,0,0.0,
+Clc1ccc(-c2csc(N/N=C\c3cccnc3)n2)cc1,0,0.0,
+Clc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1,0,6.0,
+Clc1ccc(-c2csc(N3CCN(c4ccccc4)CC3)n2)cc1,0,4.0,
+Clc1ccc(-c2csc(N3CCOCC3)n2)cc1,0,2.0,
+Clc1ccc(-c2csc(N3CCSCC3)n2)cc1,0,5.0,
+Clc1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1,0,11.0,
+Clc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1,0,0.0,
+Clc1ccc(-c2csc(Nc3ccccc3)[n+]2Cc2ccco2)c(Cl)c1,1,31.0,1.0
+Clc1ccc(-c2csc3ncnc(Cl)c23)cc1,0,0.0,
+Clc1ccc(-c2csc3ncnc(N4CCc5ccccc5C4)c23)cc1,0,0.0,
+Clc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1,0,0.0,
+Clc1ccc(-c2n[nH]c3c2CCC3)c(Cl)c1,0,0.0,
+Clc1ccc(-c2n[nH]c3c2CCC3)cc1Cl,0,0.0,
+Clc1ccc(-c2n[nH]c3c2CCCC3)cc1,0,0.0,
+Clc1ccc(-c2nc(-c3ccccn3)no2)cc1Cl,0,0.0,
+Clc1ccc(-c2nc(/C=N/N3CCOCC3)c3ccccn23)cc1,0,3.0,
+Clc1ccc(-c2nc(C3CCCCC3)no2)cc1,0,10.0,
+Clc1ccc(-c2nc(Cc3ccccc3)no2)cc1,0,15.0,
+Clc1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1,0,5.0,
+Clc1ccc(-c2nc(N3CCCCC3)nc3ccccc23)cc1,0,2.0,
+Clc1ccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)cc1,0,0.0,
+Clc1ccc(-c2nc3ccc(Cl)cn3c2CN2CCOCC2)cc1,0,15.0,
+Clc1ccc(-c2nc3ccccc3n2OCc2ccccc2)cc1,0,5.0,
+Clc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1,0,9.0,
+Clc1ccc(-c2nc3ccccn3c2CN2CCCCC2)cc1,0,7.0,
+Clc1ccc(-c2nc3ccccn3c2CN2CCOCC2)cc1,0,6.0,
+Clc1ccc(-c2nc3ccccn3c2CN2CCSCC2)cc1,0,18.0,
+Clc1ccc(-c2nc3ccncc3[nH]2)cc1,0,4.0,
+Clc1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1,0,11.0,
+Clc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1,0,15.0,
+Clc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1,0,4.0,
+Clc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1,0,0.0,
+Clc1ccc(-c2nc3ncccc3n2OCc2ccccc2)c(Cl)c1,0,6.0,
+Clc1ccc(-c2nc3ncccn3c2Cl)cc1,0,0.0,
+Clc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1,0,9.0,
+Clc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc1,0,5.0,
+Clc1ccc(-c2ncc3ccccn23)c(Cl)c1,0,5.0,
+Clc1ccc(-c2ncc3ccccn23)cc1,0,0.0,
+Clc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,0,9.0,
+Clc1ccc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)cc1,1,24.0,0.0
+Clc1ccc(-c2nn3cnnc3s2)c(Cl)c1,0,0.0,
+Clc1ccc(-c2nnc(-c3ccc(Br)cc3)c(N3CCSCC3)n2)cc1,0,6.0,
+Clc1ccc(-c2nnc(-c3ccc(Br)o3)o2)c(Cl)c1,0,0.0,
+Clc1ccc(-c2nnc(-c3ccccc3)c(N3CCSCC3)n2)cc1,0,12.0,
+Clc1ccc(-c2nnc(-c3ccccc3)nc2-c2c[nH]c3ccccc23)cc1,0,0.0,
+Clc1ccc(-c2nnc(-c3ccccc3)nc2N2CCSCC2)cc1,0,7.0,
+Clc1ccc(-c2nnc(-c3ccccc3)o2)c(Cl)c1,0,9.0,
+Clc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1,1,25.0,0.0
+Clc1ccc(-c2nnc(-c3ccco3)nc2N2CCCCC2)cc1,0,4.0,
+Clc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,6.0,
+Clc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cn1,0,0.0,
+Clc1ccc(-c2nnc(C3CCCCC3)o2)cc1,0,4.0,
+Clc1ccc(-c2nnc(CCc3ccccc3)o2)c(Cl)c1,0,9.0,
+Clc1ccc(-c2nnc(CNC3CC3)o2)cc1,0,3.0,
+Clc1ccc(-c2nnc(COc3ncnc4ccccc34)o2)cc1,0,6.0,
+Clc1ccc(-c2nnc(COc3ncnc4sccc34)o2)cc1,0,6.0,
+Clc1ccc(-c2nnc(CSc3nnc(-c4cccs4)n3Cc3ccccc3)o2)cc1,0,15.0,
+Clc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1,0,0.0,
+Clc1ccc(-c2nnc(N3CCCC3)nn2)cc1,0,0.0,
+Clc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1,0,0.0,
+Clc1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1,0,5.0,
+Clc1ccc(-c2nnc(SCc3ccon3)o2)c(Cl)c1,0,4.0,
+Clc1ccc(-c2nnc(SCc3cn4ccsc4n3)n2CC2CCCO2)cc1,0,7.0,
+Clc1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)o2)cc1,0,4.0,
+Clc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c(Cl)c1,0,6.0,
+Clc1ccc(-c2nnc(SCc3nc4ccccc4s3)o2)cc1,0,1.0,
+Clc1ccc(-c2nnc(Sc3nc4ccccc4o3)c3ccccc23)cc1,0,0.0,
+Clc1ccc(-c2nnc3c4ccccc4nc(N4CCOCC4)n23)cc1Cl,1,20.0,0.0
+Clc1ccc(-c2nnc3cccc(Cl)n23)c(Cl)c1,0,1.0,
+Clc1ccc(-c2nnc3ccccn23)cc1,0,0.0,
+Clc1ccc(-c2nnc3n2CCCC3)cc1,0,0.0,
+Clc1ccc(-c2nnc3n2CCCC3)cc1Cl,0,0.0,
+Clc1ccc(-c2nnc3n2CCCCC3)cc1,0,0.0,
+Clc1ccc(-c2nnc3n2CCCCS3)cc1,0,11.0,
+Clc1ccc(-c2nnc3n2CCCS3)cc1,0,0.0,
+Clc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)c(Cl)c1,0,5.0,
+Clc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1,0,3.0,
+Clc1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1,0,0.0,
+Clc1ccc(-c2nnc3sc(Cc4cccs4)nn23)c(Cl)c1,0,0.0,
+Clc1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1,0,8.0,
+Clc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,0,11.0,
+Clc1ccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)cc1Cl,0,4.0,
+Clc1ccc(-c2nnsc2SCc2ccccc2)cc1,0,13.0,
+Clc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1,0,3.0,
+Clc1ccc(-c2noc(CCCc3ccccc3)n2)cc1,0,0.0,
+Clc1ccc(-c2noc(CN(Cc3ccccn3)CC3CCCO3)n2)cc1,0,4.0,
+Clc1ccc(-c2noc(CN3CCCC3)n2)cc1,0,7.0,
+Clc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,0,9.0,
+Clc1ccc(-c2noc(COc3ccccc3)n2)cc1,0,1.0,
+Clc1ccc(-c2noc(CSc3nnc(-c4ccncc4)n3-c3ccccc3)n2)cc1,0,0.0,
+Clc1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3-c3ccccc3)n2)cc1,0,17.0,
+Clc1ccc(-c2onc3c2CCCC3)cc1,0,0.0,
+Clc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccnc2)cc1,1,23.0,
+Clc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccncc2)cc1,0,2.0,
+Clc1ccc(-n2cc(COCc3ccccc3)nn2)cc1,0,7.0,
+Clc1ccc(-n2cccc2)cn1,0,16.0,
+Clc1ccc(-n2cccc2/C=N/n2cnnc2)cc1,0,0.0,
+Clc1ccc(-n2cccc2CN2CCc3c([nH]c4ccccc34)C2c2ccccn2)nc1,1,25.0,0.0
+Clc1ccc(-n2cnnn2)cc1,0,5.0,
+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)cc1,0,2.0,
+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)cc1,0,1.0,
+Clc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1,0,12.0,
+Clc1ccc(-n2nnc(-c3cccnc3)n2)cc1Cl,0,0.0,
+Clc1ccc(-n2nnc(-c3cccnc3Cl)n2)cc1Cl,0,5.0,
+Clc1ccc(-n2nnc(-c3cccnc3Cl)n2)cn1,0,1.0,
+Clc1ccc(-n2nnc(-c3nccs3)n2)cc1Cl,0,3.0,
+Clc1ccc(-n2nnnc2-c2ccccc2)cc1,0,0.0,
+Clc1ccc(-n2nnnc2-c2ccccc2)cc1Cl,0,2.0,
+Clc1ccc(-n2nnnc2-c2cnc(-c3ccccn3)nc2-c2cccs2)cc1,0,7.0,
+Clc1ccc(-n2nnnc2-c2cnc(-c3ccncc3)nc2-c2cccs2)cc1,1,33.0,0.0
+Clc1ccc(-n2nnnc2CN2CCCCC2)cc1Cl,0,3.0,
+Clc1ccc(-n2nnnc2CN2CCOCC2)cc1,0,0.0,
+Clc1ccc(-n2nnnc2CN2CCOCC2)cc1Cl,0,3.0,
+Clc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3sccn23)cc1,0,15.0,
+Clc1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1,0,0.0,
+Clc1ccc(-n2nnnc2Sc2ncnc3sccc23)cc1,0,14.0,
+Clc1ccc(/C(Cc2nc3ccccc3[nH]2)=N\Nc2ccccc2)cc1,0,0.0,
+Clc1ccc(/C=C/c2nc3ccccc3[nH]2)c(Cl)c1,0,6.0,
+Clc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1,0,2.0,
+Clc1ccc(/C=C/c2ncc3ccccn23)cc1,0,0.0,
+Clc1ccc(/C=C\c2nccc3c2[nH]c2ccccc23)cc1,0,1.0,
+Clc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1,0,3.0,
+Clc1ccc(/C=N/NC(=Nc2ccccc2)c2ccccn2)c(Cl)c1,0,17.0,
+Clc1ccc(/C=N/NC2=Nc3cccc4cccc2c34)cc1,0,0.0,
+Clc1ccc(/C=N/Nc2ccccn2)cc1,0,1.0,
+Clc1ccc(/C=N/Nc2nc(Cl)nc3ccccc23)cc1,0,4.0,
+Clc1ccc(/C=N/Nc2nc3c(s2)CCCC3)c(Cl)c1,0,0.0,
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+Clc1ccc(/C=N/Nc2nn[nH]n2)cc1,0,4.0,
+Clc1ccc(/C=N/Nc2nnc(-c3ncc[nH]3)c3ccccc23)cc1,0,0.0,
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+Clc1ccc(/C=N/c2c(-c3ccc(Cl)cc3)nc3n2CCS3)cc1,0,0.0,
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+Clc1ccc(C(c2ccccc2)N2CCNCC2)cc1,0,6.0,
+Clc1ccc(C(c2ccccc2)c2ncc[nH]2)cc1,0,0.0,
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+Clc1ccc(C(c2nnnn2C2CCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1,0,2.0,
+Clc1ccc(C(c2nnnn2C2CCCC2)N2CCSCC2)cc1,0,19.0,
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+Clc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1Cl,0,13.0,
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+Clc1ccc(CCNc2nc3ccccc3s2)cc1,0,7.0,
+Clc1ccc(CCNc2ncnc3nc[nH]c23)cc1,0,3.0,
+Clc1ccc(CN(CC2CCCO2)C(c2cccs2)c2nnnn2C2CCCC2)cc1,1,39.0,0.0
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+Clc1ccc(CN2C3=NCCN3c3ccccc32)cc1,0,15.0,
+Clc1ccc(CN2C3=NCCN3c3ccccc32)cc1Cl,1,39.0,
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+Clc1ccc(CN2CCCCCCC2)cc1Cl,1,22.0,0.0
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+Clc1ccc(CN2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1,0,16.0,
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+Clc1ccc(CNC2CN3CCC2CC3)cc1,0,5.0,
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+Clc1ccc(CNc2ccc(CNc3ncn[nH]3)cc2)cc1,0,0.0,
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+Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,1,22.0,1.0
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+Clc1ccc(COn2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1,1,84.0,
+Clc1ccc(COn2c(-c3ccc(Cl)cc3Cl)nc3ncccc32)cc1,0,10.0,
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+Clc1ccc(COn2nnc3ccccc32)c(Cl)c1,0,0.0,
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+Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1,0,18.0,
+Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1Cl,0,15.0,
+Clc1ccc(CSc2ccc(-c3ccccn3)nn2)cc1,0,0.0,
+Clc1ccc(CSc2ccc(-c3cccnc3)nn2)cc1,0,1.0,
+Clc1ccc(CSc2ccc(-c3ccco3)nn2)cc1,0,6.0,
+Clc1ccc(CSc2cn3c(n2)CCC3)cc1,0,2.0,
+Clc1ccc(CSc2nc3ccncc3[nH]2)cc1,0,1.0,
+Clc1ccc(CSc2ncccn2)cc1,0,5.0,
+Clc1ccc(CSc2nccn2Cc2ccccc2)cc1,0,4.0,
+Clc1ccc(CSc2ncn(-c3ccccc3)n2)cc1,0,3.0,
+Clc1ccc(CSc2ncn[nH]2)cc1,0,5.0,
+Clc1ccc(CSc2ncnc3nc[nH]c23)cc1,0,0.0,
+Clc1ccc(CSc2ncnn2Cc2ccc(Cl)cc2)cc1,0,11.0,
+Clc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1,0,5.0,
+Clc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,0,8.0,
+Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)c1,0,4.0,
+Clc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(Cl)c1,0,1.0,
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+Clc1ccc(CSc2nnc(-c3ccncc3)o2)c(Cl)c1,0,4.0,
+Clc1ccc(CSc2nnc(-c3ccncc3)o2)cc1,0,7.0,
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+Clc1ccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1Cl,0,3.0,
+Clc1ccc(CSc2nnc(CNc3cccc(Cl)c3)o2)cc1,0,0.0,
+Clc1ccc(CSc2nnc(Cn3cnc4ccccc43)o2)cc1,0,0.0,
+Clc1ccc(CSc2nnc(NC3=NCCCCC3)s2)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(CSc2nnc3ccccn23)c(Cl)c1,0,1.0,
+Clc1ccc(CSc2nncn2-c2ccccn2)cc1,0,0.0,
+Clc1ccc(CSc2nnnn2-c2ccc3c(c2)OCO3)c(Cl)c1,0,10.0,
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+Clc1ccc(CSc2snnc2-c2ccccc2)cc1,0,6.0,
+Clc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1Cl,0,5.0,
+Clc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCCCC3)c(Cl)c1,1,50.0,1.0
+Clc1ccc(C[n+]2csc3ccccc32)cc1,0,0.0,
+Clc1ccc(Cc2ccc(Cl)nn2)c(Cl)c1,0,6.0,
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+Clc1ccc(Cc2nc(-c3ccncc3)no2)cc1,0,3.0,
+Clc1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1,0,9.0,
+Clc1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,0,3.0,
+Clc1ccc(Cc2nnc(-c3ccccc3Br)o2)cc1,0,2.0,
+Clc1ccc(Cc2nnc(-c3cccs3)o2)cc1,0,1.0,
+Clc1ccc(Cc2noc(-c3cccs3)n2)cc1,0,0.0,
+Clc1ccc(Cc2noc(CN3CCN(c4ccccc4)CC3)n2)c(Cl)c1,0,3.0,
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+Clc1ccc(Cl)c(-c2ccc(/C=N/c3ncn[nH]3)o2)c1,0,0.0,
+Clc1ccc(Cl)c(-c2nn3c(COc4ccccc4)nnc3s2)c1,0,4.0,
+Clc1ccc(Cl)c(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1,0,3.0,
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+Clc1ccc(Cl)c(OCCCCNCc2ccccc2)c1,0,6.0,
+Clc1ccc(Cl)c(OCCN2CCOCC2)c1,0,3.0,
+Clc1ccc(Cl)c(OCc2cc(-c3ccccc3Cl)on2)c1,0,0.0,
+Clc1ccc(Cl)c(Oc2ccc(Oc3nc(Cl)ccc3Cl)cc2)n1,0,1.0,
+Clc1ccc(Cl)c2sc(N3CCCC3)nc12,0,0.0,
+Clc1ccc(Cl)c2sc(N3CCOCC3)nc12,0,3.0,
+Clc1ccc(Cn2c(-c3cccnc3Cl)nc3ccccc32)c(Cl)c1,0,6.0,
+Clc1ccc(Cn2c(-c3cccnc3Cl)nc3ccccc32)cc1,0,3.0,
+Clc1ccc(Cn2c(/C=C/c3ccco3)nc3ccccc32)cc1,0,2.0,
+Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,0,8.0,
+Clc1ccc(Cn2cc(/C=N/n3cnnc3)c3ccccc32)c(Cl)c1,0,2.0,
+Clc1ccc(Cn2cc(/C=N/n3cnnc3)c3ccccc32)cc1,0,6.0,
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+Clc1ccc(Cn2ccc(-c3ccc4c(c3)OCO4)n2)cc1Cl,0,10.0,
+Clc1ccc(Cn2ccc(C3CC3)n2)cc1,0,3.0,
+Clc1ccc(Cn2cccc2C2=NCCO2)cc1,0,5.0,
+Clc1ccc(Cn2cccn2)cn1,0,0.0,
+Clc1ccc(Cn2ccnc2)cn1,0,1.0,
+Clc1ccc(Cn2cnc3ccccc32)cc1,0,0.0,
+Clc1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1,0,0.0,
+Clc1ccc(Cn2ncc3c(N4CCCC4)ncnc32)cc1,0,0.0,
+Clc1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)c(Cl)c1,0,1.0,
+Clc1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)cc1,0,0.0,
+Clc1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1,0,0.0,
+Clc1ccc(Cn2ncc3c(NCCN4CCOCC4)ncnc32)cc1,0,1.0,
+Clc1ccc(Cn2ncc3c(NCc4ccccc4)ncnc32)c(Cl)c1,0,1.0,
+Clc1ccc(Cn2ncc3c(NCc4ccccc4)ncnc32)cc1,0,0.0,
+Clc1ccc(Cn2ncc3c(NCc4cccnc4)ncnc32)cc1,0,0.0,
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+Clc1ccc(N/N=C/c2ccncc2)cc1Cl,0,0.0,
+Clc1ccc(N2CCCCCC2)nn1,0,11.0,
+Clc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1,0,0.0,
+Clc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1,0,11.0,
+Clc1ccc(N2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)nc1,0,5.0,
+Clc1ccc(N2CCNCC2)nn1,0,1.0,
+Clc1ccc(N2CCOCC2)nn1,0,0.0,
+Clc1ccc(N2COC3c4cccc5cccc(c45)C32)cc1,0,5.0,
+Clc1ccc(N2N=C(c3cccs3)CC2c2ccco2)cc1,0,7.0,
+Clc1ccc(N=C(c2ccccc2)N2CCOCC2)cc1Cl,0,1.0,
+Clc1ccc(N=c2ssnc2Cl)cc1,0,0.0,
+Clc1ccc(N=c2ssnc2Cl)nc1,0,5.0,
+Clc1ccc(NC2(c3nnnn3C3CCCCC3)CCCCC2)cc1,0,5.0,
+Clc1ccc(NC2=NCCC2)cc1Cl,0,0.0,
+Clc1ccc(NC2=NCCCCC2)cc1,1,45.0,
+Clc1ccc(NCc2nnc3n2CCCCC3)cc1,0,0.0,
+Clc1ccc(NCc2nncn2-c2ccccc2)cc1,0,0.0,
+Clc1ccc(NCc2nnsc2Cl)cc1,0,0.0,
+Clc1ccc(NCn2cncn2)nc1,0,0.0,
+Clc1ccc(NNc2ccnc3cc(Cl)ccc23)cc1,0,0.0,
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+Clc1ccc(Nc2ccc(NCc3ccccc3)nn2)cc1,0,1.0,
+Clc1ccc(Nc2nc(-c3cccnc3)cs2)cc1,0,0.0,
+Clc1ccc(Nc2nc(-c3cccs3)cs2)nc1,0,0.0,
+Clc1ccc(Nc2nc(-c3ccncc3)cs2)cc1,0,0.0,
+Clc1ccc(Nc2nc(C3CC3)cs2)cc1,0,0.0,
+Clc1ccc(Nc2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)cc1,0,4.0,
+Clc1ccc(Nc2nc3ccccc3n3nnnc23)cc1,0,12.0,
+Clc1ccc(Nc2nc3cccnc3s2)cc1,0,0.0,
+Clc1ccc(Nc2ncn[nH]2)c(Cl)c1,0,2.0,
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+Clc1ccc(Nc2ncnc3ccc(Br)cc23)cc1,0,0.0,
+Clc1ccc(OC2CCN(Cc3nc(CC4CC4)no3)CC2)cc1,0,6.0,
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+Clc1ccc(OCC#CCN2CCCCCC2)cc1,0,12.0,
+Clc1ccc(OCC#CCN2CCOCC2)cc1,0,2.0,
+Clc1ccc(OCCCCCN2CCCC2)c(Br)c1,0,3.0,
+Clc1ccc(OCCCCN2CCc3ccccc3C2)cc1,0,13.0,
+Clc1ccc(OCCCCSc2ncccn2)cc1,0,7.0,
+Clc1ccc(OCCCN2CCCC2)cc1Cl,0,1.0,
+Clc1ccc(OCCCN2CCCCC2)c(Br)c1,0,0.0,
+Clc1ccc(OCCCNCc2ccccc2)c(Br)c1,0,0.0,
+Clc1ccc(OCCCc2nc(-c3cccnc3)no2)c(Cl)c1,0,8.0,
+Clc1ccc(OCCCc2nc(-c3ccncc3)no2)c(Cl)c1,0,8.0,
+Clc1ccc(OCCCn2ccnc2)c(Br)c1,0,0.0,
+Clc1ccc(OCCCn2cncn2)cc1Cl,0,0.0,
+Clc1ccc(OCCN2CCCCC2)c(Cl)c1,0,1.0,
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+Clc1ccc(OCCN2CCN(c3ncnc4sccc34)CC2)cc1,1,26.0,0.0
+Clc1ccc(OCCN2CCOCC2)cc1Cl,0,0.0,
+Clc1ccc(OCCOCCN2CCCCC2)c(Br)c1,0,12.0,
+Clc1ccc(OCCOCCN2CCc3ccccc3C2)c(Cl)c1,1,25.0,0.0
+Clc1ccc(OCCOCCOc2cccc3cccnc23)c(Br)c1,0,1.0,
+Clc1ccc(OCCSCc2nc3ccccc3[nH]2)cc1,0,4.0,
+Clc1ccc(OCCSc2ncccn2)c(Br)c1,0,0.0,
+Clc1ccc(OCCSc2ncccn2)c2ccccc12,0,7.0,
+Clc1ccc(OCCSc2ncccn2)cc1,0,0.0,
+Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,0,15.0,
+Clc1ccc(OCCn2c(-c3ccco3)nc3ccccc32)cc1,0,19.0,
+Clc1ccc(OCCn2ccnc2)c(Br)c1,0,9.0,
+Clc1ccc(OCCn2ccnc2)c(Cl)c1,0,4.0,
+Clc1ccc(OCCn2ccnc2)c2ccccc12,0,13.0,
+Clc1ccc(OCCn2cnc3ccccc32)c(Cl)c1,0,4.0,
+Clc1ccc(OCCn2cnc3ccccc32)cc1,0,3.0,
+Clc1ccc(OCc2cc(-c3ccccc3)no2)c(Cl)c1,0,9.0,
+Clc1ccc(OCc2cc(-c3ccccc3)no2)cc1Cl,0,8.0,
+Clc1ccc(OCc2cn3ccccc3n2)c2ncccc12,0,1.0,
+Clc1ccc(OCc2cn3cccnc3n2)c2ncccc12,0,2.0,
+Clc1ccc(OCc2cnc(Cl)s2)cc1,0,0.0,
+Clc1ccc(OCc2nc(-c3ccc(Br)o3)no2)cc1,0,6.0,
+Clc1ccc(OCc2nc(-c3ccccn3)n[nH]2)cc1,0,2.0,
+Clc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1,0,6.0,
+Clc1ccc(OCc2nc(-c3ccncc3)no2)c(Br)c1,0,9.0,
+Clc1ccc(OCc2nc(-c3ccncc3)no2)c(Cl)c1,0,4.0,
+Clc1ccc(OCc2nc(-c3ccncc3)no2)cc1,0,7.0,
+Clc1ccc(OCc2nc3ccccc3[nH]2)cc1,0,7.0,
+Clc1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)c(Cl)c1,0,3.0,
+Clc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)c(Cl)c1,0,2.0,
+Clc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1,0,15.0,
+Clc1ccc(OCc2nn3c(-c4ccncc4)nnc3s2)cc1,0,2.0,
+Clc1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)c(Cl)c1,0,14.0,
+Clc1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)cc1,0,19.0,
+Clc1ccc(OCc2nnc(-c3ccccc3Br)o2)c(Cl)c1,0,7.0,
+Clc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1,0,19.0,
+Clc1ccc(OCc2nnc(SCCN3CCCCC3)n2Cc2ccco2)cc1,0,0.0,
+Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1,0,0.0,
+Clc1ccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)c(Cl)c1,0,7.0,
+Clc1ccc(OCc2nnc3n2N=C(c2ccc4c(c2)OCCO4)CS3)c(Cl)c1,0,7.0,
+Clc1ccc(OCc2nnnn2-c2ccccc2)cc1,0,5.0,
+Clc1ccc(Oc2cccc(/C=N/n3cnnc3)c2)cc1,0,4.0,
+Clc1ccc(Oc2cnc3ccccc3n2)cc1,0,2.0,
+Clc1ccc(Oc2cnns2)c(Cl)c1,0,5.0,
+Clc1ccc(Oc2cnns2)cc1Cl,0,4.0,
+Clc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C2CCCCC2)c1,0,0.0,
+Clc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,0,0.0,
+Clc1ccc(Oc2nc(Oc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1,0,3.0,
+Clc1ccc(Oc2nc3ccccc3n3cccc23)cc1,0,3.0,
+Clc1ccc(Oc2ncnc3oc(-c4ccccc4)cc23)cc1,0,0.0,
+Clc1ccc(Oc2nnnn2-c2ccccc2)cc1,0,0.0,
+Clc1ccc(SCCCCN2CCNCC2)cc1,0,1.0,
+Clc1ccc(SCCCCN2CCOCC2)cc1,0,5.0,
+Clc1ccc(SCCCCn2ccnc2)cc1,0,0.0,
+Clc1ccc(SCCCCn2cncn2)cc1,0,0.0,
+Clc1ccc(SCCN2CCNCC2)cc1,0,3.0,
+Clc1ccc(SCCOCCN2CCCCC2)cc1,0,15.0,
+Clc1ccc(SCCOCCN2CCc3ccccc3C2)cc1,1,23.0,0.0
+Clc1ccc(SCCn2ccnc2)cc1,0,0.0,
+Clc1ccc(SCCn2cncn2)cc1,0,0.0,
+Clc1ccc(SCc2cc(-c3ccc(Cl)cc3)on2)cc1,0,16.0,
+Clc1ccc(SCc2cc(-c3ccccc3)no2)cc1,0,7.0,
+Clc1ccc(SCc2cc(-c3ccccc3)on2)cc1,0,1.0,
+Clc1ccc(SCc2cc(Cl)nc(-c3ccccc3)n2)cc1,0,0.0,
+Clc1ccc(SCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1,0,2.0,
+Clc1ccc(SCc2cn3ccccc3n2)cc1,0,0.0,
+Clc1ccc(SCc2cn3cccnc3n2)cc1,0,0.0,
+Clc1ccc(SCc2cn3ccsc3n2)cc1,0,3.0,
+Clc1ccc(SCc2nc3ccccc3[nH]2)cc1,0,3.0,
+Clc1ccc(Sc2cc(Cl)c(-c3ccccc3)nn2)cc1,0,8.0,
+Clc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1,0,0.0,
+Clc1ccc(Sc2ccc(/C=N/n3cnnc3)o2)cc1,0,0.0,
+Clc1ccc(Sc2cnc3ccccc3n2)cc1,0,3.0,
+Clc1ccc(Sc2oc(/C=N/n3cnnc3)cc2Br)cc1,0,4.0,
+Clc1ccc2[nH]c(-c3ccccc3)cc2c1,0,4.0,
+Clc1ccc2[nH]c3c(N4CCC5(CC4)OCCO5)ncnc3c2c1,0,6.0,
+Clc1ccc2[nH]c3c(NCC4CCCO4)ncnc3c2c1,0,5.0,
+Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1,0,5.0,
+Clc1ccc2[nH]c3c(NCCN4CCOCC4)ncnc3c2c1,0,6.0,
+Clc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3,0,0.0,
+Clc1ccc2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1,0,0.0,
+Clc1ccc2[nH]cc(-c3nnnn3-c3ccccc3)c2c1,0,0.0,
+Clc1ccc2c(Cl)c(-c3nnc(-c4ccccc4)o3)sc2c1,0,2.0,
+Clc1ccc2c(N/N=C/c3ccc(Br)cc3)ccnc2c1,0,0.0,
+Clc1ccc2c(N/N=C/c3cccc(Br)c3)ccnc2c1,0,3.0,
+Clc1ccc2c(N/N=C/c3ccccc3Br)ccnc2c1,0,3.0,
+Clc1ccc2c(N/N=C/c3cccnc3)ccnc2c1,0,0.0,
+Clc1ccc2c(N3CCCC3)ccnc2c1,0,15.0,
+Clc1ccc2c(N3CCNCC3)ccnc2c1,0,6.0,
+Clc1ccc2c(NCc3ccccn3)ncnc2c1,0,1.0,
+Clc1ccc2c(NCc3ccco3)ncnc2c1,0,0.0,
+Clc1ccc2c(NNc3ccccc3Cl)ccnc2c1,0,1.0,
+Clc1ccc2c(c1)-c1nnc(Br)n1-c1ccccc1S2,0,0.0,
+Clc1ccc2c(c1)C(C1=NCCN1)c1ccccc1CS2,0,2.0,
+Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,0,7.0,
+Clc1ccc2c(c1)C(N1CCNCC1)Cc1ccccc1S2,0,4.0,
+Clc1ccc2c(c1)C(OC1CN3CCC1CC3)c1ccccc1CS2,0,17.0,
+Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(Br)n1-2,0,9.0,
+Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(N3CCN(CCOc4ccccc4)CC3)n1-2,0,3.0,
+Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(N3CCN(CCSc4ccccc4)CC3)n1-2,0,4.0,
+Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nncn1-2,0,0.0,
+Clc1ccc2c(c1)C(c1cccs1)=NNC(c1cccnc1)=N2,0,7.0,
+Clc1ccc2c(c1)C1=C(C(c3ccncc3)O2)C(c2ccc(Br)cc2)n2ncnc2N1,0,4.0,
+Clc1ccc2c(c1)C1OCCC1C(c1ccco1)N2,0,0.0,
+Clc1ccc2c(c1)C=Nc1c(NCc3ccccc3)ncnc1O2,0,3.0,
+Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCCCC1)O2,0,8.0,
+Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2,0,0.0,
+Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,0,2.5,
+Clc1ccc2c(c1)CNc1c(ncnc1N1CCOCC1)O2,0,0.0,
+Clc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccco1)N2,0,0.0,
+Clc1ccc2c(c1)c1cc(Cl)ccc1n2CN1CCOCC1,0,0.0,
+Clc1ccc2c(c1)c1ccccc1n2CN1CCOCC1,0,0.0,
+Clc1ccc2nc(-c3ccc(Br)s3)cn2c1,0,9.0,
+Clc1ccc2nc(-c3ccc4c(c3)OCO4)cn2c1,0,3.0,
+Clc1ccc2nc(-c3ccccc3)c(CN3CCOCC3)n2c1,0,3.0,
+Clc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCO4)n2c1,0,9.0,
+Clc1ccc2nc(-c3ccncc3)cc(-c3ccccc3)c2c1,0,3.0,
+Clc1ccc2nc(C3CCN(Cc4ccccc4)CC3)[nH]c2c1,0,1.0,
+Clc1ccc2nc(C3CCN(Cc4nnnn4C4CCCCC4)CC3)[nH]c2c1,0,0.0,
+Clc1ccc2nc(CN3CCCCC3)cn2c1,0,0.0,
+Clc1ccc2nc(CN3CCCCCC3)cn2c1,0,2.0,
+Clc1ccc2nc(CN3CCCc4ccccc43)cn2c1,0,4.0,
+Clc1ccc2nc(CSCc3ccccc3)cn2c1,0,4.0,
+Clc1ccc2nc(CSc3ccccc3)cn2c1,0,0.0,
+Clc1ccc2nc(CSc3nc4ccccc4o3)cn2c1,0,8.0,
+Clc1ccc2nc(CSc3ncn[nH]3)cn2c1,0,0.0,
+Clc1ccc2nc(CSc3nnc4ccccn34)cn2c1,0,0.0,
+Clc1ccc2nc(CSc3nncn3-c3ccccc3)cn2c1,0,0.0,
+Clc1ccc2nc(N3CCCCC3)[nH]c2c1,0,2.0,
+Clc1ccc2nc(N3CCCCC3)sc2c1,0,0.0,
+Clc1ccc2nc(N3CCN(c4ccccc4)CC3)sc2c1,0,4.0,
+Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1,1,25.0,0.0
+Clc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1,0,10.0,
+Clc1ccc2nc3c(c(-c4ccccc4)c2c1)CNCC3,0,13.0,
+Clc1ccc2nc3c4ccccc4cnn3c2c1,0,5.0,
+Clc1ccc2nc3ccccn3c2c1,0,0.0,
+Clc1ccc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)c2c1,0,1.0,
+Clc1ccc2nnc(Cl)n2n1,0,4.0,
+Clc1ccc2nncn2n1,0,5.0,
+Clc1ccc2nnnc(-c3ccccc3)c2c1,0,2.0,
+Clc1ccc2noc(-c3ccccc3)c2c1,0,7.0,
+Clc1ccc2oc(-c3ccccc3)cc(=NCCCN3CCOCC3)c2c1,0,0.0,
+Clc1ccc2oc(-c3ccccc3)nc2c1,0,0.0,
+Clc1ccc2oc(-c3ccccn3)nc2c1,0,8.0,
+Clc1ccc2oc(-c3cccnc3)nc2c1,0,1.0,
+Clc1ccc2oc(-c3cccnc3NCc3ccccc3)nc2c1,0,2.0,
+Clc1ccc2oc3c(Cl)ncnc3c2c1,0,0.0,
+Clc1ccc2scc(CN3CCCCC3)c2c1,0,9.0,
+Clc1cccc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCCC4)c1,0,3.0,
+Clc1cccc(-c2cc3nc4c(c(N5CCNCC5)n3n2)CCCC4)c1,0,6.0,
+Clc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1,0,2.0,
+Clc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1,0,6.0,
+Clc1cccc(-c2ccc(/C=N/n3cnnc3)o2)c1,0,0.0,
+Clc1cccc(-c2ccc(/C=N/n3cnnc3)o2)c1Cl,0,3.0,
+Clc1cccc(-c2ccc(C=Nc3ccc(N4CCOCC4)cc3)o2)c1,0,2.0,
+Clc1cccc(-c2ccc(C=Nc3ccc(N4CCOCC4)cc3)o2)c1Cl,0,6.0,
+Clc1cccc(-c2ccc(CNCCCN3CCOCC3)o2)c1,0,7.0,
+Clc1cccc(-c2ccnc3nc(-n4cccc4)nn23)c1,0,2.0,
+Clc1cccc(-c2nc(-c3ccccn3)no2)c1,0,6.0,
+Clc1cccc(-c2nc(NCC3CCCO3)c3ccccc3n2)c1,0,0.0,
+Clc1cccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)c1,0,0.0,
+Clc1cccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)c1,0,1.0,
+Clc1cccc(-c2nc(NCc3cccnc3)c3ccccc3n2)c1,0,0.0,
+Clc1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)c1,0,10.0,
+Clc1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)c1,0,7.0,
+Clc1cccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1,0,7.0,
+Clc1cccc(-c2nnc(-c3ccccc3)o2)c1,0,11.0,
+Clc1cccc(-c2nnc(SC/C=C/c3ccccc3)n2Cc2ccco2)c1,1,26.0,
+Clc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1,0,14.0,
+Clc1cccc(-c2nnc3n2CCCCC3)c1,0,0.0,
+Clc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1,0,5.0,
+Clc1cccc(/C(Cc2nc3ccccc3[nH]2)=N\Nc2ccccc2)c1,0,1.0,
+Clc1cccc(/C=N/Nc2nc(Cl)nc3ccccc23)c1,0,2.0,
+Clc1cccc(/C=N/Nc2ncnc3ccccc23)c1,0,0.0,
+Clc1cccc(/C=N/Nc2nnc(Cl)c3ccccc23)c1,0,6.0,
+Clc1cccc(/C=N\Nc2nccs2)c1,0,0.0,
+Clc1cccc(C2CCN(Cc3nc(CC4CC4)no3)C2)c1,0,9.0,
+Clc1cccc(C2CCN(Cc3nc(COc4ccccc4)no3)C2)c1,0,12.0,
+Clc1cccc(C2NCCc3[nH]cnc32)c1,0,0.0,
+Clc1cccc(CN2CCC(Cc3ccccc3)CC2)c1,0,11.0,
+Clc1cccc(CN2CCCCC2c2cccnc2)c1,0,0.0,
+Clc1cccc(CN2CCCCCCC2)c1Cl,0,3.0,
+Clc1cccc(CN2CCN(Cc3nc(CCc4ccccc4)no3)CC2)c1,0,4.0,
+Clc1cccc(CN2CCN(c3nc4nonc4nc3NC3CC3)CC2)c1,0,11.0,
+Clc1cccc(CN2COc3c(cc(Cl)c4cccnc34)C2)c1,0,3.0,
+Clc1cccc(CNCCNCc2cccc(Cl)c2)c1,0,7.0,
+Clc1cccc(CNc2nnnn2-c2ccccc2)c1,0,0.0,
+Clc1cccc(CON/C=N/c2ncnc3sccc23)c1,0,0.0,
+Clc1cccc(COn2c(-c3ccc(Cl)cc3Cl)nc3ncccc32)c1,0,0.0,
+Clc1cccc(CSC2=NCCCN2)c1,0,0.0,
+Clc1cccc(CSc2ccc(-c3cccnc3)nn2)c1,0,2.0,
+Clc1cccc(CSc2ccc(-c3ccco3)nn2)c1,0,16.0,
+Clc1cccc(CSc2nc3ccncc3[nH]2)c1,0,0.0,
+Clc1cccc(CSc2nccn2-c2ccccc2)c1,0,0.0,
+Clc1cccc(CSc2ncn(-c3ccccc3)n2)c1,0,6.0,
+Clc1cccc(CSc2ncnn2Cc2cccc(Cl)c2)c1,0,0.0,
+Clc1cccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)c1,0,1.0,
+Clc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1,0,0.0,
+Clc1cccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1,0,8.0,
+Clc1cccc(CSc2nnc(-c3sccc3-n3cccc3)o2)c1,0,3.0,
+Clc1cccc(CSc2nnc([C@@H]3CCCN3)o2)c1,0,6.0,
+Clc1cccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)c1,0,15.0,
+Clc1cccc(Cc2ccc(Cl)nn2)c1,0,0.0,
+Clc1cccc(Cc2nn[nH]n2)c1,0,2.0,
+Clc1cccc(Cl)c1-c1nnc2ccc(N3CCOCC3)nn12,0,4.0,
+Clc1cccc(Cl)c1-c1nnc2cccc(Cl)n12,0,3.0,
+Clc1cccc(Cl)c1/C=C/c1nc2ccccc2[nH]1,0,0.0,
+Clc1cccc(Cl)c1/C=N\Nc1nccs1,0,0.0,
+Clc1cccc(Cl)c1C1N2CCCN12,0,0.0,
+Clc1cccc(Cl)c1CN1CCN(c2ccccc2)CC1,0,9.0,
+Clc1cccc(Cl)c1CNC1CCCC1,0,0.0,
+Clc1cccc(Cl)c1CNc1ccc(N2CCCC2)cc1,0,0.0,
+Clc1cccc(Cl)c1CO/N=C/c1c(-c2ccccc2)nc2n1CCS2,0,0.0,
+Clc1cccc(Cl)c1CON/C=N/c1ncnc2sccc12,0,7.0,
+Clc1cccc(Cl)c1COc1ccccc1CNn1cnnc1,0,5.0,
+Clc1cccc(Cl)c1COc1ccccn1,0,0.0,
+Clc1cccc(Cl)c1COc1ccncc1,0,0.0,
+Clc1cccc(Cl)c1COn1nnc2ccccc21,0,2.0,
+Clc1cccc(Cl)c1CSc1cc2c(nn1)-c1ccccc1CC2,0,0.0,
+Clc1cccc(Cl)c1CSc1nnc(-c2sccc2-n2cccc2)o1,0,2.0,
+Clc1cccc(Cl)c1CSc1nnc(/C=C/c2ccccc2)o1,1,23.0,0.0
+Clc1cccc(Cl)c1CSc1nnc(CN2CCOCC2)n1-c1ccccc1,0,5.0,
+Clc1cccc(Cl)c1CSc1nnc2ccccn12,0,12.0,
+Clc1cccc(Cl)c1Cn1c(-c2cccnc2Cl)nc2ccccc21,0,0.0,
+Clc1cccc(Cl)c1Cn1cc(Br)cn1,0,3.0,
+Clc1cccc(Cl)c1Cn1ccc(C2CC2)n1,0,7.0,
+Clc1cccc(Cl)c1Cn1cnc(=NCc2ccco2)c2[nH]cnc21,0,2.0,
+Clc1cccc(Cl)c1Cn1cnc2c(N3CCCCCC3)ncnc21,0,4.0,
+Clc1cccc(Cl)c1Cn1cnc2c(NCc3ccco3)ncnc21,0,1.0,
+Clc1cccc(Cl)c1Cn1nnc(-c2cccs2)n1,0,13.0,
+Clc1cccc(Cl)c1NC1=NCCC1,0,0.0,
+Clc1cccc(Cl)c1NC1=NCCN1,0,0.0,
+Clc1cccc(N/N=C(\Cc2nc3ccccc3[nH]2)c2ccccc2)c1,0,0.0,
+Clc1cccc(N/N=C/c2ccc(N3CCOCC3)cc2)c1,0,3.0,
+Clc1cccc(N/N=C/c2ccc(N3CCOCC3)s2)c1,0,0.0,
+Clc1cccc(N/N=C/c2ccncc2)c1,0,0.0,
+Clc1cccc(N2CCN(CCNc3nc4ccccc4n4cnnc34)CC2)c1,0,3.0,
+Clc1cccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1,0,7.0,
+Clc1cccc(N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)c1,0,12.0,
+Clc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1,0,7.0,
+Clc1cccc(N2CCNCC2)c1Cl,0,7.0,
+Clc1cccc(N2CCNCC2)n1,0,11.0,
+Clc1cccc(N=C(c2ccccc2)N2CCOCC2)c1,0,0.0,
+Clc1cccc(N=C(c2ccccc2Cl)N2CCOCC2)c1,0,0.0,
+Clc1cccc(N=C2NN=C(c3ccc4c(c3)OCCO4)CS2)c1,0,2.0,
+Clc1cccc(NC2=NCCC2)c1,0,0.0,
+Clc1cccc(NCc2ccccc2)n1,0,2.0,
+Clc1cccc(NCc2cn3cccnc3n2)c1,0,0.0,
+Clc1cccc(NCc2nnc(SCc3ccc(Cl)cc3Cl)o2)c1,0,4.0,
+Clc1cccc(NCc2nnc(SCc3ccccc3)o2)c1,0,0.0,
+Clc1cccc(NCc2nnc(SCc3ccccc3Cl)o2)c1,0,9.0,
+Clc1cccc(NCc2nnc3n2CCCCC3)c1,0,0.0,
+Clc1cccc(NCc2nnsc2Cl)c1,0,1.0,
+Clc1cccc(Nc2c3c(nc4ncnn24)CCC3)c1,0,1.0,
+Clc1cccc(Nc2nc(-c3cccnc3)cs2)c1,0,0.0,
+Clc1cccc(Nc2nc(-c3ccncc3)cs2)c1,0,0.0,
+Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1,0,9.0,
+Clc1cccc(OCCCN2CCCC2)c1Cl,0,9.0,
+Clc1cccc(OCCN2CCN(CCOc3cccc(Cl)c3)CC2)c1,1,21.0,0.0
+Clc1cccc(OCCN2CCNCC2)c1,0,2.0,
+Clc1cccc(OCCN2CCOCC2)c1,0,0.0,
+Clc1cccc(OCCn2cncn2)c1Cl,0,3.0,
+Clc1cccc(OCc2nc(-c3ccncc3)n[nH]2)c1,0,0.0,
+Clc1cccc(OCc2nc(-c3ccncc3)no2)c1,0,9.0,
+Clc1cccc(Oc2cnc3ccccc3n2)c1,0,0.0,
+Clc1cccc(Oc2cnns2)c1Cl,0,2.0,
+Clc1cccc(Oc2ncc(CN3CCOCC3)s2)c1,0,0.0,
+Clc1cccc(Oc2ncccn2)c1,0,9.0,
+Clc1cccc2c1CCN(Cc1nc(-c3cnccn3)no1)C2,0,0.0,
+Clc1cccc2c1Sc1ccccc1CC2N1CCNCC1,0,0.0,
+Clc1cccc2sc(-c3nnc(-c4ccccc4)o3)c(Cl)c12,0,12.0,
+Clc1cccc2sc(N3CCCC3)nc12,0,3.0,
+Clc1cccc2sc(N3CCCCC3)nc12,0,2.0,
+Clc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12,0,2.0,
+Clc1cccc2sc(N3CCOCC3)nc12,0,0.0,
+Clc1ccccc1-c1cc(COc2ccc3ccccc3c2)no1,1,25.0,0.0
+Clc1ccccc1-c1ccc(/C=N/Nc2nncc(-c3ccccc3)n2)o1,0,1.0,
+Clc1ccccc1-c1ccc(/C=N/n2cnnc2)o1,0,11.0,
+Clc1ccccc1-c1ccc(CN2CCN(c3ccccc3)CC2)o1,1,22.0,
+Clc1ccccc1-c1nc(-c2ccccc2)n[nH]1,0,0.0,
+Clc1ccccc1-c1nc(-c2cccnc2)no1,0,9.0,
+Clc1ccccc1-c1nc(/C=N/N2CCOCC2)c2ccccn12,0,0.0,
+Clc1ccccc1-c1nc(N/N=C/c2cccnc2)c2ccccc2n1,0,0.0,
+Clc1ccccc1-c1nc2ccccc2c2nc3ccccc3n12,0,0.0,
+Clc1ccccc1-c1nc2ccccc2c2nncn12,0,1.0,
+Clc1ccccc1-c1nc2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2,0,3.0,
+Clc1ccccc1-c1ncc2ccccn12,0,0.0,
+Clc1ccccc1-c1ncnc2ccc(Br)cc12,0,11.0,
+Clc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1,0,5.0,
+Clc1ccccc1-c1nn2c(-c3ccncc3)nnc2s1,0,0.0,
+Clc1ccccc1-c1nn2c(COc3ccccc3)nnc2s1,0,11.0,
+Clc1ccccc1-c1nn2c(Cn3cnc4ccccc43)nnc2s1,0,11.0,
+Clc1ccccc1-c1nnc(-c2ccc3c(c2)OCO3)o1,0,9.0,
+Clc1ccccc1-c1nnc(-c2ccccc2Cl)o1,0,4.0,
+Clc1ccccc1-c1nnc(-c2cccs2)o1,0,8.0,
+Clc1ccccc1-c1nnc(CNC2CC2)o1,0,0.0,
+Clc1ccccc1-c1nnc2sc(-c3ccc(Br)o3)nn12,0,0.0,
+Clc1ccccc1-c1nnc2sc(-c3ccc4c(c3)OCO4)nn12,0,10.0,
+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)nn12,0,4.0,
+Clc1ccccc1-c1nnc2sc(CCc3ccccc3)nn12,0,5.0,
+Clc1ccccc1-c1nnn(Cc2ccc(-c3nn[nH]n3)cc2)n1,0,5.0,
+Clc1ccccc1/C=C/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,1.0,
+Clc1ccccc1/C=N/NC1=Nc2cccc3cccc1c23,0,5.0,
+Clc1ccccc1/C=N/Nc1nc2c(s1)CCCC2,0,0.0,
+Clc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1,0,4.0,
+Clc1ccccc1C(=Nc1cccc(Br)c1)N1CCOCC1,0,0.0,
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,0,10.0,
+Clc1ccccc1C(c1nnnn1Cc1ccco1)N1CCN(Cc2ccco2)CC1,0,6.0,
+Clc1ccccc1C1=CC(c2ccco2)n2nnnc2N1,0,3.0,
+Clc1ccccc1C1=Nn2c(nnc2-c2ccncc2)SC1,0,2.0,
+Clc1ccccc1C1CC(c2ccccc2)Nc2ncnn21,0,0.0,
+Clc1ccccc1C1NCc2ccccc2-n2cccc21,0,4.0,
+Clc1ccccc1C1SCC2Nc3ccccc3CN21,0,0.0,
+Clc1ccccc1CN(Cc1ccccc1)C(c1cccs1)c1nnnn1C1CCCC1,0,1.0,
+Clc1ccccc1CN(Cc1ccccc1)c1ncnc2nc[nH]c12,0,0.0,
+Clc1ccccc1CN(Cc1ccco1)Cc1nnnn1C1CCCC1,0,6.0,
+Clc1ccccc1CN1CCC(Cc2ccccc2)CC1,0,0.0,
+Clc1ccccc1CN1CCN(/N=C/C=C\c2ccco2)CC1,0,0.0,
+Clc1ccccc1CN1CCN(/N=C/c2ccncc2)CC1,0,0.0,
+Clc1ccccc1CN1CCN(CCCc2ccccc2)CC1,0,16.0,
+Clc1ccccc1CN1CCN(c2ccccc2)CC1,0,4.0,
+Clc1ccccc1CN1CCN(c2ccccc2Cl)CC1,0,16.0,
+Clc1ccccc1CN1CCc2sccc2C1,0,4.0,
+Clc1ccccc1CNC1CN2CCC1CC2,0,0.0,
+Clc1ccccc1CNCc1ccncc1,0,0.0,
+Clc1ccccc1CNc1ncnc2nc[nH]c12,0,3.0,
+Clc1ccccc1CO/N=C1\CCCc2nonc21,0,0.0,
+Clc1ccccc1CONc1ncnc2nonc12,0,0.0,
+Clc1ccccc1COc1ccc(/C=N/n2cnnc2)cc1,0,0.0,
+Clc1ccccc1COc1ccccc1-c1nnco1,0,0.0,
+Clc1ccccc1CSC1=NCCCN1,0,0.0,
+Clc1ccccc1CSC1=NCCN1,0,3.0,
+Clc1ccccc1CSc1cc2c(nn1)-c1ccccc1CC2,1,22.0,0.0
+Clc1ccccc1CSc1cn2c(n1)CCC2,0,0.0,
+Clc1ccccc1CSc1nc2ccncc2[nH]1,0,0.0,
+Clc1ccccc1CSc1ncccn1,0,4.0,
+Clc1ccccc1CSc1ncn(-c2ccccc2)n1,0,8.0,
+Clc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1,0,6.0,
+Clc1ccccc1CSc1nnc(-c2cccnc2)n1Cc1ccco1,0,7.0,
+Clc1ccccc1CSc1nnc(-c2ccco2)c(-c2ccco2)n1,0,0.0,
+Clc1ccccc1CSc1nnc(-c2ccncc2)o1,0,2.0,
+Clc1ccccc1CSc1nnc(/C=C/c2ccccc2)o1,0,10.0,
+Clc1ccccc1CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1,0,0.0,
+Clc1ccccc1CSc1nncn1-c1cccnc1,0,3.0,
+Clc1ccccc1CSc1nncn1NC/C=C/c1ccccc1,0,6.0,
+Clc1ccccc1CSc1snnc1-c1ccccc1,0,7.0,
+Clc1ccccc1Cc1noc(CN2CCCCC2CCc2ccccn2)n1,0,0.0,
+Clc1ccccc1Cc1noc(CN2CCCCC2c2ccccn2)n1,0,0.0,
+Clc1ccccc1Cc1noc(CN2CCN(Cc3ccccn3)CC2)n1,0,0.0,
+Clc1ccccc1Cc1noc(CN2CCN(c3cnccn3)CC2)n1,0,0.0,
+Clc1ccccc1Cc1noc(CN2CCN3CCCC3C2)n1,0,0.0,
+Clc1ccccc1Cc1noc(CN2CCSCC2)n1,0,8.0,
+Clc1ccccc1Cn1c(/C=C/c2ccco2)nc2ccccc21,0,8.0,
+Clc1ccccc1Cn1nc(-c2ccccc2)nc1-c1ccccc1,0,3.0,
+Clc1ccccc1Cn1nnc(-c2ccccc2)n1,0,0.0,
+Clc1ccccc1Cn1nnc(-c2cccs2)n1,0,2.0,
+Clc1ccccc1Cn1nnc2c(N3CCCC3)ncnc21,0,7.0,
+Clc1ccccc1Cn1nnc2c(N3CCOCC3)nc(C3CC3)nc21,0,4.0,
+Clc1ccccc1Cn1nnc2c(NCC3CC3)ncnc21,0,1.0,
+Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc21,0,5.0,
+Clc1ccccc1Cn1nnc2c(Nc3ccccc3)ncnc21,0,7.0,
+Clc1ccccc1N/N=C/c1ccc2c(c1)OCO2,0,3.0,
+Clc1ccccc1N1CCN(c2ncnc3nc[nH]c23)CC1,0,0.0,
+Clc1ccccc1N=C1NN=C(c2cccs2)CS1,0,0.0,
+Clc1ccccc1Nc1c2c(nc3ncnn13)CCC2,0,3.0,
+Clc1ccccc1Nc1nc(-c2cccnc2)cs1,0,0.0,
+Clc1ccccc1Nc1ncnc(-n2cccc2)n1,0,7.0,
+Clc1ccccc1Nc1ncnc2c1nnn2Cc1ccccc1,0,10.0,
+Clc1ccccc1Nc1nnc(-c2ccncc2)s1,0,0.0,
+Clc1ccccc1OCCCCN1CCCC1,0,4.0,
+Clc1ccccc1OCCCCn1ccnc1,0,1.0,
+Clc1ccccc1OCCN1CCC(Cc2ccccc2)CC1,0,7.0,
+Clc1ccccc1OCCN1CCCCC1,0,3.0,
+Clc1ccccc1OCCn1cccc1/C=N/Nc1nc2ccccc2s1,0,3.0,
+Clc1ccccc1OCCn1ccnc1,0,0.0,
+Clc1ccccc1OCCn1cnc2ccccc21,0,0.0,
+Clc1ccccc1OCc1nc(-c2ccc(Br)o2)no1,0,0.0,
+Clc1ccccc1OCc1nc(-c2ccccn2)no1,0,0.0,
+Clc1ccccc1OCc1nc(-c2ccncc2)no1,0,0.0,
+Clc1ccccc1OCc1nn2c(-c3ccncc3)nnc2s1,0,4.0,
+Clc1ccccc1OCc1nnc(-c2ccccc2)o1,0,0.0,
+Clc1ccccc1OCc1nnc(-c2ccccc2Br)o1,0,0.0,
+Clc1ccccc1Oc1cnc2ccccc2n1,0,4.0,
+Clc1ccccc1SCc1nc2ccccc2[nH]1,0,0.0,
+Clc1ccccc1Sc1cnc2ccccc2n1,0,0.0,
+Clc1ccsc1-c1ccc2ccccc2n1,0,0.0,
+Clc1ccsc1-c1ccnc(-n2cccc2)n1,0,9.0,
+Clc1ccsc1-c1csc(-c2cccnc2)n1,0,3.0,
+Clc1cnc(N/N=C/c2ccco2)c(Cl)c1,0,0.0,
+Clc1cnc(N/N=C/c2cccs2)c(Cl)c1,0,0.0,
+Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1,0,0.0,
+Clc1cncc(Cl)c1N/N=C/c1ccncc1,0,1.0,
+Clc1cncc(Cl)c1NNc1c2ccccc2nc2ccccc12,0,0.0,
+Clc1n[nH]nc1-c1nn[nH]n1,0,8.0,
+Clc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1,0,5.0,
+Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1,0,1.0,
+Clc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12,0,3.0,
+Clc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12,0,4.0,
+Clc1nc(-c2n[nH]nc2Cl)n[nH]1,0,0.0,
+Clc1nc(CN2CCCCC2)nc2sc3c(c12)CCC3,0,0.0,
+Clc1nc(CN2CCCCC2)nc2sc3c(c12)CCCC3,0,5.0,
+Clc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3,0,0.0,
+Clc1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1,0,0.0,
+Clc1nc(Cl)nc(NCCC2=CCCCC2)n1,0,3.0,
+Clc1nc(NCCN2CCOCC2)nc(NCc2ccccc2)n1,0,1.0,
+Clc1nc(NCc2cccnc2)nc(N2CCOCC2)n1,0,6.0,
+Clc1nc(NCc2ccco2)nc(N2CCCCC2)n1,0,4.0,
+Clc1nc(Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1,0,3.0,
+Clc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1,0,0.0,
+Clc1nc2ccccc2cc1-c1nnn(-c2ccccc2)n1,0,2.0,
+Clc1nc2ccccc2cc1/C=N/Nc1nc2ccccc2[nH]1,0,4.0,
+Clc1nc2sccn2c1/C=N/n1cnc2ccccc21,0,2.0,
+Clc1ncc(CN2CCN(Cc3ccccc3)CC2)s1,0,1.0,
+Clc1ncc(CN2CCN(c3ccccc3)CC2)s1,0,0.0,
+Clc1ncc(COc2ccc(Cl)c3cccnc23)s1,0,0.0,
+Clc1ncc(COc2cccc3cccnc23)s1,0,0.0,
+Clc1ncc(CSc2ccccc2)s1,0,0.0,
+Clc1ncc(Cn2cccn2)s1,0,0.0,
+Clc1ncc2[nH]cnc2n1,0,0.0,
+Clc1ncccc1-c1nc2ccccc2n1Cc1ccccc1,0,3.0,
+Clc1ncccc1-c1nc2ccccc2s1,0,1.0,
+Clc1ncccc1-c1nnn(-c2ccccc2)n1,0,4.0,
+Clc1ncccc1-c1nnn(-c2ccccc2Br)n1,0,0.0,
+Clc1nccnc1-c1ccccc1,0,0.0,
+Clc1ncn(C23CC4CC(CC(C4)C2)C3)n1,0,1.0,
+Clc1ncn(CCOc2ccccc2)c1Cl,0,7.0,
+Clc1ncnc2c1oc1ccccc12,0,0.0,
+Clc1ncnc2scc(-c3ccc(Br)cc3)c12,0,11.0,
+Clc1ncnc2scc(-c3ccccc3)c12,0,0.0,
+Clc1ncnc2scc(C3COc4ccccc4O3)c12,0,0.0,
+Clc1nn2cnnc2c2ccccc12,0,4.0,
+Clc1nnc(N/N=C/c2ccccc2)c2ccccc12,0,3.0,
+Clc1nnc(N2CCCCC2)c2ccccc12,0,7.0,
+Clc1nnc(NN=C2CCCC2)c2ccccc12,0,0.0,
+Clc1nnc2ccc(-c3ccccc3)nn12,0,7.0,
+Clc1nssc1=Nc1ccc(Br)cc1,0,2.0,
+Clc1nssc1=Nc1ccccc1,0,0.0,
+Clc1ss/c(=N\c2ccccn2)c1Cl,0,0.0,
+Cn1/c(=N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2ccccc21,0,0.0,
+Cn1/c(=N/N=C/c2ccc(N3CCOCC3)cc2)sc2ccccc21,0,11.0,
+Cn1/c(=N/N=C/c2ccc([N+](=O)[O-])cc2)sc2ccccc21,0,0.0,
+Cn1/c(=N/N=C/c2ccccn2)sc2ccccc21,0,0.0,
+Cn1/c(=N/NC(=O)c2cccc(OC(F)F)c2)sc2ccccc21,0,0.0,
+Cn1/c(=N/NC(=O)c2ccccc2Br)sc2ccccc21,0,1.0,
+Cn1/c(=N/NC(=O)c2ccccc2F)sc2ccccc21,0,0.0,
+Cn1/c(=N\NC(=O)C2CCCCC2)sc2ccccc21,0,0.0,
+Cn1/c(=N\NC(=O)c2ccccc2Cl)sc2ccccc21,0,0.0,
+Cn1[nH]c(-c2ccccc2)c(/C=N/O)c1=O,0,2.0,
+Cn1[nH]c(=O)c(Cl)c(Cl)c1=O,0,1.0,
+Cn1[nH]c(=O)c2ccccc2c1=O,0,0.0,
+Cn1[nH]c(C(F)(F)F)c(C=NCc2ccc(Cl)cc2)c1=O,0,14.0,
+Cn1[nH]c(C(F)(F)F)c(C=Nc2ccc(Cl)cc2)c1=O,0,0.0,
+Cn1[nH]c(C(F)(F)F)cc1=O,0,0.0,
+Cn1[nH]c(CSc2ccc(Cl)cc2)cc1=O,0,0.0,
+Cn1c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)nc2c([N+](=O)[O-])cccc21,0,16.0,
+Cn1c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)nc2cc([N+](=O)[O-])ccc21,0,7.0,
+Cn1c(-c2c(N)n(-c3ccccc3)c3nc4ccccc4nc23)nc2ccccc21,0,3.0,
+Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21,0,0.0,
+Cn1c(-c2c(N)n(CCCc3ccccc3)c3nc4ccccc4nc23)nc2ccccc21,0,0.0,
+Cn1c(-c2c(N)n(CCc3ccccc3)c3nc4ccccc4nc23)nc2ccccc21,0,1.0,
+Cn1c(-c2cc(Br)ccc2O)n[nH]c1=S,0,0.0,
+Cn1c(-c2cc(Cl)ccc2O)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,0,0.0,
+Cn1c(-c2cc3c(C(F)(F)F)nn(C)c3s2)n[nH]c1=S,0,7.0,
+Cn1c(-c2cc3ccc(OC(=O)C(C)(C)C)cc3oc2=O)nc2ccccc21,0,0.0,
+Cn1c(-c2ccc(-c3ccccc3)cc2)c[nH]c1=S,0,0.0,
+Cn1c(-c2ccc(=O)[nH]c2)nc2ccccc21,0,0.0,
+Cn1c(-c2ccc(Br)cc2)cnc1NCc1cccnc1,0,3.0,
+Cn1c(-c2ccc(Br)o2)nc2cc(Br)ccc21,0,9.0,
+Cn1c(-c2ccc(Br)o2)nc2ccccc21,0,6.0,
+Cn1c(-c2ccc(C(=O)c3ccccc3)s2)nc2ccccc21,0,2.0,
+Cn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S,0,8.0,
+Cn1c(-c2ccc(C=O)s2)nc2c3ccccc3c3ccccc3c21,0,0.0,
+Cn1c(-c2ccc(C=O)s2)nc2ccccc21,0,7.0,
+Cn1c(-c2ccc(CN3CCCCC3)o2)nc2ccccc21,0,2.0,
+Cn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O,0,17.0,
+Cn1c(-c2ccc(Cl)cc2)cnc1N,0,1.0,
+Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cc2c(cc1[N+](=O)[O-])OCO2,0,0.0,
+Cn1c(-c2ccc(F)cc2)cnc1NCc1cc2c(cc1[N+](=O)[O-])OCO2,0,6.0,
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+Cn1nnnc1SCc1nnc(-c2ccccc2Br)o1,0,0.0,
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+Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1Cl,0,1.0,
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+Cn1nnnc1Sc1ncnc2scc(-c3ccccc3)c12,0,0.0,
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+FC(F)(F)C1=CC(c2ccc(Cl)cc2)=NCCN1,0,4.0,
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+FC(F)(F)c1nc2ccccc2nc1N/N=C\c1ccccc1,0,0.0,
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+FC(F)(F)c1nc2nncn2c2c1CCCCC2,0,2.0,
+FC(F)(F)c1nnc(-c2ccccc2)nc1N1CCCC1,0,1.0,
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+FC(F)(F)c1nnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1Cl,0,0.0,
+FC(F)(F)c1nnc(-c2ccccc2)nc1Oc1ccccc1,0,2.0,
+FC(F)(F)c1nnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1,0,0.0,
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+FC(F)(F)c1nnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1,0,16.0,
+FC(F)(F)c1nnc(N2CCN(Cc3ccccc3)CC2)s1,0,15.0,
+FC(F)(F)c1nnc(N2CCN(c3ccccn3)CC2)s1,0,0.0,
+FC(F)(F)c1nnc2c(Sc3ccc(Cl)cc3)nc3ccccc3n12,0,0.0,
+FC(F)(F)c1nnc2c(Sc3ccccc3)nc3ccc(Cl)cc3n12,0,0.0,
+FC(F)(F)c1nnc2c(Sc3ccccc3)nc3ccccc3n12,0,0.0,
+FC(F)(F)c1nnc2c(Sc3ccccn3)nc3ccccc3n12,0,2.0,
+FC(F)(F)c1nnc2ccc(-n3ccnc3)nn12,0,0.0,
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+FC(F)(F)c1nnc2ccc(N3CCCC3)nn12,0,0.0,
+FC(F)(F)c1nnc2ccc(N3CCCCCC3)nn12,0,1.0,
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+FC(F)(F)c1nnc2ccc(Sc3ccccn3)nn12,0,0.0,
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+FC(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1,0,0.0,
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+FC(F)C(F)(F)C1=CC(c2cccs2)=NCCN1,0,6.0,
+FC(F)Oc1ccc(-c2csc(=Nc3cccnc3)n2CC2CCCO2)cc1,0,8.0,
+FC(F)Oc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1,0,2.0,
+FC(F)Oc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1,0,1.0,
+FC(F)Oc1ccc(/C=N/N2CCCCC2)c(OC(F)F)c1,0,0.0,
+FC(F)Oc1ccc(/C=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1,0,3.0,
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+FC(F)Oc1ccc(NC(=S)NCC2COc3ccccc3O2)cc1,0,9.0,
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+FC(F)Oc1ccc(NC(=S)NCc2ccccc2)cc1Cl,0,0.0,
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+FC(F)Oc1ccc(NC(=S)NCc2ccco2)cc1Cl,0,0.0,
+FC(F)Oc1ccc(NC(=S)NCc2nc3ccccc3[nH]2)cc1,0,0.0,
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+FC(F)Oc1ccc(NC(=S)NNc2ccnc3cc(Cl)ccc23)cc1,0,1.0,
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+FC(F)Oc1cccc(NC(=S)N2CCN(c3ccccn3)CC2)c1,0,0.0,
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+FC(F)Oc1ccccc1/C=N/n1cnc2ccccc21,0,1.0,
+FC(F)Oc1ccccc1C1CC(c2ccc(Br)s2)Nc2ncnn21,0,13.0,
+FC(F)Oc1ccccc1NC(=S)NCc1ccco1,0,0.0,
+FC(F)Oc1ccccc1NC(=S)Nc1cccc(Cl)c1Cl,0,4.0,
+FC(F)Oc1ccccc1NC(=S)Nc1cccnc1,0,3.0,
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+Fc1ccc(-n2[nH]nnc2=S)cc1N1CCCC1,0,6.0,
+Fc1ccc(-n2c(-c3ccc4c(c3)OCO4)n[nH]c2=S)cc1Cl,0,7.0,
+Fc1ccc(-n2c(-c3ccc4ccccc4n3)n[nH]c2=S)cc1,0,4.0,
+Fc1ccc(-n2c(-c3ccc4ccccc4n3)n[nH]c2=S)cc1Cl,0,0.0,
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+Fc1ccc2c(c1)nnn2C1CCN(Cc2c(Cl)cccc2Cl)CC1,0,0.0,
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+Fc1ccccc1-c1n[nH]c(=S)n1CC1CCCO1,0,2.0,
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+Fc1ccccc1-c1nc2ncccc2o1,0,1.0,
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+Fc1ccccc1-n1[nH]nnc1=S,0,0.0,
+Fc1ccccc1-n1c(-c2ccc3ccccc3n2)n[nH]c1=S,0,16.0,
+Fc1ccccc1-n1cc(-c2ccccc2)[nH]c1=S,0,5.0,
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+Fc1ccccc1/C=C/c1ccc2ccccc2n1,0,0.0,
+Fc1ccccc1/C=C1\CCCC2=C1NC(=S)NC2c1ccccc1F,0,5.0,
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+Fc1ccccc1/C=C1\CCCC2=C1Nc1nnnn1C2c1ccccc1F,0,0.0,
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+Fc1ccccc1C1CCN(Cc2nc(CC3CC3)no2)C1,0,3.0,
+Fc1ccccc1C1CCN(Cc2nc(COc3ccccc3)no2)C1,0,6.0,
+Fc1ccccc1C1c2[nH]c3ccccc3c2CCN1CCCn1cccn1,0,4.0,
+Fc1ccccc1C1c2[nH]c3ccccc3c2CCN1Cc1cccn1-c1ncccn1,1,29.0,0.0
+Fc1ccccc1C1c2[nH]c3ccccc3c2CCN1Cc1ccoc1,0,5.0,
+Fc1ccccc1C1c2cccn2CCN1C(=S)Nc1ccc(Br)cc1,0,0.0,
+Fc1ccccc1C1c2cccn2CCN1C(=S)Nc1cccc(Br)c1,0,0.0,
+Fc1ccccc1CCNCc1cccc(Cl)c1Cl,0,3.0,
+Fc1ccccc1CCNCc1cccc2ccccc12,0,4.0,
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+Fc1ccccc1CNC1CN2CCC1CC2,0,8.0,
+Fc1ccccc1CNCCC(Cc1ccccc1)c1ccc2c(c1)OCO2,0,10.0,
+Fc1ccccc1CNc1cc(Cl)cc(Cl)c1,0,4.0,
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+Fc1ccccc1COc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1,0,0.0,
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+Fc1ccccc1COc1ccc(Br)cc1CNCC1CCCO1,0,12.0,
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+Fc1ccccc1COc1cccc(/C=N/n2cnnc2)c1,0,3.0,
+Fc1ccccc1COc1ccccc1/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1,0,4.0,
+Fc1ccccc1COc1ccccc1CNCc1ccncc1,0,7.0,
+Fc1ccccc1CSCc1nc2ccccc2[nH]1,0,5.0,
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+Fc1ccccc1CSc1ncnc2sc3c(c12)CCCC3,0,3.0,
+Fc1ccccc1CSc1nnc(-c2ccccc2)o1,1,29.0,0.0
+Fc1ccccc1CSc1nnc(-c2cccnc2)o1,0,0.0,
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+Fc1ccccc1Cc1noc(CN2CCN(c3ccc(Cl)cn3)CC2)n1,0,5.0,
+Fc1ccccc1Cn1c2[n+](c3ccc(C(F)(F)F)cc31)CCCCC2,0,1.0,
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+Fc1ccccc1Cn1nnc2c(NCCc3ccccn3)ncnc21,0,3.0,
+Fc1ccccc1Cn1nnc2c(NCc3ccccn3)ncnc21,0,0.0,
+Fc1ccccc1N1CC(c2ccccc2)C(c2cccs2)=N1,0,0.0,
+Fc1ccccc1N1CCN(C(c2ccccn2)c2nnnn2C2CCCCC2)CC1,0,0.0,
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+Fc1ccccc1N1CCN(CC2CC3C=CC2C3)CC1,0,5.0,
+Fc1ccccc1N1CCN(CCCNc2ccc3nncn3n2)CC1,0,1.0,
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+Fc1ccccc1N1CCN(Cc2cccnc2)CC1,0,0.0,
+Fc1ccccc1N1CCN(Cc2cnc(Cl)s2)CC1,0,3.0,
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+Fc1ccccc1NC(=S)N(CCN1CCCCCC1)Cc1cccs1,0,10.0,
+Fc1ccccc1NC(=S)N/N=C/c1ccccc1Br,0,3.0,
+Fc1ccccc1NC(=S)N1CCC(c2ccccc2)C1,0,2.0,
+Fc1ccccc1NC(=S)N1CCCCC1,0,0.0,
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+Fc1ccccc1NC(=S)N1CCN(c2ccccn2)CC1,0,0.0,
+Fc1ccccc1NC(=S)NCCc1ccccc1,0,0.0,
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+Fc1ccccc1NC(=S)NN(Cc1ccccc1)c1ccccc1,0,0.0,
+Fc1ccccc1NC(=S)NNc1ncc(C(F)(F)F)cc1Cl,0,0.0,
+Fc1ccccc1NC(=S)Nc1ccc(Br)cc1,0,0.0,
+Fc1ccccc1NC(=S)Nc1ccc(CN2CCOCC2)cc1,0,5.0,
+Fc1ccccc1NC(=S)Nc1cccc2cnccc12,0,0.0,
+Fc1ccccc1NC(=S)Nc1cccnc1,0,1.0,
+Fc1ccccc1Nc1n[nH]c(=S)s1,0,12.0,
+Fc1ccccc1Nc1nc(-c2ccncc2)nc2ccccc12,0,4.0,
+Fc1ccccc1Nc1nc(Cl)nc(Cl)n1,0,0.0,
+Fc1ccccc1Nc1nc(NCc2ccco2)nc(N2CCOCC2)n1,0,5.0,
+Fc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2,0,8.0,
+Fc1ccccc1Nc1nc2ccccc2n2nnnc12,0,11.0,
+Fc1ccccc1OCC1CCCN(Cc2nc(CC3CC3)no2)C1,0,14.0,
+Fc1ccccc1OCCCCCCN1CCCC1,0,4.0,
+Fc1ccccc1OCCCCCN1CCCC1,0,4.0,
+Fc1ccccc1OCCCCSc1ncccn1,0,2.0,
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+Fc1ccccc1OCCSc1nc2ccccc2o1,0,6.0,
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+Fc1ccccc1OCCSc1nnnn1-c1ccccc1,0,7.0,
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+Fc1cnc(N2CCc3ccccc32)nc1N1CCc2ccccc21,0,5.0,
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+N#C/C(=C(/O)CCCl)c1ccccn1,0,0.0,
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+N#CCSc1nnc(COc2ccc3ccccc3c2)o1,0,5.0,
+N#CCSc1nnc(COc2cccc3ccccc23)n1-c1cccc(Cl)c1,0,0.0,
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+N#CCSc1nnc(COc2ccccc2)n1-c1ccccc1,0,0.0,
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+N#CCSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1,0,6.0,
+N#CCSc1nnc(Cc2cccs2)n1C1CCCCC1,0,1.0,
+N#CCSc1nnc(N)s1,0,0.0,
+N#CCSc1nnc(Nc2ccccc2)s1,0,0.0,
+N#CCSc1nnc2c(Cl)cc(Cl)cn12,0,7.0,
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+N#C[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2C2c3ccccc3C=CN21,0,0.0,
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+N#Cc1c(/N=C/N2CCCC2)oc(-c2ccccc2)c1-c1ccccc1,0,6.0,
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+N#Cc1c(/N=C/c2c(O)n(Cc3ccco3)c(=O)[nH]c2=O)sc2c1CCCC2,0,5.0,
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+N#Cc1cn(OCc2ccccc2)c(=O)[nH]c1=O,0,0.0,
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+N#Cc1cnc(NN)nc1,0,3.0,
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+N/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1ccncc1,0,1.0,
+N/C(=N\OCc1ccccc1)c1nonc1N,0,0.0,
+N/C(=N\OS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccncc1,0,5.0,
+N/C(=N\OS(=O)(=O)c1ccc(Br)cc1)c1ccncc1,0,1.0,
+N/C(=N\OS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1,0,2.0,
+N/C(=N\OS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1,0,1.0,
+N/C(=N\OS(=O)(=O)c1ccc(Cl)cc1)c1ccncc1,0,3.0,
+N/C(=N\OS(=O)(=O)c1ccc2ccccc2c1)c1ccccn1,0,14.0,
+N/C(=N\OS(=O)(=O)c1ccc2ccccc2c1)c1cccnc1,0,19.0,
+N/C(=N\OS(=O)(=O)c1ccc2ccccc2c1)c1ccncc1,0,10.0,
+N/C(=N\OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1,0,0.0,
+N/C(=N\OS(=O)(=O)c1ccccc1)c1ccccn1,0,5.0,
+N/C(=N\OS(=O)(=O)c1ccccc1)c1cccnc1,0,0.0,
+N/C(=N\OS(=O)(=O)c1ccccc1)c1ccncc1,0,2.0,
+N/C(=N\S(=O)(=O)c1ccc(Cl)s1)c1ccccc1,0,0.0,
+N/C(=N\S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1,0,1.0,
+N/C(=N\S(=O)(=O)c1cccs1)c1ccccc1,0,6.0,
+N/C(=N\[N+](=O)[O-])N/N=C/c1ccc(O)cc1,0,0.0,
+N/C(=N\[N+](=O)[O-])N1CCN(C(=O)c2ccccc2)CC1,0,0.0,
+N/C(=N\[N+](=O)[O-])NCCCC(NC(=O)CNC(=O)c1ccccc1)C(=O)O,0,11.0,
+N/C(=N\c1nc(C(F)(F)F)cc(=O)[nH]1)Nc1ccc(Cl)cc1,0,9.0,
+N/C(=N\c1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1)Nc1cccc2ccccc12,0,0.0,
+N/C(=N\c1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1)Nc1ccccc1C(F)(F)F,0,1.0,
+N/C(=N\c1nc(CSc2nnnn2-c2ccccc2)cc(=O)[nH]1)Nc1ccccc1,0,1.0,
+N/C(=N\c1nc2c(c(=O)[nH]1)CCC2)Nc1cccc(Cl)c1,0,0.0,
+N/C(=N\c1nc2c(c(=O)[nH]1)CCC2)Nc1cccc2ccccc12,0,0.0,
+N/C(=N\c1nc2c(c(=O)[nH]1)CCC2)Nc1ccccc1,0,0.0,
+N/C(=N\c1nc2c(c(=O)[nH]1)CCC2)Nc1ccccc1C(F)(F)F,0,3.0,
+N/C(=N\c1nc2c(c(=O)[nH]1)CCCC2)Nc1ccc(Oc2ccccc2)cc1,0,2.0,
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+N/C(=N\c1nc2c(c(=O)[nH]1)CCCC2)Nc1ccccc1Sc1ccccc1,0,5.0,
+N/C(=N\c1nc2ccccc2o1)NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,0,0.0,
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+N/C(=N\c1nc2ccccc2o1)NC(=O)c1ccc(F)cc1,0,0.0,
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+N/C(=N\c1nc2ccccc2o1)NC(=O)c1ccccc1NC(=O)c1ccccc1,0,1.0,
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+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(CN1CCCC1=O)=N\OC(=O)c1ccc(Cl)c(Cl)c1,0,0.0,
+N/C(CN1CCCC1=O)=N\OC(=O)c1ccc(Cl)cc1,0,0.0,
+N/C(CN1CCCC1=O)=N\OC(=O)c1ccccc1Cl,0,0.0,
+N/C(COc1ccc(C(=O)O)cc1)=N\O,0,4.0,
+N/C(COc1ccc(Cl)cc1)=N\NS(=O)(=O)c1ccccc1,0,2.0,
+N/C(COc1ccc(Cl)cc1Cl)=N\NS(=O)(=O)c1ccccc1,0,7.0,
+N/C(COc1ccc(F)cc1)=N\NC(=O)c1cccnc1Oc1ccccc1,0,0.0,
+N/C(COc1cccc(C(F)(F)F)c1)=N\NC(=O)c1cccnc1Oc1ccccc1,0,0.0,
+N/C(COc1cccc(Cl)c1)=N\NS(=O)(=O)c1ccccc1,0,0.0,
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+N/C(COc1ccccc1)=N\NS(=O)(=O)c1ccccc1,0,2.0,
+N/C(COc1ncn(-c2ccccc2)n1)=N\S(=O)(=O)c1ccc(Cl)cc1Cl,0,6.0,
+N/C(COc1ncn(-c2ccccc2)n1)=N\S(=O)(=O)c1ccccc1,0,0.0,
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+N/C(Cc1ccc(Cl)c(Cl)c1)=N\OC(=O)c1cccs1,0,0.0,
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+N/C(Cc1ccc(Cl)cc1)=N\OC(=O)Cc1ccc([N+](=O)[O-])cc1,0,4.0,
+N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1ccc2ccccc2c1,0,10.0,
+N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1cccc2ccccc12,0,13.0,
+N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1ccccc1,0,2.0,
+N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)Cc1ccc(Cl)cc1,0,3.0,
+N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)Cc1ccccc1,0,4.0,
+N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)Cc1cccs1,0,0.0,
+N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)c1ccccc1,0,4.0,
+N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)c1ccccc1F,0,3.0,
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+N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)C(c1ccccc1)c1ccccc1,0,0.0,
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+N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)CC1CCCCC1,0,2.0,
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+N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)COc1cccc2ccccc12,0,7.0,
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+N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)Cc1ccccc1,0,6.0,
+N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1ccc(Br)cc1,0,1.0,
+N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1ccc(Br)o1,0,0.0,
+N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1ccc([N+](=O)[O-])cc1,0,0.0,
+N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1ccc2ccccc2c1,0,0.0,
+N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1cccc(Br)c1,0,12.0,
+N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1ccccc1Br,0,0.0,
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+N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1ccco1,0,0.0,
+N/C(Cc1cccc2ccccc12)=N\OC(=O)COc1ccccc1,0,14.0,
+N/C(Cc1cccc2ccccc12)=N\OC(=O)Cc1cccs1,0,3.0,
+N/C(Cc1cccc2ccccc12)=N\OC(=O)c1ccc(Br)o1,0,1.0,
+N/C(Cc1cccc2ccccc12)=N\OC(=O)c1ccc2c(c1)OCO2,0,6.0,
+N/C(Cc1cccc2ccccc12)=N\OC(=O)c1cccs1,0,3.0,
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+N/C(Cc1ccccc1Sc1ccccc1)=N\O,0,6.0,
+N/C(Cc1cccs1)=N\OC(=O)COc1ccc(Br)cc1,0,8.0,
+N/C(Cc1cccs1)=N\OC(=O)COc1ccc(Br)cc1Cl,0,4.0,
+N/C(Cc1cccs1)=N\OC(=O)COc1ccc(Cl)cc1Cl,0,4.0,
+N/C(Cc1cccs1)=N\OC(=O)COc1ccccc1,0,9.0,
+N/C(Cc1cccs1)=N\OC(=O)COc1ccccc1Cl,0,4.0,
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+N=C(N)CCCOc1ccccc1-c1ccccc1,0,8.0,
+N=C(N)Cc1ccccc1Sc1ccccc1,0,0.0,
+N=C(N)N1CCN(Cc2ccccc2)CC1,0,1.0,
+N=C(N)N1CCc2ccccc2C1,0,3.0,
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+N=C(N)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O,0,0.0,
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+N=C1/C(=C/c2cccn2Cc2ccc(Cl)cc2)C(=O)N=C2SC=CN12,0,0.0,
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+N=C1/C(=C\c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC=NN12,0,6.0,
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+N=C1/C(=C\c2ccc(SCc3ccco3)o2)C(=O)N=C2SC=NN12,0,0.0,
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+N=C1C(=O)OCC1c1ccccc1NC(=O)CN1CCCCC1,0,1.0,
+N=C1C(=O)OCC1c1ccccc1NC(=O)CN1CCOCC1,0,0.0,
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+N=C1C(=O)OCC1c1ccccc1NC(=O)c1ccccc1,0,0.0,
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+N=C1C(c2ccccc2)=C(O)C2CCc3ccccc3N12,0,0.0,
+N=C1C(c2ccccc2)=C(O)CN1CCCO,0,0.0,
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+N=C1C(c2ccccc2)=C(O)CN1c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1,0,0.0,
+N=C1C(c2ccccc2)=C(O)CN1c1cccc(S(N)(=O)=O)c1,0,0.0,
+N=C1C(c2ccccc2)=C(O)CN1c1cccc2ccccc12,0,0.0,
+N=C1C(c2ccccc2)=C(O)CN1c1ccccc1,0,2.0,
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+N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1CCCN1CCOCC1,0,6.0,
+N=C1C(c2nc(-c3ccc(F)cc3)cs2)=C(O)CN1CCCN1CCOCC1,0,0.0,
+N=C1C(c2nc(-c3ccc(F)cc3)cs2)=C(O)CN1Cc1ccc(Cl)cc1,0,0.0,
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+N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1NC(=O)c1c[nH]c2ccccc12,0,1.0,
+N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1c1ccc(CC(=O)O)cc1,0,5.0,
+N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1c1ccc(F)cc1,0,3.0,
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+N=C1C(c2nc3ccccc3c(=O)[nH]2)=C(O)CN1CCO,0,0.0,
+N=C1C(c2nc3ccccc3c(=O)[nH]2)=C(O)CN1CCc1ccccc1,0,2.0,
+N=C1C(c2nc3ccccc3c(=O)[nH]2)=C(O)CN1c1ccccc1,0,3.0,
+N=C1C(c2nc3ccccc3s2)=C(O)CN1C1CCCCC1,0,0.0,
+N=C1C(c2nc3ccccc3s2)=C(O)CN1CCCO,0,0.0,
+N=C1C(c2nc3ccccc3s2)=C(O)CN1Cc1ccccc1,0,0.0,
+N=C1C(c2nc3ccccc3s2)=C(O)CN1Cc1ccco1,0,6.0,
+N=C1C(c2nc3ccccc3s2)=C(O)CN1NC(=O)c1c[nH]c2ccccc12,1,28.0,1.0
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+N=C1C=CC=C2C1=NC1(CCCCC1)N2O,0,0.0,
+N=C1CCCN1CC(=O)c1ccc(Br)cc1,0,0.0,
+N=C1CCCN1CC(=O)c1ccc(Cl)cc1,0,0.0,
+N=C1CCCN1CC(=O)c1cccs1,0,0.0,
+N=C1N(/N=C/c2ccccc2)C(=Nc2ccccc2)C(=S)N1c1ccccc1,0,3.0,
+N=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1nccs1,0,0.0,
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+N=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(F)cc1,0,2.0,
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+NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,0,1.0,
+NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(=O)cc1O,0,0.0,
+NC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)cc1O,0,6.0,
+NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)cc1O,0,0.0,
+NC(=O)c1nn(-c2ccccc2)c(=O)cc1O,0,5.0,
+NC(=O)c1nn(-c2ccccc2)nc1N,0,5.0,
+NC(=O)c1nn(-c2ccccc2)nc1NC(=O)CN1CCCCC1,0,0.0,
+NC(=O)c1nn(-c2ccccc2)nc1NC(=O)CSc1nnnn1-c1ccc(Cl)cc1,0,5.0,
+NC(=O)c1nn(-c2ccccc2)nc1NC(=O)Cn1nnc(-c2ccccc2)n1,0,3.0,
+NC(=O)c1nn(CC(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-],0,5.0,
+NC(=O)c1nnn(-c2ccccc2)c1N,0,0.0,
+NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1,0,0.0,
+NC(=O)c1nnsc1Sc1c(C(N)=O)nnn1-c1cccc(N)c1,0,0.0,
+NC(=O)c1noc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccc3c(c2)OCO3)c1N,0,0.0,
+NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccc3c(c2)OCO3)c1N,0,3.0,
+NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccco2)c1N,0,3.0,
+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,0,2.0,
+NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccco2)c2ccccc2F)c1N,0,5.0,
+NC(=O)c1nsc(C(=O)N(CCc2ccccc2)C(C(=O)NC2CCCC2)c2ccco2)c1N,0,16.0,
+NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)C(C(=O)NCC2CCCO2)c2cccs2)c1N,0,0.0,
+NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)C(C(=O)NCC2CCCO2)c2cccs2)c1N,0,0.0,
+NC(=O)c1nsc(C(=O)N(c2ccccc2)C(C(=O)NCC2CCCO2)c2cccs2)c1N,0,3.0,
+NC(=O)c1nsnc1-c1ccccc1O,0,1.0,
+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)C1COc2ccccc2O1,0,0.0,
+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)c1ccccc1,0,0.0,
+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,0,2.0,
+NC(=O)c1sc(=S)n2c1[nH]c(=O)c1sccc12,0,7.0,
+NC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1,0,0.0,
+NC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1,0,1.0,
+NC(=O)c1sc2nc(-c3ccccc3)c3c(c2c1N)CCCC3,0,0.0,
+NC(=O)c1sc2nc(-c3ccco3)ccc2c1N,0,0.0,
+NC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3,0,0.0,
+NC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3,0,2.0,
+NC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCCC3,0,4.0,
+NC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1N)CCC3,0,2.0,
+NC(=O)c1sc2nc3c(c(-c4cccnc4)c2c1N)CCC3,0,3.0,
+NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3,0,0.0,
+NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3,0,1.0,
+NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3,0,0.0,
+NC(=O)c1sc2nc3c(cc2c1N)CCC3,0,0.0,
+NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N,0,0.0,
+NC(=S)/N=C/c1c(O)[nH]c(=O)[nH]c1=O,0,2.0,
+NC(=S)Cc1nc(-c2ccc(Cl)cc2)cs1,0,2.0,
+NC(=S)Cc1nc(-c2ccccc2)cs1,0,1.0,
+NC(=S)Cc1nc2n(n1)Cc1ccccc1-2,0,5.0,
+NC(=S)N(c1ccccc1)c1ccccc1,0,2.0,
+NC(=S)N/N=C/C=C/c1ccccc1,0,4.0,
+NC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1Cl,0,0.0,
+NC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1,0,5.0,
+NC(=S)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1,0,4.0,
+NC(=S)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1,0,2.0,
+NC(=S)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1,0,6.0,
+NC(=S)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1,0,4.0,
+NC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1,0,2.0,
+NC(=S)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1,0,0.0,
+NC(=S)N/N=C/c1ccc(-c2ccccc2)o1,0,3.0,
+NC(=S)N/N=C/c1ccc(Br)o1,0,2.0,
+NC(=S)N/N=C/c1ccc(C(F)(F)F)cc1,0,0.0,
+NC(=S)N/N=C/c1ccc([N+](=O)[O-])cc1,0,0.0,
+NC(=S)N/N=C/c1ccc2c(c1)OCCO2,0,0.0,
+NC(=S)N/N=C/c1ccc2ccccc2c1,0,7.0,
+NC(=S)N/N=C/c1cccc(Br)c1,0,13.0,
+NC(=S)N/N=C/c1cccc(O)c1O,0,2.0,
+NC(=S)N/N=C/c1ccccc1,0,1.0,
+NC(=S)N/N=C/c1ccccc1OCCSc1ccc(Cl)cc1,0,0.0,
+NC(=S)N/N=C/c1ccccc1OCc1cccc(Cl)c1,0,0.0,
+NC(=S)N/N=C/c1ccccc1[N+](=O)[O-],0,0.0,
+NC(=S)N/N=C/c1coc2c(ccc3ccccc32)c1=O,0,1.0,
+NC(=S)N/N=C/c1coc2cc(Cl)ccc2c1=O,0,0.0,
+NC(=S)N/N=C/c1coc2ccc(Cl)cc2c1=O,0,0.0,
+NC(=S)N/N=C/c1coc2ccccc2c1=O,0,0.0,
+NC(=S)N/N=C1/CCSc2ccc3ccccc3c21,0,2.0,
+NC(=S)N/N=C1\CC(n2nnn(-c3cccc(Cl)c3)c2=S)C2COC1O2,0,6.0,
+NC(=S)N/N=C1\CC(n2nnnc2-c2ccccc2Cl)C2COC1O2,0,0.0,
+NC(=S)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12,0,10.0,
+NC(=S)N/N=C\c1c2ccccc2cc2ccccc12,0,16.0,
+NC(=S)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1,0,5.0,
+NC(=S)N/N=C\c1ccccc1OCc1ccccc1,0,1.0,
+NC(=S)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21,0,0.0,
+NC(=S)N=Nc1c(O)[nH]c2c(Br)cc(Br)cc12,0,0.0,
+NC(=S)N=Nc1c(O)[nH]c2cc(F)c(F)cc12,0,0.0,
+NC(=S)N=Nc1c(O)[nH]c2ccc(F)cc12,0,0.0,
+NC(=S)N=Nc1c(O)[nH]c2ccccc12,0,0.0,
+NC(=S)N=Nc1c(O)n(C2OC(=O)c3ccccc32)c2ccccc12,0,0.0,
+NC(=S)N=Nc1c(O)n(CCCl)c2ccc(Cl)cc12,0,7.0,
+NC(=S)N=Nc1c(O)n(CCCl)c2ccccc12,0,4.0,
+NC(=S)N=Nc1c(O)n(Cc2ccc(Br)cc2)c2ccccc12,0,2.0,
+NC(=S)N=Nc1c(O)n(Cc2ccc(F)cc2)c2ccccc12,0,7.0,
+NC(=S)N=Nc1c(O)n(Cc2ccccc2)c2ccccc12,0,4.0,
+NC(=S)NC(=O)/C=C/c1ccccc1,0,4.0,
+NC(=S)NC1CCS(=O)(=O)C1,0,0.0,
+NC(=S)NCc1cccnc1,0,0.0,
+NC(=S)NN=C(Cc1ccccc1)Cc1ccccc1,0,3.0,
+NC(=S)NN=C1C2CC3CC(C2)CC1C3,0,2.0,
+NC(=S)NN=C1c2cc(S(=O)(=O)N3CCOCC3)ccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc21,0,0.0,
+NC(=S)NNC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1,0,3.0,
+NC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2,0,7.0,
+NC(=S)NNC(=O)Nc1ccc(Cl)c(Cl)c1,0,3.0,
+NC(=S)NNC(=O)Nc1cccc(Cl)c1,0,2.0,
+NC(=S)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O,0,1.0,
+NC(=S)NNC(=O)c1cccc(Br)c1,0,4.0,
+NC(=S)NNC(=O)c1ccccc1,0,7.0,
+NC(=S)NNC(=S)Nc1ccccc1,0,0.0,
+NC(=S)NNc1c(F)c(F)c(F)c(F)c1F,0,0.0,
+NC(=S)NNc1cc(Cl)cc(Cl)c1,0,0.0,
+NC(=S)NNc1cccc(Cl)c1,0,0.0,
+NC(=S)NNc1cccc2cccnc12,0,2.0,
+NC(=S)NNc1ccnc2cc(Cl)ccc12,0,0.0,
+NC(=S)Nc1cc2ccccc2c2ccccc12,0,4.0,
+NC(=S)Nc1ccc(Oc2ccc(NC(N)=S)cc2)cc1,0,3.0,
+NC(=S)Nc1ccc2c(c1)OCO2,0,0.0,
+NC(=S)Nc1ccc2cc[nH]c2c1,0,9.0,
+NC(=S)Nc1ccc2cn[nH]c2c1,0,0.0,
+NC(=S)Nc1cccc2[nH]ccc12,0,4.0,
+NC(=S)Nc1cccc2[nH]ncc12,0,3.0,
+NC(=S)Nc1cccc2cc3ccccc3cc12,0,0.0,
+NC(=S)Nc1cccc2cccnc12,0,2.0,
+NC(=S)Nc1cccc2cn[nH]c12,0,0.0,
+NC(=S)Nc1cccc2cnccc12,0,6.0,
+NC(=S)Nc1cnc2ccccc2c1,0,0.0,
+NC(=S)Nc1nc2ccccc2[nH]c1=O,0,4.0,
+NC(=S)Nc1nc2ccccc2s1,0,0.0,
+NC(=S)Nc1ncc(C(F)(F)F)cc1Cl,0,0.0,
+NC(=S)Nc1ncc(CCN2CCOCC2)c(-c2ccc(F)cc2)n1,0,2.0,
+NC(=S)Nc1nccc(-c2cccs2)n1,0,0.0,
+NC(=S)Nn1c(-c2ccccc2)nc2ccccc2c1=O,0,6.0,
+NC(=S)Nn1c(CCC(=O)O)ccc1-c1ccc(Br)cc1,0,3.0,
+NC(=S)Nn1c(CCC(=O)O)ccc1-c1ccccc1,0,0.0,
+NC(=S)c1cc2cc(Br)ccc2oc1=O,0,5.0,
+NC(=S)c1cc2ccc(O)cc2oc1=O,0,3.0,
+NC(=S)c1ccc(C(N)=S)o1,0,1.0,
+NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccc(Cl)cc2)c1=O,0,0.0,
+NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccc(O)cc2)c1=O,0,0.0,
+NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2cccc(Cl)c2)c1=O,0,0.0,
+NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2cccc([N+](=O)[O-])c2)c1=O,0,0.0,
+NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccccc2[N+](=O)[O-])c1=O,0,0.0,
+NC(=S)n1[nH]c(-c2ccccc2)c(N=Nc2ccccc2C(=O)N2CCOCC2)c1=O,0,3.0,
+NC(C(=O)O)C1CC(Cl)=NO1,0,7.0,
+NC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O,0,0.0,
+NC(CC(=O)O)C1CCCCC1,0,2.0,
+NC(CC(=O)O)c1ccc(Br)cc1,0,0.0,
+NC(CC(=O)O)c1ccc(F)cc1,0,4.0,
+NC(CC(=O)O)c1cccc(OCc2ccccc2)c1,0,0.0,
+NC(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1,0,0.0,
+NC(CCC(=O)O)C12CC3CC(CC(C3)C1)C2,0,0.0,
+NC(CO)(CO)COCc1ccccc1,0,1.0,
+NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,0,0.0,
+NC(CO)C(O)c1ccc([N+](=O)[O-])cc1,0,3.0,
+NC(CO)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1,0,0.0,
+NC(CSC12CC3CC(CC(C3)C1)C2)C(=O)O,0,0.0,
+NC(CSCc1cccc(Br)c1)C(=O)O,0,7.0,
+NC(CSCc1ccccc1Cl)C(=O)O,0,2.0,
+NC(CSS(=O)(=O)O)=NCCC12CC3CC(CC(O)(C3)C1)C2,0,3.0,
+NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1,0,0.0,
+NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O,0,0.0,
+NC(Cc1ccc(O)cc1)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1,0,0.0,
+NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O,0,0.0,
+NC(Cc1ccc2nonc2c1)C(=O)O,0,0.0,
+NC(Cc1ccc2nsnc2c1)C(=O)O,0,2.0,
+NC(Cc1cccc2nsnc12)C(=O)O,0,1.0,
+NC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1,0,8.0,
+NC(Cc1ccccc1)Cc1ccccc1,0,7.0,
+NC(N)=N/N=C/c1c(Cl)cccc1Cl,0,9.0,
+NC(N)=N/N=C/c1cc([N+](=O)[O-])ccc1O,0,0.0,
+NC(N)=N/N=C/c1ccc(Br)cc1,0,7.0,
+NC(N)=N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1,0,3.0,
+NC(N)=N/N=C/c1ccc(N2CCOCC2)cc1,0,0.0,
+NC(N)=N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1,0,10.0,
+NC(N)=N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1,1,22.0,0.0
+NC(N)=N/N=C/c1ccc(OCc2ccccc2)cc1,0,12.0,
+NC(N)=N/N=C/c1ccc(OCc2ccccc2Cl)cc1,0,13.0,
+NC(N)=N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1,0,2.0,
+NC(N)=N/N=C/c1cccc(Cl)c1Cl,0,12.0,
+NC(N)=N/N=C/c1cccc([N+](=O)[O-])c1O,0,0.0,
+NC(N)=N/N=C/c1ccccc1,0,0.0,
+NC(N)=N/N=C/c1ccccc1OC(F)F,0,9.0,
+NC(N)=N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1,0,8.0,
+NC(N)=NC(=O)Cc1c(Cl)cccc1Cl,0,4.0,
+NC(N)=NC(=O)c1nc(Cl)c(N)nc1N,0,2.0,
+NC(N)=NC(N)=NCCc1ccccc1,0,0.0,
+NC(N)=NC(N)=Nc1ccc(SC(F)(F)F)cc1,0,8.0,
+NC(N)=NC(N)=Nc1ccc2ccccc2c1,0,0.0,
+NC(N)=NC1=NC(=O)/C(=C/c2ccccc2-n2cccn2)S1,0,2.0,
+NC(N)=NC1=NC(=O)C(Cc2ccccc2)S1,0,4.0,
+NC(N)=NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O,0,1.0,
+NC(N)=NCCCc1cn(CC(=O)N2CCNCC2)nn1,0,0.0,
+NC(N)=NNC(=O)c1ccccc1Cl,0,0.0,
+NC(N)=NS(=O)(=O)c1ccc(N)cc1,0,0.0,
+NC(N)=NS(=O)(=O)c1ccc(N/C=C\C(=O)c2ccncc2)cc1,0,7.0,
+NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1,0,0.0,
+NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2cccs2)cc1,0,0.0,
+NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1,0,3.0,
+NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1,0,0.0,
+NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1,0,6.0,
+NC(N)=Nc1nc(-c2ccccc2)c2cc(F)ccc2n1,0,4.0,
+NC(N)=Nc1nc(-c2ccccc2)c2ccccc2n1,0,2.0,
+NC(N)=Nc1nc(C2COc3ccccc3O2)cs1,0,0.0,
+NC(N)=Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1,0,0.0,
+NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1,0,0.0,
+NC(N)=Nc1nc2cc([N+](=O)[O-])ccc2o1,0,0.0,
+NC(N)=Nc1nc2ccc(Br)cc2c(=O)[nH]1,0,1.0,
+NC(N)=Nc1nc2ccc(Cl)cc2c(=O)[nH]1,0,10.0,
+NC/C(=N\O)c1ccc(Cl)cc1Cl,0,0.0,
+NC1(N)OC(CN2C(=O)c3ccccc3C2=O)CS1,0,0.0,
+NC12CC3CC(C1)CC(CC(=O)O)(C3)C2,0,0.0,
+NC12CC3CC(C1)CC(CO)(C3)O2,0,0.0,
+NC12CC3CC(C1)CC(O)(C3)C2,0,5.0,
+NC12CC3CC(CC(C3)C1)C2,0,2.0,
+NC12CCc3c(no[n+]3[O-])C1(O)CC(c1ccccc1)=[N+]2[O-],0,0.0,
+NC12CN3CN(CN(C3)C1)C2,0,0.0,
+NC12NC(=O)C3(O)C4C5CC(C6C5C3C61)C42,0,8.0,
+NC1=C([N+](=O)[O-])C(c2ccc(F)cc2)C2=C(CCCC2=O)O1,0,0.0,
+NC1=C([N+](=O)[O-])C(c2ccccc2)C2=C(CCCC2=O)O1,0,0.0,
+NC1=C(c2ccc(F)cc2)C(=O)CS1,0,2.0,
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+NNC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Br)cc2C1c1ccccc1,0,0.0,
+NNC(=O)CN1C(c2ccccc2)=Nc2ccc(Br)cc2C1c1ccccc1,0,10.0,
+NNC(=O)CN1C(c2ccccc2Br)=Nc2ccc(Br)cc2C1c1ccccc1,0,0.0,
+NNC(=O)CN1CCCc2ccccc21,0,0.0,
+NNC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,0,4.0,
+NNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2,0,5.0,
+NNC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1,0,0.0,
+NNC(=O)CNC(=O)c1ccc(F)cc1,0,3.0,
+NNC(=O)CNC(=O)c1cccc(Br)c1,0,3.0,
+NNC(=O)CNC(=O)c1ccccc1F,0,2.0,
+NNC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)CCN1CCOCC1,0,1.0,
+NNC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccc(Br)cc1,0,5.0,
+NNC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1cccc(Cl)c1,0,0.0,
+NNC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1Br,0,1.0,
+NNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1,0,1.0,
+NNC(=O)CNc1cccc(Cl)c1,0,2.0,
+NNC(=O)CNc1ccccc1Cl,0,0.0,
+NNC(=O)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1,0,0.0,
+NNC(=O)COc1ccc(C(F)(F)F)cc1,0,2.0,
+NNC(=O)COc1ccc(C2SCCS2)cc1,0,3.0,
+NNC(=O)COc1ccc(F)cc1,0,5.0,
+NNC(=O)COc1cccc(C(F)(F)F)c1,0,2.0,
+NNC(=O)COc1cccc(Oc2ccccc2)c1,0,5.0,
+NNC(=O)COc1cccc2cccnc12,0,1.0,
+NNC(=O)COc1ccccc1F,0,2.0,
+NNC(=O)COc1ccccc1[N+](=O)[O-],0,0.0,
+NNC(=O)COc1ncn(-c2ccccc2)n1,0,0.0,
+NNC(=O)CSCc1ccc(Cl)cc1Cl,0,1.0,
+NNC(=O)CSc1c(-c2cccs2)[nH]c2ccccc12,0,0.0,
+NNC(=O)CSc1cccc2cccnc12,0,10.0,
+NNC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2,0,0.0,
+NNC(=O)CSc1ncc(-c2ccccc2)[nH]1,0,1.0,
+NNC(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12,0,1.0,
+NNC(=O)Cc1nnc(N)s1,0,4.0,
+NNC(=O)Cn1c(-c2nonc2N)nc2ccccc21,0,0.0,
+NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21,0,3.0,
+NNC(=O)Cn1c(SCc2ccccc2)nc2ccccc21,0,0.0,
+NNC(=O)Cn1cnc2ccccc21,0,0.0,
+NNC(=O)Nc1cccc(C(F)(F)F)c1,0,0.0,
+NNC(=O)[C@@H]1C[C@@H]1c1ccccc1,0,1.0,
+NNC(=O)[C@H]1C[C@@H]1c1ccccc1,0,0.0,
+NNC(=O)c1cc(-c2ccco2)[nH]n1,0,5.0,
+NNC(=O)c1cc(Br)cs1,0,0.0,
+NNC(=O)c1cc(Cl)ccc1Cl,0,6.0,
+NNC(=O)c1cc(O)c(O)c(O)c1,0,1.0,
+NNC(=O)c1cc2c(N3CCC(Cc4ccccc4)CC3)ncnc2s1,0,10.0,
+NNC(=O)c1cc2c(ccc3ccccc32)o1,0,0.0,
+NNC(=O)c1cc2c(s1)CCCCCC2,0,0.0,
+NNC(=O)c1cc2cc3ccccc3nc2s1,0,2.0,
+NNC(=O)c1cc2ccccc2[nH]1,0,11.0,
+NNC(=O)c1cc2ccccc2cc1O,0,0.0,
+NNC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,0,0.0,
+NNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1,0,0.0,
+NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1,0,0.0,
+NNC(=O)c1ccc(CN2CCCCC2)o1,0,3.0,
+NNC(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1,0,0.0,
+NNC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1,0,0.0,
+NNC(=O)c1ccc(COc2cccc3ccccc23)cc1,0,6.0,
+NNC(=O)c1ccc(COc2cccc3cccnc23)cc1,0,6.0,
+NNC(=O)c1ccc(COc2ccccc2)cc1,0,3.0,
+NNC(=O)c1ccc(CSc2cccc3cccnc23)cc1,0,2.0,
+NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1,0,2.0,
+NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1,0,7.0,
+NNC(=O)c1ccc(Cl)cc1,0,1.0,
+NNC(=O)c1ccc(Cl)cc1Cl,0,3.0,
+NNC(=O)c1ccc(Cn2cc(Br)cn2)cc1,0,3.0,
+NNC(=O)c1ccc(Cn2cc(Cl)cn2)cc1,0,0.0,
+NNC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1,0,0.0,
+NNC(=O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1,0,0.0,
+NNC(=O)c1ccc(O)cc1O,0,0.0,
+NNC(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1,0,0.0,
+NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3,0,0.0,
+NNC(=O)c1ccc2c(c1)S(=O)(=O)NNC2=O,0,2.0,
+NNC(=O)c1ccc2ccccc2n1,0,0.0,
+NNC(=O)c1ccc2nc(-c3ccc(Br)cc3)cn2c1,0,4.0,
+NNC(=O)c1cccc(COc2ccc(Br)cc2)c1,0,8.0,
+NNC(=O)c1cccc(COc2ccc3c(c2)CCC3)c1,0,3.0,
+NNC(=O)c1cccc(COc2cccc(Br)c2)c1,0,5.0,
+NNC(=O)c1cccc(COc2ccccc2Br)c1,0,0.0,
+NNC(=O)c1cccc(O)c1,0,9.0,
+NNC(=O)c1ccccc1-n1cccc1,0,0.0,
+NNC(=O)c1ccncc1,0,6.0,
+NNC(=O)c1cn2ccccc2n1,0,2.0,
+NNC(=O)c1cncn1-c1ccc(F)cc1,0,1.0,
+NNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1,0,0.0,
+NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F,0,3.0,
+NNC(=O)c1cnn(Cc2ccccc2)c1N,0,1.0,
+NNC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1,0,1.0,
+NNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2,0,0.0,
+NNC(=O)c1nc[nH]c1C(=O)Nc1ccccc1[N+](=O)[O-],0,5.0,
+NNC(=O)c1nc[nH]c1C(=O)Nc1ccccn1,0,1.0,
+NNC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O,0,1.0,
+NNC(=O)c1nn(-c2ccccc2)cc1O,0,4.0,
+NNC(=O)c1nnn(-c2nonc2N)c1-c1cccs1,0,2.0,
+NNC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2C1,0,17.0,
+NNC(=O)c1oc2ccccc2c1-n1cccc1,0,7.0,
+NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N,0,0.0,
+NNC(=O)c1sc(-c2ccccc2)cc1N,0,0.0,
+NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1,0,3.0,
+NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccnc1,0,3.0,
+NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1,0,10.0,
+NNC(=O)c1sccc1OCc1ccc(Cl)cc1,0,0.0,
+NNC(=O)c1sccc1OCc1ccc(Cl)cc1Cl,0,1.0,
+NNC(=O)c1sccc1OCc1ccc(F)cc1,0,6.0,
+NNC(=O)c1sccc1OCc1cccc(C(F)(F)F)c1,0,6.0,
+NNC(=S)NC1CCCCC1,0,0.0,
+NNC(=S)NCCc1ccccc1,0,3.0,
+NNC(=S)NCc1ccc2c(c1)OCO2,0,14.0,
+NNC(=S)NCc1cccnc1,0,0.0,
+NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1,0,0.0,
+NNC(=S)Nc1ccc(Cl)cc1,0,2.0,
+NNC(=S)Nc1ccccc1Cl,0,0.0,
+NNC1=N[C@H]2CS(=O)(=O)C[C@H]2S1,0,4.0,
+NNCCc1ccccc1,0,3.0,
+NNS(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1,0,6.0,
+NNS(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1,0,0.0,
+NNc1cc([N+](=O)[O-])cc2c1c(=O)n(Cc1ccccc1)[s+]2[O-],0,3.0,
+NNc1ccc(Cc2ccc(Cl)cc2Cl)nn1,0,5.0,
+NNc1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1,0,8.0,
+NNc1ccc2nnc(C(F)(F)C(F)(F)C(F)(F)F)n2n1,0,0.0,
+NNc1ccccc1C(F)(F)F,0,0.0,
+NNc1nc(-c2ccccc2)c2ccccc2n1,0,2.0,
+NNc1nc(-c2ccccc2)cc(-c2ccccc2)n1,0,0.0,
+NNc1nc(-c2ccccc2)cc(-c2ccccc2O)n1,0,0.0,
+NNc1nc(-c2ccccc2)cs1,0,0.0,
+NNc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3,0,0.0,
+NNc1nc(-c2ccccc2Cl)nc2sc3c(c12)CCCC3,0,0.0,
+NNc1nc(C(F)(F)F)nc2ccccc12,0,0.0,
+NNc1nc(N)c2c(n1)-c1ccccc1CC21CCCC1,0,5.0,
+NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1,0,0.0,
+NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1,0,3.0,
+NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1,0,0.0,
+NNc1nc2c(-c3ccc(Cl)cc3)nnn2c2ccccc12,0,4.0,
+NNc1nc2c(-c3ccc(F)cc3)nnn2c2ccccc12,0,0.0,
+NNc1nc2c(Cl)c(Cl)ccc2s1,0,3.0,
+NNc1nc2c(Cl)ccc(Cl)c2s1,0,0.0,
+NNc1nc2c(Cl)cccc2s1,0,0.0,
+NNc1nc2c(F)cc(F)cc2s1,0,7.0,
+NNc1nc2c(F)cccc2s1,0,1.0,
+NNc1nc2ccc(Cl)cc2s1,0,1.0,
+NNc1nc2ccc(F)cc2s1,0,0.0,
+NNc1nc2ccccc2nc1C(F)(F)F,0,3.0,
+NNc1nc2cccnc2n(CCNc2ncc(C(F)(F)F)cc2Cl)c1=O,0,0.0,
+NNc1nc2sc3c(c2c(=O)[nH]1)CCc1ccccc1-3,0,0.0,
+NNc1nccc(Nc2ccccc2C(=O)O)n1,0,0.0,
+NNc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+NNc1ncnc2sc3c(c12)CCC3,0,0.0,
+NNc1ncnc2scc(-c3ccc(Cl)cc3)c12,0,4.0,
+NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1,0,1.0,
+NP(=O)(OCC(F)(F)F)Oc1ccc(Cl)cc1,0,0.0,
+NP(=O)(OCC(F)(F)F)Oc1cccc2ccccc12,0,0.0,
+NP(=O)(OCC(F)(F)F)Oc1ccccc1,0,0.0,
+NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1,0,6.0,
+NP(=O)(Oc1ccccc1Cl)Oc1ccccc1Cl,0,7.0,
+NS(=O)(=O)c1cc(C(=O)N2CCc3ccccc32)c(Cl)cc1Cl,0,0.0,
+NS(=O)(=O)c1cc(C(=O)NCCOc2ccccc2)c(Cl)cc1Cl,0,0.0,
+NS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CC2)ccc1Cl,0,0.0,
+NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl,0,0.0,
+NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl,0,0.0,
+NS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)ccc1Cl,0,0.0,
+NS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccccc2)c(Cl)cc1Cl,0,0.0,
+NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,0,0.0,
+NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O,0,2.0,
+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,0,1.0,
+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=C3\C(=O)Nc4cc(Cl)ccc43)o2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(-c2ccc(C=NC3CCS(=O)(=O)C3)o2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(-n2cccc2C=O)cc1,0,7.0,
+NS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(Cl)cc2)cc1,0,9.0,
+NS(=O)(=O)c1ccc(-n2ncc3c(=O)[nH]c(SCC(=O)Nc4nccs4)nc32)cc1,0,6.0,
+NS(=O)(=O)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1,0,0.0,
+NS(=O)(=O)c1ccc(C(=O)O)cc1,0,6.0,
+NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCN=C(NS(=O)(=O)c2cccs2)c2ccccc2)cc1,0,1.0,
+NS(=O)(=O)c1ccc(CCN=Cc2ccccc2O)cc1,0,10.0,
+NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1,0,7.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCC2OCCN2C(=O)c2ccc3c(c2)OCO3)cc1,0,3.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1,0,11.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1,0,1.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCC(Cn3c(=S)[nH]c4ccccc4c3=O)CC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2)cc1,0,1.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1,0,4.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1,0,2.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCCN2C(=O)OCc2ccccc2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,0,7.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)cc1,0,2.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CCC2COc3ccccc3O2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1,0,6.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CCCCCNc2nc(=S)[nH]c3ccccc23)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CCCCCn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1,0,6.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CCCOc2ccccc2)cc1,0,8.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(SCC(=O)N3CCCC3)nc3ccsc3c2=O)cc1,0,0.0,
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+NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCCC2)cc1,0,4.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCCCC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1,0,4.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(c3ccccc3F)CC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(c3ccccc3O)CC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)C2CCCCC2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CNS(=O)(=O)c2cccc(Br)c2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)cc1,0,9.0,
+NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)/C=C/c2ccccc2Cl)cc1,0,3.0,
+NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2CCCN2C(=O)c2cccs2)cc1,0,2.0,
+NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CCSc2ccc(Cl)cc2)cc1,0,11.0,
+NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CCc2ccccc2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CN2C(=O)C3CCCCC3C2=O)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CSCc2ccccc2)cc1,0,0.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(Cl)cc2)cc1,0,2.0,
+NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc3ccccc3c2)cc1,0,0.0,
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+Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1,0,4.0,
+Nc1ccc2oc(-c3ccc4nc[nH]c4c3)nc2c1,0,0.0,
+Nc1ccc2oc(-c3cccc(Br)c3)nc2c1,0,0.0,
+Nc1ccc2oc(-c3cccc4ccccc34)nc2c1,0,4.0,
+Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1O,0,3.0,
+Nc1ccc2oc(-c3ccccc3Cl)nc2c1,0,0.0,
+Nc1ccc2oc(-c3ccccn3)nc2c1,0,1.0,
+Nc1ccc2oc(-c3cccs3)nc2c1,0,0.0,
+Nc1ccc2oc(=O)c3ccccc3c2c1,0,0.0,
+Nc1ccc2oc(C3CCCCC3)nc2c1,0,4.0,
+Nc1ccc2oc(CCc3ccccc3)nc2c1,0,7.0,
+Nc1ccc2oc3ccc(N)cc3c(=O)c2c1,0,1.0,
+Nc1ccc2oc3ccccc3c2c1,0,1.0,
+Nc1ccc2oc3ncccc3c(=O)c2c1,0,1.0,
+Nc1ccc[n+](Cc2ccccn2)c1,0,0.0,
+Nc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(N)c3)n2)c1,0,0.0,
+Nc1cccc(-c2cc3ccccc3oc2=O)c1,0,7.0,
+Nc1cccc(-c2ccc(CO)o2)c1,0,1.0,
+Nc1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1,0,6.0,
+Nc1cccc(-c2cn3cccnc3n2)c1,0,1.0,
+Nc1cccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(-c6cccc(N)c6)nc5c4)ccc3o2)c1,0,0.0,
+Nc1cccc(-c2nc3ccc(N)cc3s2)c1,0,1.0,
+Nc1cccc(-c2nc3ccccc3[nH]2)c1,0,8.0,
+Nc1cccc(-c2nc3ccccc3s2)c1,0,4.0,
+Nc1cccc(-c2nnc3n2CCCCC3)c1,0,0.0,
+Nc1cccc(-n2cccc2)c1,0,0.0,
+Nc1cccc(-n2nncc2-c2ccc(Cl)cc2)c1,0,0.0,
+Nc1cccc(-n2nncc2-c2ccccc2)c1,0,0.0,
+Nc1cccc(-n2nnnc2CN2CCOCC2)c1,0,2.0,
+Nc1cccc(C(=O)N/N=C/c2ccsc2)c1,0,10.0,
+Nc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1,0,2.0,
+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(C(=O)OCC(=O)NC2CCCc3ccccc32)c1,0,5.0,
+Nc1cccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1,0,0.0,
+Nc1cccc(C(=O)OCC(=O)c2ccccc2)c1,0,0.0,
+Nc1cccc(C2=Nc3cccc4cccc(c34)N2)c1,0,8.0,
+Nc1cccc(CCc2nc3cc4ccccc4cc3[nH]2)c1,0,0.0,
+Nc1cccc(CCc2nc3ccccc3[nH]2)c1,0,3.0,
+Nc1cccc(CN2CCCC2)c1,0,0.0,
+Nc1cccc(Cl)c1N1CCOCC1,0,6.0,
+Nc1cccc(N=Cc2c(O)n(Cc3ccc(F)cc3)c(=O)[nH]c2=O)c1,0,5.0,
+Nc1cccc(NC(=O)c2cccs2)c1,0,8.0,
+Nc1cccc(Nc2ccccc2)c1,0,0.0,
+Nc1cccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)c1,0,0.0,
+Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1,0,1.0,
+Nc1cccc(S(=O)(=O)NC2=NCCC2)c1,0,0.0,
+Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1,0,1.0,
+Nc1cccc(S(=O)(=O)Nc2ccccc2)c1,0,2.0,
+Nc1cccc(S(=O)(=O)c2ccc(N)c(N)c2)c1,0,3.0,
+Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1,0,0.0,
+Nc1cccc([N+](=O)[O-])c1,0,2.0,
+Nc1cccc2[nH]c(C(F)(F)F)nc12,0,2.0,
+Nc1cccc2c1C(=O)N(C(=O)/C=C/c1ccc(F)cc1)C2=O,0,1.0,
+Nc1cccc2c1C(=O)N(C(=O)/C=C/c1cccc(F)c1)C2=O,0,2.0,
+Nc1cccc2c1C(=O)N(C(=O)c1cc(Br)ccc1Cl)C2=O,0,3.0,
+Nc1cccc2c1C(=O)N(C(=O)c1ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c1)C2=O,0,0.0,
+Nc1cccc2c1C(=O)N(C(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C2=O,0,0.0,
+Nc1cccc2c1C(=O)N(C(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)C2=O,0,6.0,
+Nc1cccc2c1C(=O)N(C(=O)c1cccc(S(=O)(=O)N3CCCCCC3)c1)C2=O,0,4.0,
+Nc1cccc2c1C(=O)N(C(=O)c1ccccc1Cl)C2=O,0,3.0,
+Nc1cccc2c1C(=O)N(CC(=O)NC13CC4CC(CC(C4)C1)C3)C2=O,0,0.0,
+Nc1cccc2c1C(=O)N(Cc1cccc(Cl)c1)C2=O,0,0.0,
+Nc1cccc2c1nnn2C1OC(CO)C(O)C(O)C1O,0,0.0,
+Nc1cccc2cnccc12,0,1.0,
+Nc1cccc2nc3ccccc3cc12,0,0.0,
+Nc1ccccc1-c1ccccc1N,0,0.0,
+Nc1ccccc1-c1n[nH]c(=S)s1,0,9.0,
+Nc1ccccc1-c1nc2ccccc2[nH]1,0,0.0,
+Nc1ccccc1-c1nc2ccccc2s1,0,0.0,
+Nc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1,0,11.0,
+Nc1ccccc1-c1nnc(-c2ccccc2N)n1N,0,0.0,
+Nc1ccccc1-c1nnc(SCc2ccccc2Cl)[nH]c1=O,0,8.0,
+Nc1ccccc1-c1nnc(SCc2ccccc2F)[nH]c1=O,0,7.0,
+Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1,0,4.0,
+Nc1ccccc1C#CCCCCO,0,0.0,
+Nc1ccccc1C#Cc1ccccc1,0,0.0,
+Nc1ccccc1C(=O)/C=C/c1ccc2c(c1)OCO2,0,10.0,
+Nc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1,0,6.0,
+Nc1ccccc1C(=O)N/N=C1/C2CN3CCN(C2)CC1(Cc1ccccc1)C3,0,4.0,
+Nc1ccccc1C(=O)N/N=C1\C2CN3CCN(C2)CC1(c1ccccc1)C3,0,0.0,
+Nc1ccccc1C(=O)N1CCCC1,0,1.0,
+Nc1ccccc1C(=O)N=Nc1[nH]c(N)c2ccccc12,0,0.0,
+Nc1ccccc1C(=O)NCc1ccc(Cl)cc1,0,4.0,
+Nc1ccccc1C(=O)NCc1ccc(F)cc1,0,0.0,
+Nc1ccccc1C(=O)NCc1ccccc1,0,0.0,
+Nc1ccccc1C(=O)NNc1ncc(C(F)(F)F)cc1Cl,1,21.0,0.0
+Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1,0,0.0,
+Nc1ccccc1C(=O)Nc1nccs1,0,1.0,
+Nc1ccccc1C(=O)OC1CSC1,0,6.0,
+Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21,0,0.0,
+Nc1ccccc1C(=O)OCC(=O)Nc1ccc(Br)cc1F,0,4.0,
+Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2,0,5.0,
+Nc1ccccc1C(=O)OCCOc1ccccc1,0,0.0,
+Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1,0,7.0,
+Nc1ccccc1C(=O)c1ccccc1,0,0.0,
+Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1,0,0.0,
+Nc1ccccc1N1CCOCC1,0,2.0,
+Nc1ccccc1N=Cc1c(O)n(CCC2=CCCCC2)c(=O)[nH]c1=O,0,0.0,
+Nc1ccccc1N=Cc1ccc(-c2cccc(Cl)c2)o1,0,7.0,
+Nc1ccccc1N=c1ssnc1Cl,0,0.0,
+Nc1ccccc1NC(=O)c1ccccc1,0,3.0,
+Nc1ccccc1NC(=O)c1ccccc1N,0,0.0,
+Nc1ccccc1NC1=CC(=O)CC(c2ccccc2)C1,0,0.0,
+Nc1ccccc1NC1=CC(=O)CC(c2ccco2)C1,0,0.0,
+Nc1ccccc1NC1CCCCC1,0,0.0,
+Nc1ccccc1Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1,0,0.0,
+Nc1ccccc1Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1,0,6.0,
+Nc1ccccc1Nc1cc(-c2ccccc2)[nH]n1,0,1.0,
+Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1cccc(Cl)c1,0,2.0,
+Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1,0,0.0,
+Nc1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0,0.0,
+Nc1ccccc1Nc1cccc(C(F)(F)F)c1,0,0.0,
+Nc1ccccc1Nc1ccccc1,0,0.0,
+Nc1ccccc1Nc1ccncc1[N+](=O)[O-],0,0.0,
+Nc1ccccc1OCCOCCOCCOc1ccccc1N,0,3.0,
+Nc1ccccc1OCCOCCOc1ccccc1N,0,0.0,
+Nc1ccccc1OCP(=O)(c1ccccc1)c1ccccc1,0,0.0,
+Nc1ccccc1Oc1c(F)c(F)c(Oc2ccccc2N)c(F)c1F,0,0.0,
+Nc1ccccc1Oc1ccc2ccccc2c1,0,1.0,
+Nc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl,0,0.0,
+Nc1ccccc1S(=O)(=O)NC1=NCCCCC1,0,0.0,
+Nc1ccccc1S(=O)(=O)c1ccccc1N,0,1.0,
+Nc1ccccc1SC1CC(=O)N(Cc2ccccc2)C1=O,0,2.0,
+Nc1ccccc1SCC(=O)N1CCc2ccccc21,0,0.0,
+Nc1ccccc1SCC(=O)Nc1ccc(N2CCOCC2)cc1,0,3.0,
+Nc1ccccc1SCC(=O)Nc1nc(-c2ccccc2)cs1,0,0.0,
+Nc1ccccc1SCC(=O)Nc1nccs1,0,0.0,
+Nc1ccccc1SCC1CSc2nc3ccccc3c(=O)n21,0,0.0,
+Nc1ccccc1SCc1cc([N+](=O)[O-])cc2c1OCOC2,0,3.0,
+Nc1ccccc1SCc1ccccc1,0,12.0,
+Nc1ccccc1SCc1cn2ccccc2n1,0,3.0,
+Nc1ccccc1SCc1cn2cccnc2n1,0,3.0,
+Nc1ccccc1Sc1ccccc1[N+](=O)[O-],0,2.0,
+Nc1ccccc1Sc1nc2ccccc2[nH]1,0,0.0,
+Nc1cccn2c(-c3ccc(Cl)c(Cl)c3)cnc12,0,1.0,
+Nc1cccn2c(-c3ccc(Cl)cc3)cnc12,0,0.0,
+Nc1cccnc1-n1nc(C(F)(F)F)cc1C(F)(F)F,0,1.0,
+Nc1cccnc1Sc1cc(Cl)c(Cl)cc1Cl,0,2.0,
+Nc1cccnc1Sc1cc(Cl)cc(Cl)c1,0,5.0,
+Nc1cccnc1Sc1ccc(Cl)cc1,0,0.0,
+Nc1cccnc1Sc1ccc([N+](=O)[O-])cn1,0,4.0,
+Nc1cccnc1Sc1cccc(Cl)c1,0,12.0,
+Nc1ccn(-c2ccc(Cl)cc2)c(=O)c1,0,0.0,
+Nc1ccn(-c2ccccc2)c(=O)c1,0,3.0,
+Nc1ccn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1,0,0.0,
+Nc1ccn(Cc2ccc(F)cc2)n1,0,0.0,
+Nc1ccn(Cc2cccc(Cl)c2)n1,0,0.0,
+Nc1ccn(Cc2cccc(F)c2)n1,0,2.0,
+Nc1ccn(Cc2ccccc2)n1,0,0.0,
+Nc1ccn(Cc2ccccc2F)n1,0,6.0,
+Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1,0,0.0,
+Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,0,2.0,
+Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1,0,0.0,
+Nc1ccnc(C(F)(F)F)c1C(=O)c1ccccc1,0,0.0,
+Nc1ccnc(Oc2ccc(F)cc2)c1,0,11.0,
+Nc1ccncc1,0,0.0,
+Nc1ccncc1Cl,0,5.0,
+Nc1ccnn1C1CCNCC1,0,0.0,
+Nc1ccnn1Cc1ccc(Br)s1,0,0.0,
+Nc1ccnn1Cc1cccnc1,0,0.0,
+Nc1ccnn1Cc1cccs1,0,9.0,
+Nc1ccnn1Cc1ccncc1,0,0.0,
+Nc1cnc(-c2ccccc2)nc1Cl,0,4.0,
+Nc1cnc(Br)cc1Br,0,0.0,
+Nc1cncc(C(=O)O)c1,0,0.0,
+Nc1cnccc1C(=O)O,0,0.0,
+Nc1cnn(C2CCCO2)c(=O)n1,0,3.0,
+Nc1cnn(C2OC(CO)C(O)C2O)c(=O)n1,0,0.0,
+Nc1cnn(Cc2ccc(F)cc2)c1,0,0.0,
+Nc1cnn(Cc2ccccc2F)c1,0,0.0,
+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(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1,0,0.0,
+Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1,0,7.0,
+Nc1n[nH]c(-c2ccccc2)c1-c1ccccc1,0,0.0,
+Nc1n[nH]c(-c2ccccc2)n1,0,3.0,
+Nc1n[nH]c(-c2ccccc2[N+](=O)[O-])n1,0,0.0,
+Nc1n[nH]c(=S)n1/N=C1/C(=O)Nc2ccccc21,0,0.0,
+Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1,0,0.0,
+Nc1n[nH]c(C2CCCCC2)n1,0,0.0,
+Nc1n[nH]c(CCCO)n1,0,7.0,
+Nc1n[nH]c(N)c1N=Nc1ccc(Cl)cc1,0,2.0,
+Nc1n[nH]c(N)c1N=Nc1ccc(Cl)cc1Cl,0,0.0,
+Nc1n[nH]c(N)c1N=Nc1ccc(F)cc1,0,0.0,
+Nc1n[nH]c(N)c1N=Nc1ccc2c(c1)OCO2,0,0.0,
+Nc1n[nH]c(N)c1N=Nc1cccc(F)c1,0,2.0,
+Nc1n[nH]c(N)c1N=Nc1ccccc1,0,0.0,
+Nc1n[nH]c(S(=O)(=O)CCCc2ccccc2)n1,0,6.0,
+Nc1n[nH]c2c1C1(CCCC1)Cc1ccccc1-2,0,1.0,
+Nc1n[nH]c2c1C1(CCCCC1)Cc1ccccc1-2,0,5.0,
+Nc1n[nH]c2cc(=O)n(-c3ccc(Cl)cc3)nc12,0,1.0,
+Nc1n[nH]c2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc12,0,0.0,
+Nc1n[nH]c2ccccc12,0,2.0,
+Nc1nc(-c2c[nH]c3ccccc23)cs1,0,3.0,
+Nc1nc(-c2cc(Cl)cc(Cl)c2OC(F)F)cs1,0,3.0,
+Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1,0,0.0,
+Nc1nc(-c2ccc(Br)cc2)c(S(=O)(=O)c2ccccc2)s1,0,0.0,
+Nc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1,0,0.0,
+Nc1nc(-c2ccc(Br)cc2)cs1,0,1.0,
+Nc1nc(-c2ccc(Br)s2)c(Br)s1,0,0.0,
+Nc1nc(-c2ccc(C(=O)O)cc2)cs1,0,16.0,
+Nc1nc(-c2ccc(Cl)cc2)c(N=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1,0,4.0,
+Nc1nc(-c2ccc(Cl)cc2)c(S(=O)(=O)c2ccccc2)s1,0,0.0,
+Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1,0,0.0,
+Nc1nc(-c2ccc(Cl)cc2)cn1N,0,0.0,
+Nc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1cccnc1,0,3.0,
+Nc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1ccco1,0,0.0,
+Nc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1cccs1,0,0.0,
+Nc1nc(-c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1,0,0.0,
+Nc1nc(-c2ccc(Cl)cc2Cl)cn1N,0,3.0,
+Nc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1,0,5.0,
+Nc1nc(-c2ccc(F)cc2)cs1,0,0.0,
+Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1,0,0.0,
+Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1,0,0.0,
+Nc1nc(-c2ccc3c(c2)CCCC3)cs1,0,2.0,
+Nc1nc(-c2ccc3c(c2)CCO3)cs1,0,0.0,
+Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1,0,3.0,
+Nc1nc(-c2ccc3c(c2)OCCO3)cs1,1,20.0,
+Nc1nc(-c2ccc3ccccc3c2)c(C2(O)C(=O)Nc3c(Br)cc(F)cc32)s1,0,0.0,
+Nc1nc(-c2ccc3ccccc3c2)cs1,0,0.0,
+Nc1nc(-c2cccc(Br)c2)cs1,0,0.0,
+Nc1nc(-c2cccc(F)c2)cs1,0,0.0,
+Nc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1,0,1.0,
+Nc1nc(-c2ccccc2)[nH]c(=O)c1N,0,2.0,
+Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1,0,1.0,
+Nc1nc(-c2ccccc2)c(-c2ccccc2)s1,0,0.0,
+Nc1nc(-c2ccccc2)c(C(=O)Nc2ccccc2)s1,0,1.0,
+Nc1nc(-c2ccccc2)c(N=Nc2ccc(Cl)cc2)s1,0,3.0,
+Nc1nc(-c2ccccc2)c(N=Nc2cccc3ccccc23)s1,0,0.0,
+Nc1nc(-c2ccccc2)c(N=Nc2ccccc2Cl)s1,0,0.0,
+Nc1nc(-c2ccccc2)c(N=Nc2cccnc2)s1,0,0.0,
+Nc1nc(-c2ccccc2)cc(-c2ccccc2O)n1,0,0.0,
+Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1,0,0.0,
+Nc1nc(-c2ccccc2)cc(N2CCCCC2)n1,0,15.0,
+Nc1nc(-c2ccccc2)cn1N,0,0.0,
+Nc1nc(-c2ccccc2)cs1,0,0.0,
+Nc1nc(-c2ccccc2)nc(-c2ccccc2O)n1,0,0.0,
+Nc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3,0,0.0,
+Nc1nc(-c2ccccc2)nn1C(=O)Cc1ccccc1,0,6.0,
+Nc1nc(-c2ccccc2)nn1C(=O)c1ccco1,0,2.0,
+Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1,0,0.0,
+Nc1nc(-c2ccccc2Br)cs1,0,0.0,
+Nc1nc(-c2ccccn2)nc(N)c1Cc1c(F)cccc1Cl,0,2.0,
+Nc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl,0,4.0,
+Nc1nc(-c2ccccn2)nc(N)c1Cc1ccccc1F,0,0.0,
+Nc1nc(-c2cccnc2)nc(N2CCCCC2)n1,0,0.0,
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+Nc1nc(SCC(=O)NCCOCCO)nc2sc3c(c12)CCCC3,0,4.0,
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+Nc1nc(SCC(=O)NCc2ccc(F)cc2)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1,0,5.0,
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+Nc1nc(SCC(=O)NCc2ccccc2Cl)[nH]c(=O)c1NC(=O)c1ccccc1F,0,3.0,
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+Nc1nc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n[nH]1,0,0.0,
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+Nc1nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n[nH]1,0,3.0,
+Nc1nc(SCC(=O)Nc2ccc(Br)cc2F)n[nH]1,0,0.0,
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+Nc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n[nH]1,0,0.0,
+Nc1nc(SCC(=O)Nc2ccc3c(c2)CCC3)n[nH]1,0,0.0,
+Nc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)n[nH]1,0,0.0,
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+Nc1nc(SCC(=O)Nc2ccccc2)[nH]c(=O)c1NC(=O)c1cccs1,0,4.0,
+Nc1nc(SCC(=O)Nc2ccccc2)nc2nc3c(cc12)CCCC3,0,0.0,
+Nc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)n[nH]1,0,0.0,
+Nc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)[nH]c(=O)c1-c1ccccc1,0,4.0,
+Nc1nc(SCC(=O)Nc2ccccc2Oc2ccccc2)n[nH]1,0,0.0,
+Nc1nc(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n[nH]1,0,1.0,
+Nc1nc(SCC(=O)Nc2ccccc2Sc2ccccc2)n[nH]1,0,5.0,
+Nc1nc(SCC(=O)Nc2cccnc2Cl)n[nH]1,0,1.0,
+Nc1nc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)n[nH]1,0,0.0,
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+Nc1nc(SCC(=O)OCc2ccccc2)[nH]c(=O)c1NC(=O)c1ccco1,0,0.0,
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+Nc1nc(SCC(=O)c2cc3ccccc3o2)n[nH]1,0,0.0,
+Nc1nc(SCC(=O)c2ccc(Br)s2)n[nH]1,0,1.0,
+Nc1nc(SCC(=O)c2ccc(F)cc2)n[nH]1,0,5.0,
+Nc1nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1,0,0.0,
+Nc1nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1,0,0.0,
+Nc1nc(SCC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1,0,0.0,
+Nc1nc(SCC(=O)c2cccs2)n[nH]1,0,0.0,
+Nc1nc(SCCC(F)=C(F)F)n[nH]1,0,0.0,
+Nc1nc(SCCN2C(=O)c3ccccc3C2=O)n[nH]1,0,0.0,
+Nc1nc(SCCO)[nH]c(=O)c1NC(=O)c1ccccc1F,0,0.0,
+Nc1nc(SCCOc2ccccc2)n[nH]1,0,0.0,
+Nc1nc(SCc2c(Cl)cccc2Cl)n[nH]1,0,0.0,
+Nc1nc(SCc2c(F)cccc2Cl)[nH]c(=O)c1-c1ccccc1,0,0.0,
+Nc1nc(SCc2ccc(Br)cc2)[nH]c(=O)c1-c1ccccc1,0,8.0,
+Nc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1,0,0.0,
+Nc1nc(SCc2ccc(Cl)cc2)[nH]c(=O)c1-c1ccccc1,0,14.0,
+Nc1nc(SCc2ccc(Cl)cc2)nc2nc3c(cc12)CCCC3,0,0.0,
+Nc1nc(SCc2ccc(Cl)cc2)ns1,0,0.0,
+Nc1nc(SCc2ccc(Cl)cc2Cl)n[nH]1,0,0.0,
+Nc1nc(SCc2ccc(Cl)cc2Cl)nc2nc3c(cc12)CCCC3,0,0.0,
+Nc1nc(SCc2ccc(Cl)cc2Cl)ns1,0,4.0,
+Nc1nc(SCc2ccc(F)cc2)ns1,0,5.0,
+Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn(C3OC(CO)C(O)C3O)c2n1,0,2.0,
+Nc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2nc3c(cc12)CCCC3,0,0.0,
+Nc1nc(SCc2ccc3c(c2)OCCO3)n[nH]1,0,2.0,
+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(SCc2ccccc2Cl)[nH]c(=O)c1-c1ccccc1,0,4.0,
+Nc1nc(SCc2ccccc2Cl)n[nH]1,0,0.0,
+Nc1nc(SCc2ccccc2Cl)nc2nc3c(cc12)CCCC3,0,0.0,
+Nc1nc(SCc2ccccc2Cl)ns1,0,0.0,
+Nc1nc(SCc2nc(-c3ccccc3)no2)[nH]c(=O)c1-c1ccccc1,0,9.0,
+Nc1nc(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n[nH]1,0,0.0,
+Nc1nc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n[nH]1,0,1.0,
+Nc1nc(SCc2nc3scc(-c4cccs4)c3c(=O)[nH]2)n[nH]1,0,1.0,
+Nc1nc(SCc2nnc(SCC(=O)O)n2-c2ccccc2)nc2sc3c(c12)CCCC3,0,1.0,
+Nc1nc(SCn2nnc3ccccc3c2=O)n[nH]1,0,0.0,
+Nc1nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1,0,1.0,
+Nc1nc(Sc2ccc(C(F)(F)F)cn2)n[nH]1,0,0.0,
+Nc1nc2c(Cl)cc(Cl)cc2s1,0,3.0,
+Nc1nc2c(Cl)ccc(Cl)c2s1,0,0.0,
+Nc1nc2c(Cl)cccc2s1,0,7.0,
+Nc1nc2c(F)c(F)c(F)cc2s1,0,3.0,
+Nc1nc2c(F)cccc2s1,0,0.0,
+Nc1nc2c([N+](=O)[O-])cccc2s1,0,0.0,
+Nc1nc2c(c(=O)[nH]1)C(c1cccc3ccccc13)C1=C(N2)c2ccccc2C1=O,0,0.0,
+Nc1nc2c(c3c1c(=O)oc1ccccc13)CCCCC2,0,0.0,
+Nc1nc2c(nc(SCc3ccccc3Br)n2C2OC(CO)C(O)C2O)c(=O)[nH]1,0,6.0,
+Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1,0,0.0,
+Nc1nc2c(ncn2COCCO)c(=O)[nH]1,0,0.0,
+Nc1nc2c(s1)C(=O)CC(c1ccccc1)C2,0,0.0,
+Nc1nc2c(s1)C(=O)CCC2,0,7.0,
+Nc1nc2c(s1)CC(c1ccccc1)CC2,0,0.0,
+Nc1nc2c(s1)CCc1c-2cnn1-c1ccccc1,0,0.0,
+Nc1nc2c(s1)COc1ccccc1-2,0,0.0,
+Nc1nc2c3ccccc3nc(C3CC3)n2n1,0,0.0,
+Nc1nc2c3ccccc3nc(Cc3ccccc3)n2n1,0,0.0,
+Nc1nc2ccc(-c3nc4ccccc4o3)cc2s1,0,0.0,
+Nc1nc2ccc(C(=O)NC3CCCCC3)cc2s1,0,0.0,
+Nc1nc2ccc(C(=O)NCCOC(=O)C3CCCCC3)cc2s1,0,1.0,
+Nc1nc2ccc(C(=O)Nc3ccccc3)cc2s1,0,0.0,
+Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,0,0.0,
+Nc1nc2ccc(Cl)cc2s1,0,6.0,
+Nc1nc2ccc(F)cc2s1,0,0.0,
+Nc1nc2ccc(N3CCOCC3)cc2s1,0,0.0,
+Nc1nc2ccc(O)cc2s1,0,1.0,
+Nc1nc2ccc(OC(F)(F)F)cc2s1,0,0.5,
+Nc1nc2ccc(Oc3ccccc3)cc2s1,0,0.0,
+Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1,0,3.0,
+Nc1nc2ccc(S(=O)(=O)c3ccc4nc(N)sc4c3)cc2s1,0,1.0,
+Nc1nc2ccc([N+](=O)[O-])c(N)c2s1,0,0.0,
+Nc1nc2ccccc2cc1S(=O)(=O)c1ccccc1,0,1.0,
+Nc1nc2ccccc2n1/N=C/c1ccc(-c2ccccc2)o1,0,5.0,
+Nc1nc2ccccc2n1/N=C/c1ccc(Br)cc1,0,11.0,
+Nc1nc2ccccc2n1/N=C/c1ccc([N+](=O)[O-])s1,0,1.0,
+Nc1nc2ccccc2n1/N=C/c1cccnc1,0,0.0,
+Nc1nc2ccccc2n1C(=O)CCc1ccccc1,0,13.0,
+Nc1nc2ccccc2n1C(=O)c1ccc(F)cc1,0,0.0,
+Nc1nc2ccccc2n1C(=O)c1ccccc1,0,0.0,
+Nc1nc2ccccc2n1C(=O)c1ccco1,0,0.0,
+Nc1nc2ccccc2n1C(=O)c1cccs1,0,0.0,
+Nc1nc2ccccc2n1CCN1CCCC1,0,6.0,
+Nc1nc2ccccc2n1CCOc1ccccc1Cl,0,0.0,
+Nc1nc2ccccc2nc1N,0,0.0,
+Nc1nc2ccccc2nc1N1CCCC1,0,2.0,
+Nc1nc2n(c1C(=O)c1ccccc1)CCC2,0,1.0,
+Nc1nc2n(n1)C(=O)CC(c1ccc(Cl)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(=O)CC(c1ccccc1)N2,0,0.0,
+Nc1nc2n(n1)C(=O)CC(c1ccccc1[N+](=O)[O-])N2,0,1.0,
+Nc1nc2n(n1)C(c1c(F)cccc1Cl)CC(c1ccc(F)cc1)N2,0,1.0,
+Nc1nc2n(n1)C(c1ccc(Cl)cc1)CC(c1ccc(F)cc1)N2,0,14.0,
+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)N2,0,2.0,
+Nc1nc2n(n1)C(c1ccco1)CC(c1ccc(Cl)c(Cl)c1)N2,0,1.0,
+Nc1nc2n(n1)C(c1ccco1)CC(c1ccc(Cl)cc1)N2,0,0.0,
+Nc1nc2n(n1)C(c1ccco1)CC(c1ccc(Cl)cc1Cl)N2,0,1.0,
+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)N2,0,1.0,
+Nc1nc2n(n1)C(c1cccs1)CC(c1ccc(F)cc1)N2,0,3.0,
+Nc1nc2n(n1)C(c1cccs1)CC(c1ccccc1)N2,0,0.0,
+Nc1nc2n(n1)C1(CCCCC1)C1=C(CCCC1)N2,0,0.0,
+Nc1nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1,0,7.0,
+Nc1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1,0,5.0,
+Nc1nc2nc(-c3ccc(OCc4ccccc4)cc3)cc(C(F)(F)F)n2n1,0,0.0,
+Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1,0,5.0,
+Nc1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,0,0.0,
+Nc1nc2nc(SCC(=O)N3CCCc4ccccc43)[nH]c2c(=O)[nH]1,0,1.0,
+Nc1nc2ncc(-c3ccsc3)c(N)n2n1,0,0.0,
+Nc1nc2nccc(-c3ccc(Cl)cc3)n2n1,0,2.0,
+Nc1nc2nccc(-c3ccccn3)n2n1,0,2.0,
+Nc1nc2nccc(-c3cccnc3)n2n1,0,10.0,
+Nc1nc2nccc(-c3ccco3)n2n1,0,2.0,
+Nc1nc2nonc2nc1N1CCCCC1,0,4.0,
+Nc1nc2sc3c(c2c(=O)s1)CCCC3,0,4.0,
+Nc1nc2sc3c(c2cc1C(=O)N1CCOCC1)CCCC3,0,1.0,
+Nc1ncc(-c2cc3ccccc3oc2=O)s1,0,0.0,
+Nc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1,0,0.0,
+Nc1ncc(-c2ccccc2)n1CC1CCCO1,0,5.0,
+Nc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1,0,0.0,
+Nc1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1,0,0.0,
+Nc1ncc(-n2cncn2)c(-c2ccc(Cl)cc2)n1,0,1.0,
+Nc1ncc(-n2cncn2)c(-c2ccccc2)n1,0,2.0,
+Nc1ncc(Br)cc1Br,0,1.0,
+Nc1ncc(Br)cc1N=Cc1ccccc1,0,0.0,
+Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N1CCN(c2ccccn2)CC1,0,0.0,
+Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1,0,0.0,
+Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)Nc1cccc(Cl)c1,0,0.0,
+Nc1ncc(CCN2CCOCC2)c(-c2ccc(F)cc2)n1,0,2.0,
+Nc1ncc(P(=S)(N2CCOCC2)N2CCOCC2)s1,0,0.0,
+Nc1ncc2c(n1)-c1cc(Cl)ccc1SC2,0,2.0,
+Nc1ncc2c(n1)-c1ccccc1CC2,0,2.0,
+Nc1ncc2c(n1)CC(c1ccco1)CC2=O,0,0.0,
+Nc1nccc(-c2ccc(-n3cccc3)cc2)n1,0,2.0,
+Nc1nccc(-c2ccc(-n3cnc4ccccc43)cc2)n1,0,0.0,
+Nc1nccc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1,0,2.0,
+Nc1nccc(-c2cccc(OCc3c(F)cccc3Cl)c2)n1,0,0.0,
+Nc1nccc(-c2cccs2)n1,0,0.0,
+Nc1nccc(/C=C/c2c(F)cccc2Cl)n1,0,1.0,
+Nc1ncccc1OCc1ccc(Br)cc1,0,0.0,
+Nc1ncccc1OCc1cccc(C(F)(F)F)c1,0,0.0,
+Nc1nccnc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+Nc1ncn(-c2ncc(C(F)(F)F)cc2Cl)n1,0,0.0,
+Nc1ncn(C(=O)c2ccco2)n1,0,6.0,
+Nc1ncn(C23CC4CC(CC(C4)C2)C3)n1,0,0.0,
+Nc1ncn(CC(=O)c2ccccc2)n1,0,0.0,
+Nc1ncnc(N(c2ccccc2)C2CCCCC2)c1[N+](=O)[O-],0,2.0,
+Nc1ncnc(N2CCOCC2)c1N,0,2.0,
+Nc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-],0,0.0,
+Nc1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-],0,3.0,
+Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-],0,0.0,
+Nc1ncnc(NNC(=O)CNC(=O)c2c(F)cccc2Cl)c1[N+](=O)[O-],0,0.0,
+Nc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-],0,0.0,
+Nc1ncnc(Nc2ccc(F)cc2)n1,0,0.0,
+Nc1ncnc(Nc2cccc(C(F)(F)F)c2)n1,0,0.0,
+Nc1ncnc(Nc2cccc(Cl)c2Cl)n1,0,0.0,
+Nc1ncnc(Nc2ccccc2C(F)(F)F)n1,0,0.0,
+Nc1ncnc(Nc2ccccn2)c1[N+](=O)[O-],0,2.0,
+Nc1ncnc(Oc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-],0,2.0,
+Nc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-],0,1.0,
+Nc1ncnc(Oc2ccccc2F)c1[N+](=O)[O-],0,0.0,
+Nc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-],0,0.0,
+Nc1ncnc(Sc2ccccc2)c1[N+](=O)[O-],0,0.0,
+Nc1ncnc(Sc2ncccn2)c1[N+](=O)[O-],0,2.0,
+Nc1ncnc2c1C1(CCCCC1)Cc1ccccc1-2,0,0.0,
+Nc1ncnc2c1CCC2,0,1.0,
+Nc1ncnc2c1cnn2-c1ccccc1,0,0.0,
+Nc1ncnc2c1nc(SCCO)n2Cc1ccccc1,0,8.0,
+Nc1ncnc2c1ncn2C1CCC(CO)C(O)C1,0,7.0,
+Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O,0,0.0,
+Nc1ncnc2c1ncn2CCN1CCCCC1,0,0.0,
+Nc1ncnc2c1ncn2CCN1CCOCC1,0,0.0,
+Nc1ncnc2c1ncn2CCNCCc1ccccc1,0,0.0,
+Nc1ncnc2c1ncn2CCOc1ccccc1,0,0.0,
+Nc1ncnc2c1ncn2Cc1ccccc1,0,0.0,
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1O,0,5.0,
+Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0,0.0,
+Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,0,2.0,
+Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,0,2.0,
+Nc1ncnc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12,0,0.0,
+Nc1ncnc2nc(N3CCN(C(=O)c4ccccc4)CC3)[nH]c12,0,2.0,
+Nc1ncnc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)[nH]c12,0,0.0,
+Nc1ncnc2nc(SCCN3CCCCC3)[nH]c12,0,0.0,
+Nc1ncnc2nc(SCCOc3ccc(Cl)cc3)[nH]c12,0,0.0,
+Nc1ncnc2nc(SCCc3ccccc3)[nH]c12,0,1.0,
+Nc1ncnc2nc(SCc3ccc(Cl)cc3Cl)[nH]c12,0,1.0,
+Nc1ncnc2nc(SCc3ccccc3)[nH]c12,0,0.0,
+Nc1ncnc2nc(Sc3ccc(Cl)cc3)[nH]c12,0,5.0,
+Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12,0,0.0,
+Nc1ncncc1-c1ccc([N+](=O)[O-])cc1,0,1.0,
+Nc1nn(-c2cccc(F)n2)cc1-c1ccc(Cl)cc1,0,0.0,
+Nc1nn(-c2cccc(F)n2)cc1-c1ccccc1,0,0.0,
+Nc1nn(-c2ccccc2)c(N)c1N=Nc1ccc2c(c1)OCO2,0,3.0,
+Nc1nn(-c2ccccc2)c(N)c1N=Nc1ccccc1,0,0.0,
+Nc1nn(-c2ccccc2)c(N)c1N=Nc1ccccc1F,0,0.0,
+Nc1nn(-c2ccccc2)nc1C(=O)OCc1ccccc1F,1,30.0,0.0
+Nc1nn(S(=O)(=O)c2cccc3nsnc23)cc1-c1ccc(Br)cc1,0,0.0,
+Nc1nn(S(=O)(=O)c2ccccc2)cc1-c1ccc([N+](=O)[O-])cc1,0,0.0,
+Nc1nn(S(=O)(=O)c2ccccc2)cc1-c1cccc([N+](=O)[O-])c1,0,0.0,
+Nc1nn2c(-c3ccccc3)cc(=O)[nH]c2c1N=Nc1ccc(Br)cc1,0,5.0,
+Nc1nn2c(-c3ccccc3)cc(=O)[nH]c2c1N=Nc1ccc(O)cc1,0,3.0,
+Nc1nn2c(C(F)(F)F)cc(=O)[nH]c2c1N=Nc1cccc(F)c1,0,3.0,
+Nc1nn2cc(-c3ccccc3)nc2c2ccccc12,0,0.0,
+Nc1nnc(-c2cc3c(ccc4ccccc43)oc2=O)s1,0,3.0,
+Nc1nnc(-c2cc3ccccc3oc2=O)s1,0,3.0,
+Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1,0,4.0,
+Nc1nnc(-c2ccc(Cl)c([N+](=O)[O-])c2)s1,0,8.0,
+Nc1nnc(-c2ccc(Cl)cc2)s1,0,0.0,
+Nc1nnc(-c2ccc(Cl)cc2Cl)s1,0,1.0,
+Nc1nnc(-c2ccc(F)cc2)s1,0,0.0,
+Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1,0,3.0,
+Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1,0,0.0,
+Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1,0,5.0,
+Nc1nnc(-c2ccccc2)s1,0,0.0,
+Nc1nnc(-c2ccccc2Cl)s1,0,4.0,
+Nc1nnc(-c2ccccc2F)s1,0,0.0,
+Nc1nnc(-c2ccccc2[N+](=O)[O-])o1,0,3.0,
+Nc1nnc(-c2cccnc2)s1,0,3.0,
+Nc1nnc(-c2ccco2)s1,0,1.0,
+Nc1nnc(-c2cccs2)s1,0,0.0,
+Nc1nnc(-c2ccncc2)s1,0,0.0,
+Nc1nnc(-c2cn(-c3ccccc3)nc2-c2ccccc2)o1,0,0.0,
+Nc1nnc(/C=C/c2ccccc2)s1,0,1.0,
+Nc1nnc(C(=O)c2ccccc2N)s1,0,0.0,
+Nc1nnc(C(F)(F)F)s1,0,0.0,
+Nc1nnc(C(c2ccccc2)c2ccccc2)s1,0,3.0,
+Nc1nnc(C2CCCC2)s1,0,0.0,
+Nc1nnc(CC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)s1,0,5.0,
+Nc1nnc(CC(=O)N/N=C/c2ccc(-c3ccccc3)o2)s1,0,0.0,
+Nc1nnc(CC(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)s1,0,1.0,
+Nc1nnc(CC(=O)N/N=C/c2cccc(OCCOc3ccccc3)c2)s1,0,0.0,
+Nc1nnc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1,0,0.0,
+Nc1nnc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)s1,0,0.0,
+Nc1nnc(CC(=O)N2CCCCC2)s1,0,0.0,
+Nc1nnc(CC(=O)NCc2ccccc2)s1,0,0.0,
+Nc1nnc(CC(c2ccccc2)c2ccccc2)s1,0,0.0,
+Nc1nnc(CC2=CCCCC2)s1,0,0.0,
+Nc1nnc(CCC2CCCCC2)s1,0,0.0,
+Nc1nnc(CCCCCCCCCCc2nnc(N)s2)s1,0,0.0,
+Nc1nnc(CCCCCc2nnc(N)s2)s1,0,0.0,
+Nc1nnc(CCCCc2cccs2)o1,0,0.0,
+Nc1nnc(CCN2C(=O)CSC2=O)s1,0,4.0,
+Nc1nnc(CCN2CCCCC2)s1,0,7.0,
+Nc1nnc(CCOc2ccc(Cl)cc2)s1,0,0.0,
+Nc1nnc(CCOc2ccccc2Cl)s1,0,1.0,
+Nc1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1,0,0.0,
+Nc1nnc(CCS(=O)(=O)c2ccc(Br)cc2)s1,0,6.0,
+Nc1nnc(CCS(=O)(=O)c2ccc(Cl)cc2)s1,0,1.0,
+Nc1nnc(CCc2ccccc2)s1,0,2.0,
+Nc1nnc(COc2ccc(Br)cc2Br)s1,0,2.0,
+Nc1nnc(COc2cccc(C(F)(F)F)c2)s1,0,0.0,
+Nc1nnc(COc2ccccc2)s1,0,0.0,
+Nc1nnc(CSCc2ccc(Cl)cc2)s1,0,10.0,
+Nc1nnc(CSCc2ccc(Cl)cc2Cl)s1,0,4.0,
+Nc1nnc(CSCc2ccc(F)cc2)s1,0,0.0,
+Nc1nnc(CSCc2cccc(Br)c2)s1,0,6.0,
+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)s1,0,1.0,
+Nc1nnc(Cc2ccc(Cl)cc2)s1,0,0.0,
+Nc1nnc(Cc2ccc(Cl)cc2Cl)s1,0,3.0,
+Nc1nnc(Cc2ccccc2)s1,0,0.0,
+Nc1nnc(Cc2ccccc2F)s1,0,2.0,
+Nc1nnc(N)c2ccccc12,0,0.0,
+Nc1nnc(N2CCCCC2)s1,0,0.0,
+Nc1nnc(N2CCCCCC2)s1,0,9.0,
+Nc1nnc(N2CCc3ccccc32)s1,0,2.0,
+Nc1nnc(SC2CC(=O)N(c3ccccc3)C2=O)s1,0,3.0,
+Nc1nnc(SC2CCCC2)s1,0,0.0,
+Nc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1,0,0.0,
+Nc1nnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1-c1ccccc1,0,5.0,
+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)N2CCc3ccccc3C2)s1,0,3.0,
+Nc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)s1,0,3.0,
+Nc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccccc1,0,2.0,
+Nc1nnc(SCC(=O)NC2CCCCC2)s1,0,5.0,
+Nc1nnc(SCC(=O)NCCOc2ccccc2)s1,0,0.0,
+Nc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1,0,1.0,
+Nc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1,0,6.0,
+Nc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)s1,0,4.0,
+Nc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1,0,0.0,
+Nc1nnc(SCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)s1,0,2.0,
+Nc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-c1ccccc1,0,0.0,
+Nc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1,0,12.0,
+Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1,0,0.0,
+Nc1nnc(SCC(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)s1,0,0.0,
+Nc1nnc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)s1,0,1.0,
+Nc1nnc(SCC(=O)Nc2ccccc2N2CCOCC2)s1,0,0.0,
+Nc1nnc(SCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)s1,0,0.0,
+Nc1nnc(SCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)s1,0,5.0,
+Nc1nnc(SCC(=O)OCC(=O)NC2CCCCC2)s1,0,0.0,
+Nc1nnc(SCC(=O)OCC(=O)Nc2ccc(Br)cc2)s1,0,0.0,
+Nc1nnc(SCC(=O)OCC(=O)Nc2ccc(Br)cc2F)s1,0,4.0,
+Nc1nnc(SCC(=O)OCC(=O)Nc2ccccc2)s1,0,0.0,
+Nc1nnc(SCC(=O)OCC(=O)Nc2ccccc2F)s1,0,0.0,
+Nc1nnc(SCC(=O)OCC(=O)c2ccccc2)s1,0,2.0,
+Nc1nnc(SCC(=O)OCC(=O)c2ccccc2Br)s1,0,0.0,
+Nc1nnc(SCC(=O)OCc2ccc(Cl)c(Cl)c2)s1,0,7.0,
+Nc1nnc(SCC(=O)OCc2ccc(F)cc2)s1,0,0.0,
+Nc1nnc(SCC(=O)OCc2ccccc2)s1,0,0.0,
+Nc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)s1,0,0.0,
+Nc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1,0,0.0,
+Nc1nnc(SCC(=O)c2ccc3ccccc3c2)s1,0,0.0,
+Nc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)s1,0,0.0,
+Nc1nnc(SCC(=O)c2ccccc2)s1,0,0.0,
+Nc1nnc(SCC(=O)c2ccco2)s1,0,5.0,
+Nc1nnc(SCCCC(=O)c2ccc(Br)cc2)s1,0,4.0,
+Nc1nnc(SCCCC(=O)c2ccc(F)cc2)s1,0,4.0,
+Nc1nnc(SCCCC(=O)c2ccccc2)s1,0,1.0,
+Nc1nnc(SCCN2C(=O)c3ccccc3C2=O)s1,0,0.0,
+Nc1nnc(SCCN2C(=O)c3ccccc3S2(=O)=O)s1,0,0.0,
+Nc1nnc(SCCOc2ccc(Br)cc2)s1,0,0.0,
+Nc1nnc(SCCOc2cccc(Br)c2)s1,0,3.0,
+Nc1nnc(SCCOc2ccccc2)s1,0,0.0,
+Nc1nnc(SCc2cc3c(cc2Cl)OCO3)s1,0,7.0,
+Nc1nnc(SCc2ccc(Br)cc2)n1-c1ccccc1,0,0.0,
+Nc1nnc(SCc2ccc(Cl)cc2)s1,0,3.0,
+Nc1nnc(SCc2ccc(F)cc2)n1-c1ccccc1,0,5.0,
+Nc1nnc(SCc2ccc(F)cc2)s1,0,0.0,
+Nc1nnc(SCc2ccc(F)cc2Cl)s1,0,0.0,
+Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1,0,0.0,
+Nc1nnc(SCc2ccc3c(c2)OCO3)s1,0,0.0,
+Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1,0,3.0,
+Nc1nnc(SCc2ccccc2)n1-c1ccccc1,0,7.0,
+Nc1nnc(SCc2ccccc2Cl)s1,0,0.0,
+Nc1nnc(SCc2ccccc2F)n1-c1ccccc1,0,0.0,
+Nc1nnc(SCc2cccnc2)s1,0,5.0,
+Nc1nnc(SCc2cn3cc(Cl)ccc3n2)s1,0,2.0,
+Nc1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)s1,0,0.0,
+Nc1nnc(SCc2nnc(-c3ccccc3)o2)s1,0,1.0,
+Nc1nnc(SCn2nnc3ccccc3c2=O)s1,0,0.0,
+Nc1nnc(Sc2ccc(Cl)cc2[N+](=O)[O-])s1,0,0.0,
+Nc1nnc(Sc2ncccc2[N+](=O)[O-])s1,0,0.0,
+Nc1nnc2c(n1)CCCC2,0,3.0,
+Nc1nncn1C(=O)CCCN1C(=O)c2ccccc2C1=O,0,0.0,
+Nc1nncn1C(=O)CCCOc1ccc(Cl)cc1Cl,0,4.0,
+Nc1nncn1C(=O)CCCOc1ccccc1,0,11.0,
+Nc1nncn1C(=O)CCc1ccccc1,0,0.0,
+Nc1nncn1C(=O)c1c(Cl)cccc1Cl,0,0.0,
+Nc1nncn1C(=O)c1cc(Br)ccc1Cl,0,5.0,
+Nc1nncn1C(=O)c1ccc(Cl)cc1Cl,0,11.0,
+Nc1nncn1C(=O)c1ccccc1Cl,0,0.0,
+Nc1nncn1C(=O)c1cccs1,0,1.0,
+Nc1nnn(CC(=O)N/N=C/c2cccc3ccccc23)n1,0,0.0,
+Nc1nnn(Cc2ccccc2)n1,0,4.0,
+Nc1nnnn1/N=C/C(Br)=C/c1ccccc1,0,0.0,
+Nc1nnnn1/N=C/C=C/c1ccccc1,0,3.0,
+Nc1nnnn1/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl,0,0.0,
+Nc1nnnn1/N=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1,0,0.0,
+Nc1nnnn1/N=C/c1ccc(O)cc1,0,0.0,
+Nc1nnnn1/N=C/c1cccc(O)c1,0,2.0,
+Nc1nnnn1/N=C/c1cccc(OCc2ccccc2Cl)c1,0,5.0,
+Nc1nnnn1/N=C/c1cccc(Oc2ccccc2)c1,0,0.0,
+Nc1nnnn1/N=C/c1ccccc1C(F)(F)F,0,5.0,
+Nc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1,0,1.0,
+Nc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl,0,7.0,
+Nc1nnnn1/N=C/c1ccccc1OCc1ccccc1,0,0.0,
+Nc1nnnn1/N=C/c1ccccn1,0,3.0,
+Nc1nnnn1/N=C/c1ccco1,0,0.0,
+Nc1nnnn1/N=C/c1cccs1,0,2.0,
+Nc1nnnn1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1,0,0.0,
+Nc1nnnn1CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl,0,0.0,
+Nc1nnnn1CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O,0,0.0,
+Nc1nnnn1CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1,0,5.0,
+Nc1nnnn1CC(=O)OCc1cccc(Br)c1,0,1.0,
+Nc1nnnn1N=C1CCCCC1,0,0.0,
+Nc1nnnn1NCc1cccc(OCc2ccccc2)c1,0,0.0,
+Nc1no[n+]([O-])c1-c1ccccc1,0,0.0,
+Nc1nonc1-c1nc2ccccc2[nH]1,0,0.0,
+Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1,0,0.0,
+Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1,0,4.0,
+Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1,0,0.0,
+Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCCCC1,0,3.0,
+Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCN(c2ccc(F)cc2)CC1,0,15.0,
+Nc1nonc1-c1nc2ccccc2n1CC(=O)NC1CCCC1,0,9.0,
+Nc1nonc1-c1nc2ccccc2n1CC(=O)O,0,2.0,
+Nc1nonc1-c1nc2ccccc2n1CCC(=O)O,0,2.0,
+Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1,0,13.0,
+Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1,1,33.0,
+Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1Cl,0,16.0,
+Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1,0,18.0,
+Nc1nonc1-c1noc(-c2ccc(Br)o2)n1,0,0.0,
+Nc1nonc1-c1noc(-c2ccccc2)n1,0,0.0,
+Nc1nonc1-c1noc(-c2ccccc2Br)n1,0,5.0,
+Nc1nonc1-c1noc(CCCCCN2C(=O)c3ccccc3C2=O)n1,0,1.0,
+Nc1nonc1-c1noc(CCCN2C(=O)c3ccccc3C2=O)n1,0,4.0,
+Nc1nonc1-c1noc(CCCOc2ccc(Cl)cc2Cl)n1,0,6.0,
+Nc1nonc1-c1noc(COc2ccccc2Cl)n1,0,0.0,
+Nc1nonc1-c1noc(N2CCCCC2)n1,0,7.0,
+Nc1nonc1-c1noc(N2CCOCC2)n1,0,7.0,
+Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Br)ccc2O)c1CSC1=NCCS1,0,4.0,
+Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Br)cc2)c1CSC1=NCCS1,0,0.0,
+Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2)c1CSc1ccc(Cl)cc1,0,0.0,
+Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2)c1CSc1ccc(Cl)cc1,0,0.0,
+Nc1nonc1-n1nnc(C(=O)O)c1-c1cccs1,0,5.0,
+Nc1nonc1-n1nnc(C(=O)c2ccccc2)c1-c1ccccc1,0,5.0,
+Nc1nonc1-n1nncc1-c1ccccc1,0,0.0,
+Nc1nonc1/C(=N/O)N1CCCC1,0,8.0,
+Nc1nonc1/C(=N/O)N1CCN(CCO)CC1,0,0.0,
+Nc1nonc1C(=Nc1ccc(Br)cc1)NO,0,0.0,
+Nc1nonc1C(=Nc1ccccc1)NO,0,3.0,
+Nc1nonc1C(=O)N/N=C/c1cc(Br)ccc1O,0,0.0,
+Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1,0,0.0,
+Nc1nonc1C(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1,0,6.0,
+Nc1nonc1C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1,0,4.0,
+Nc1nonc1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1,0,0.0,
+Nc1nonc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1,0,0.0,
+Nc1nonc1C(=O)N/N=C/c1ccncc1,0,0.0,
+Nc1nonc1C(=O)N1CCCC1,0,0.0,
+Nc1nonc1C(=O)N1CCCCC1,0,2.0,
+Nc1nonc1C(=O)NC(c1ccccc1)c1ccccc1,0,0.0,
+Nc1nonc1C(=O)NCC1CCCO1,0,2.0,
+Nc1nonc1C(=O)NCCN=Cc1cc(Cc2ccccc2)cc(Br)c1O,0,1.0,
+Nc1nonc1C(=O)NCCN=Cc1ccccc1O,0,0.0,
+Nc1nonc1C(=O)NCCNC(=O)c1ccccc1F,0,0.0,
+Nc1nonc1C(=O)NCCNC(=O)c1cccs1,0,1.0,
+Nc1nonc1C(=O)NCCNCc1c(OCc2ccccc2F)ccc2ccccc12,1,33.0,
+Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccc(F)cc1,0,13.0,
+Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccccc1F,1,44.0,
+Nc1nonc1C(=O)NCCNCc1ccccc1,0,2.0,
+Nc1nonc1C(=O)NCCNCc1ccccc1OCc1ccc(F)cc1,0,10.0,
+Nc1nonc1C(=O)NCCNCc1ccccc1OCc1ccccc1F,0,15.0,
+Nc1nonc1C(=O)NCCNS(=O)(=O)c1ccc(Br)cc1,0,0.0,
+Nc1nonc1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1,0,0.0,
+Nc1nonc1C(=O)NCCNc1ccc([N+](=O)[O-])cn1,0,0.0,
+Nc1nonc1C(=O)NCCNc1ncccc1[N+](=O)[O-],0,0.0,
+Nc1nonc1C(=O)NCCc1ccccc1,0,0.0,
+Nc1nonc1C(=O)OCC(=O)N1CCCCC1,0,5.0,
+Nc1nonc1C(=O)OCC(=O)N1CCOCC1,0,3.0,
+Nc1nonc1C(=O)OCC(=O)c1ccc(Cl)cc1,0,4.0,
+Nc1nonc1N/N=C/c1c(O)ccc2ccccc12,0,0.0,
+Nc1nonc1N1CCCCC1,0,0.0,
+Nc1nonc1NC(=O)CSc1nc2ccccc2s1,0,15.0,
+Nc1nonc1NC(=O)CSc1ncccc1C(=O)O,0,1.0,
+Nc1nonc1NC(=O)NN=C1CCCCC1,0,3.0,
+Nc1nonc1OCCCCOc1nonc1N,0,0.0,
+Nc1nonc1OCCOCCOCCOc1nonc1N,0,6.0,
+Nc1nonc1OCCc1ccccc1,0,0.0,
+Nc1nsc2ccccc12,0,0.0,
+Nc1nsnc1C(=O)NCCO,0,0.0,
+Nc1oc2ccc(F)cc2c(=O)c1C=O,0,0.0,
+Nc1oc2ccccc2c(=O)c1C=O,0,0.0,
+Nc1sc(-c2ccccc2)c(Cc2ccccc2)c1C(=O)O,0,0.0,
+Nc1sc(-c2ccccc2)cc1C(=O)O,0,5.0,
+Nc1sc2c([n+]1CCCS(=O)(=O)[O-])CCCC2,0,1.0,
+Nc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCC2,0,0.0,
+Nc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCCC2,0,0.0,
+Nc1sc2c(c1C(=O)NCCc1ccccc1)CCC2,0,0.0,
+Nc1sc2c(c1C(=O)c1ccccc1)CCCC2,0,0.0,
+Nc1scc(-c2ccncc2)c1Cl,0,0.0,
+Nc1scc2c(C(=O)N/N=C/c3ccc(Cl)cc3)nn(-c3ccccc3)c(=O)c12,0,0.0,
+Nc1sccc1C(=O)c1ccc(Cl)cc1,0,0.0,
+Nc1sccc1C(=O)c1ccccc1,0,0.0,
+Nn1c(-c2cccc(Br)c2)n[nH]c1=S,0,4.0,
+Nn1c(-c2ccccc2)nc2ccccc2c1=O,0,5.0,
+Nn1c(-c2ccccc2)nnc1-c1ccccc1,0,0.0,
+Nn1c(-c2ccccc2Cl)nnc1-c1ccccc1Cl,0,0.0,
+Nn1c(-c2ccccn2)nnc1-c1ccccn1,0,0.0,
+Nn1c(-c2ccco2)n[nH]c1=S,0,5.0,
+Nn1c(-c2cccs2)nc2sc3c(c2c1=O)CCCC3,0,1.0,
+Nn1c(=O)[nH]c2c([nH]c3ccccc32)c1=O,0,0.0,
+Nn1c(=O)[nH]c2ccccc2c1=O,0,0.0,
+Nn1c(=O)c2ccccc2n2c(SCc3ccc(C(F)(F)F)cc3)nnc12,0,1.0,
+Nn1c(=O)c2ccccc2n2c(SCc3ccccc3)nnc12,0,0.0,
+Nn1c(=S)[nH]nc(Cc2ccc(O)cc2)c1=O,0,4.0,
+Nn1c(CN2CCCCC2)nc2ccccc2c1=O,0,2.0,
+Nn1c(COc2ccc(Cl)cc2)n[nH]c1=S,0,4.0,
+Nn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O,0,1.0,
+Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)N1CCc2ccccc2C1,0,0.0,
+Nn1c(COc2cccc(Cl)c2)nc2ccccc2c1=O,0,1.0,
+Nn1c(COc2ccccc2)nc2ccccc2c1=O,0,0.0,
+Nn1c(COc2ccccc2)nnc1SC(F)F,0,2.0,
+Nn1c(COc2ccccc2)nnc1SCC(=O)O,0,7.0,
+Nn1c(COc2ccccc2)nnc1SCc1cc(=O)[nH]c2ccccc12,0,0.0,
+Nn1c(CSc2ccccn2)nc2ccccc2c1=O,0,1.0,
+Nn1c(CSc2nc3ccccc3o2)nnc1CSc1nc2ccccc2o1,0,16.0,
+Nn1c(Cc2ccc(Br)cc2)n[nH]c1=S,0,7.0,
+Nn1c(Cc2ccc(F)cc2)n[nH]c1=S,0,0.0,
+Nn1c(Cc2cccc3ccccc23)n[nH]c1=S,0,2.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SC1CCOC1=O,0,2.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,0,0.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NC1CCS(=O)(=O)C1,0,0.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SCCOc1ccc(Br)cc1,0,2.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SCCOc1ccc(F)cc1,0,4.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl,0,1.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(F)cccc1Cl,0,0.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccc(Cl)c(Cl)c1,0,1.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1,0,0.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1Cl,0,6.0,
+Nn1c(Cc2cccc3ccccc23)nnc1SCn1nnc2ccccc2c1=O,0,0.0,
+Nn1c(Cc2ccccc2)n[nH]c1=S,0,2.0,
+Nn1c(Cc2ccccc2F)n[nH]c1=S,0,3.0,
+Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,0,3.0,
+Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1,0,3.0,
+Nn1c(Cc2ccccc2F)nnc1SCCOc1ccc(Cl)cc1,0,0.0,
+Nn1c(Cc2ccccc2F)nnc1SCn1nnc2ccccc2c1=O,0,0.0,
+Nn1c(N2CCCCC2)nc2ccccc21,0,5.0,
+Nn1c(Nc2ccc(Cl)cc2)nncc1=O,0,1.0,
+Nn1c(Nc2ccccc2)nc2ccccc21,0,3.0,
+Nn1c(Nc2ccccc2)nc2ccccc2c1=O,0,0.0,
+Nn1c(Nc2ccccc2)nc2sc3c(c2c1=O)CCC3,0,0.0,
+Nn1c(Nc2ccccc2)nc2sc3c(c2c1=O)CCCC3,0,4.0,
+Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccccn1,0,0.0,
+Nn1c(SC/C=C/c2ccccc2)nnc1-c1cccnc1,0,1.0,
+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-c1ccncc1,0,4.0,
+Nn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccncc1,0,19.0,
+Nn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1,0,4.0,
+Nn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1,0,0.0,
+Nn1c(SCC(=O)N2CCCc3ccccc32)nncc1=O,0,0.0,
+Nn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nnc1-c1cccs1,0,0.0,
+Nn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnc1-c1cccs1,0,0.0,
+Nn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1Cl,0,0.0,
+Nn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1Cl,0,6.0,
+Nn1c(SCC(=O)N2CCOCC2)nnc1-c1ccco1,0,0.0,
+Nn1c(SCC(=O)N2CCOCC2)nnc1C1CC1,0,4.0,
+Nn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1,0,0.0,
+Nn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccccc1F,0,0.0,
+Nn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1C1CC1,0,0.0,
+Nn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(OC(F)F)cc1,0,0.0,
+Nn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nnc1C1CC1,0,0.0,
+Nn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1F,0,0.0,
+Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(Cl)cc1,0,0.0,
+Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1,0,4.0,
+Nn1c(SCC(=O)NC2CCCCC2)nnc1C1CC1,0,0.0,
+Nn1c(SCC(=O)NC2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1Cl,0,3.0,
+Nn1c(SCC(=O)NC2CCCc3ccccc32)nnc1-c1cccs1,0,0.0,
+Nn1c(SCC(=O)NCCC2=CCCCC2)nnc1C(F)(F)F,0,0.0,
+Nn1c(SCC(=O)NCCC2=CCCCC2)nnc1C1CCCCC1,0,9.0,
+Nn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1C1CC1,0,2.0,
+Nn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1,0,0.0,
+Nn1c(SCC(=O)NCc2ccccc2)nncc1=O,0,0.0,
+Nn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nnc1-c1cccnc1,0,1.0,
+Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1C1CCCCC1,0,1.0,
+Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccn1,0,1.0,
+Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1,0,1.0,
+Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CCCCC1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1,0,2.0,
+Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1C1CCCCC1,0,1.0,
+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,0,1.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(Cl)c1,0,2.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1,0,1.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccncc1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C(F)(F)F,0,3.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C1CC1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C1CCCCC1,0,0.0,
+Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nncc1=O,0,0.0,
+Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1C1CCCCC1,0,1.0,
+Nn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1C1CC1,0,0.0,
+Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1,0,0.0,
+Nn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O,0,0.0,
+Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1,0,1.0,
+Nn1c(SCC(=O)Nc2nc3ccccc3s2)nncc1=O,0,0.0,
+Nn1c(SCC(=O)Nc2nccs2)nncc1=O,0,0.0,
+Nn1c(SCCOc2ccc(Cl)cc2)nnc1-c1cccnc1,0,1.0,
+Nn1c(SCCOc2ccccc2)nnc1-c1cccnc1,0,2.0,
+Nn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1cccnc1,0,8.0,
+Nn1c(SCc2ccc(Br)cc2)nnc1-c1ccccn1,0,2.0,
+Nn1c(SCc2ccc(Br)cc2)nnc1-c1ccncc1,0,0.0,
+Nn1c(SCc2ccc3c(c2)OCO3)nc2c(cnn2-c2ccccc2)c1=O,0,4.0,
+Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1,0,8.0,
+Nn1c(SCc2cccc(Oc3ccccc3)c2)nnc1C(F)(F)F,0,6.0,
+Nn1c(SCc2cccc3ccccc23)nnc1-c1ccco1,0,7.0,
+Nn1c(SCc2ccccc2)nc2c(cnn2-c2ccccc2)c1=O,0,0.0,
+Nn1c(SCc2ccccc2)nnc1-c1ccccn1,0,3.0,
+Nn1c(SCc2ccccc2)nnc1-c1ccco1,0,8.0,
+Nn1c(SCc2ccccn2)nncc1=O,0,2.0,
+Nn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1ccncc1,0,0.0,
+Nn1c(SCc2cn3ccccc3n2)nnc1-c1ccncc1,0,2.0,
+Nn1c(SCc2cn3ccsc3n2)nnc1-c1ccncc1,0,0.0,
+Nn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1cccs1,0,0.0,
+Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1,0,0.0,
+Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1,0,4.0,
+Nn1c(SCc2nc3ccccc3[nH]2)nnc1C1CCCCC1,0,1.0,
+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)c2ccc3ccccc3c2)CC1,0,2.0,
+Nn1cc(-c2ccccc2)nc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,9.0,
+Nn1cc(-c2ccccc2)nc1SCC(=O)NC1CCS(=O)(=O)C1,0,0.0,
+Nn1cc(-c2ccccc2)nc1SCC(=O)NCC(F)(F)F,0,2.0,
+Nn1cc(-c2ccccc2)nc1SCC(=O)NCC1CCCO1,0,0.0,
+Nn1cc(-c2ccccc2)nc1SCC(=O)NCCN1C(=O)CSC1=O,0,0.0,
+Nn1cc(-c2ccccc2)nc1SCC(=O)NCCc1ccccc1,0,0.0,
+Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc2c(c1)OCO2,0,3.0,
+Nn1cnc2c([nH]c3ccccc32)c1=O,0,0.0,
+Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,0,4.0,
+Nn1cnc2sc3c(c2c1=O)CCC3,0,2.0,
+Nn1cnc2scc(-c3cccs3)c2c1=O,0,0.0,
+Nn1cnn(Cc2ccccc2)c1=S,0,0.0,
+Nn1cnnc1N/N=C/c1cc(Br)cc(Br)c1O,0,4.0,
+Nn1cnnc1N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl,0,0.0,
+Nn1cnnc1N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1,0,0.0,
+Nn1cnnc1N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1,0,0.0,
+Nn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccccc1,0,0.0,
+Nn1cnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1,0,0.0,
+Nn1cnnc1SCC(=O)Nc1ccc(C2CCCCC2)cc1,0,2.0,
+Nn1cnnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,0.0,
+Nn1cnnc1SCC(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+O/C(=C\Sc1nnc(Cc2ccccc2)o1)c1ccc(Br)cc1,0,5.0,
+O/C(=C\Sc1nnc(Cc2ccccc2)o1)c1ccc(F)cc1,0,0.0,
+O/C(=C\c1ccc2ccccc2n1)c1ccc(O)cc1O,0,0.0,
+O/C(=C\c1nc2ccccc2nc1/C=C(\O)c1ccccc1)c1ccccc1,0,3.0,
+O/N=C(/CCc1ccccc1)C1(O)CCCCC1,0,0.0,
+O/N=C(/CCc1ccccc1)c1ccc2c(c1)OCCO2,0,1.0,
+O/N=C(/CN(O)/C=C1/C=CC=N1)c1cccs1,0,0.0,
+O/N=C(/Cc1ccccn1)c1ccccc1,0,2.0,
+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(\c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl,0,4.0,
+O/N=C(\c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl,0,3.0,
+O/N=C(\c1ccc2c(c1)OCCO2)C1CCCCC1,0,0.0,
+O/N=C(\c1ccccn1)C1CC1c1ccccc1,0,6.0,
+O/N=C/C(=N\N=C\N1CCCCC1)c1ccc(F)cc1,0,2.0,
+O/N=C/C(=N\N=C\N1CCCCC1)c1ccccc1,0,0.0,
+O/N=C/C(=N\N=C\N1CCNCC1)c1ccc(F)cc1,0,5.0,
+O/N=C/C1=C(Cl)c2ccccc2CC1,0,3.0,
+O/N=C/CCn1c(=S)sc2ccccc21,0,0.0,
+O/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12,1,33.0,
+O/N=C/c1c[nH]c2ccccc12,0,3.0,
+O/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1,0,6.0,
+O/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1,0,16.0,
+O/N=C/c1cc(Br)ccc1OCc1cccc(F)c1,0,13.0,
+O/N=C/c1cc(Br)ccc1OCc1ccccc1F,0,8.0,
+O/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12,0,8.0,
+O/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl,0,10.0,
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+O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)NCCN1C(=O)CSC1=O,0,0.0,
+O=C(COC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)NC1CCCC1,0,16.0,
+O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)Nc1ncc(Cl)cc1Cl,0,3.0,
+O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ncc(Cl)cc1Cl,0,0.0,
+O=C(COC(=O)c1sc2ccccc2c1Cl)NC1CCCCC1,0,0.0,
+O=C(COC(=O)c1sc2ccccc2c1Cl)NCC1CCCCC1,0,0.0,
+O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ncc(Cl)cc1Cl,0,0.0,
+O=C(COCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1,0,0.0,
+O=C(COCC(=O)N/N=C/c1ccccc1F)N/N=C/c1ccccc1F,0,2.0,
+O=C(COCC(=O)N1CCOCC1)N1CCOCC1,0,0.0,
+O=C(COCC(=O)NCc1ccccc1)NCc1ccccc1,0,4.0,
+O=C(COCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1,0,0.0,
+O=C(COCCOCC(=O)N(c1ccccn1)C1CCCCC1)N(c1ccccn1)C1CCCCC1,0,0.0,
+O=C(COCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)O,0,0.0,
+O=C(COCc1nc2ccccc2c(=O)[nH]1)NC1CCCC1,0,0.0,
+O=C(COCc1nc2ccccc2c(=O)[nH]1)NCC1CCCCC1,0,0.0,
+O=C(CON=C1c2ccccc2-c2ccccc21)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(CONS(=O)(=O)c1ccc(Cl)cc1)NCCNc1ncc(C(F)(F)F)cc1Cl,0,0.0,
+O=C(COS(=O)c1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1,0,14.0,
+O=C(COc1c(Br)cc(Br)c2cccnc12)N1CCCCC1,0,1.0,
+O=C(COc1c(Br)cc(Br)c2cccnc12)N1CCc2ccccc2C1,0,5.0,
+O=C(COc1c(Br)cc(Br)c2cccnc12)Nc1ccccc1F,0,0.0,
+O=C(COc1c(CO)cc(Br)cc1CO)NC1CCCc2ccccc21,0,4.0,
+O=C(COc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1,0,0.0,
+O=C(COc1c(Cl)cccc1Cl)NN1C(=O)CSC1=S,0,5.0,
+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)NC1CCCC1,0,1.0,
+O=C(COc1cc(=O)n2c(n1)SCCC2)c1ccccc1,0,0.0,
+O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccn2)CC1,0,0.0,
+O=C(COc1cc(Cl)c(Cl)cc1Cl)NC(=O)NC1CCCC1,0,1.0,
+O=C(COc1cc(Cl)c(Cl)cc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2,0,2.0,
+O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCN1CCOCC1,0,0.0,
+O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCc1ccccn1,0,2.0,
+O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccncc1,0,0.0,
+O=C(COc1cc(Cl)c(Cl)cc1Cl)Nn1cnnc1,0,5.0,
+O=C(COc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)CCC2,0,0.0,
+O=C(COc1cc(Cl)ccc1Cl)Nc1nnc(CC(=O)N2CCOCC2)s1,0,3.0,
+O=C(COc1cc(F)ccc1[N+](=O)[O-])NCCCc1ccccc1,0,4.0,
+O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1,0,0.0,
+O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1cccc(Br)c1,0,4.0,
+O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1ccc(F)cc1,0,0.0,
+O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1ccccc1,0,3.0,
+O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(O)ccc1Br,0,6.0,
+O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccccc1Br,0,6.0,
+O=C(COc1ccc(-c2ccccc2)cc1)N1CCCC1,0,2.0,
+O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cccnc2)CC1,0,3.0,
+O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cccs2)CC1,0,0.0,
+O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,2.0,
+O=C(COc1ccc(-c2ccccc2)cc1)NN=C1CCCC1,0,6.0,
+O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)NC1CCCCC1,0,7.0,
+O=C(COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1)N1CCCCC1,0,4.0,
+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)NC1CCCc2ccccc21,0,2.0,
+O=C(COc1ccc(-c2nnco2)cc1)NCc1ccccc1Cl,0,0.0,
+O=C(COc1ccc(-n2ccnc2)cc1)Nc1cccc(Cl)c1,0,0.0,
+O=C(COc1ccc(-n2cnnn2)cc1)N1CCN(c2ccc(F)cc2)CC1,0,2.0,
+O=C(COc1ccc(-n2cnnn2)cc1)NC(=O)NCc1ccccc1,0,0.0,
+O=C(COc1ccc(-n2cnnn2)cc1)NC1CCCCC1,0,6.0,
+O=C(COc1ccc(-n2cnnn2)cc1)NCCc1ccc(F)cc1,0,3.0,
+O=C(COc1ccc(/C=C\[N+](=O)[O-])cc1)N1CCOCC1,0,0.0,
+O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1)Nc1ccccc1Cl,0,0.0,
+O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1)Nc1ccccc1Cl,0,0.0,
+O=C(COc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1)NCc1ccco1,0,0.0,
+O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br)Nc1ccccc1,0,0.0,
+O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Cl)Nc1ccccc1,0,1.0,
+O=C(COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1,0,1.0,
+O=C(COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1)Nc1cccc([N+](=O)[O-])c1,0,2.0,
+O=C(COc1ccc(/C=N/NC(=O)c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1,0,0.0,
+O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)Nc1ccc([N+](=O)[O-])cc1,0,3.0,
+O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)Nc1ccccc1,0,0.0,
+O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)N1CCOCC1,0,0.0,
+O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1,0,3.0,
+O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)NCc1ccccc1,0,0.0,
+O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)Nc1ccc(F)cc1,0,0.0,
+O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)Nc1cccc(Cl)c1,1,42.0,
+O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)Nc1ccccc1,0,9.0,
+O=C(COc1ccc(=O)n(-c2ccccc2)n1)Nc1ccccc1,0,0.0,
+O=C(COc1ccc(Br)cc1)N(CCO)CCO,0,3.0,
+O=C(COc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccn1,0,0.0,
+O=C(COc1ccc(Br)cc1)N/N=C1/SCC(=O)N1Cc1ccccc1,0,1.0,
+O=C(COc1ccc(Br)cc1)N/N=C1/SCC(=O)N1Cc1ccco1,0,0.0,
+O=C(COc1ccc(Br)cc1)N/N=C1\SCC(=O)N1c1ccc(F)cc1,0,0.0,
+O=C(COc1ccc(Br)cc1)N1CCC(c2ccccc2)C1,0,0.0,
+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(Cc2c[nH]c3ccccc23)CC1,0,2.0,
+O=C(COc1ccc(Br)cc1)N1CCN(Cc2ccncc2)CC1,0,2.0,
+O=C(COc1ccc(Br)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1,0,0.0,
+O=C(COc1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1,0,4.0,
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+O=C(COc1ccc(Br)cc1)N1CCOCC1,0,0.0,
+O=C(COc1ccc(Br)cc1)N1CCc2ccccc2C1,0,0.0,
+O=C(COc1ccc(Br)cc1)NCCO,0,2.0,
+O=C(COc1ccc(Br)cc1)NCc1ccccn1,0,0.0,
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+O=C(COc1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1,0,0.0,
+O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,0,4.0,
+O=C(COc1ccc(Br)cc1)Nc1ccc(Cc2ccncc2)cc1,0,0.0,
+O=C(COc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cn1,1,20.0,
+O=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)NC2=O,0,11.0,
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+O=C(COc1ccc(Br)cc1)Nc1ccncc1,0,2.0,
+O=C(COc1ccc(Br)cc1)OCc1nnc(-c2ccccc2)o1,0,2.0,
+O=C(COc1ccc(Br)cc1)c1ccc2c(c1)CCCC2,0,18.0,
+O=C(COc1ccc(Br)cc1Br)NC(=O)NC1CCCC1,0,0.0,
+O=C(COc1ccc(Br)cc1Br)NC(=S)N1CCCc2ccccc21,0,15.0,
+O=C(COc1ccc(Br)cc1Br)NC(=S)Nc1cccc(CO)c1,0,0.0,
+O=C(COc1ccc(Br)cc1Br)NC1CCCC1,0,0.0,
+O=C(COc1ccc(Br)cc1CNC1CCCC1)Nc1ccccc1,0,16.0,
+O=C(COc1ccc(Br)cc1CNC1CCCCC1)NCCc1ccccc1,1,26.0,0.0
+O=C(COc1ccc(Br)cc1CNCCCN1CCOCC1)Nc1ccccc1,0,5.0,
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+O=C(COc1ccc(Br)cc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2,0,4.0,
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+O=C(COc1ccc(Br)cc1F)NC1CCN(Cc2ccccc2)CC1,0,9.0,
+O=C(COc1ccc(C(=O)NCCc2ccccc2)cc1)Nc1ccccc1,0,0.0,
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+O=C(COc1ccc(C(=S)N2CCOCC2)cc1Cl)Nc1ccccc1Cl,0,2.0,
+O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1,0,11.0,
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+O=C(COc1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1,0,0.0,
+O=C(COc1ccc(Cl)c(Cl)c1)NN1C(=O)C2C(C1=O)C1C=CC2C12CC2,0,3.0,
+O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1,0,1.0,
+O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1,0,0.0,
+O=C(COc1ccc(Cl)cc1)N/N=C/CCc1ccccc1,0,7.0,
+O=C(COc1ccc(Cl)cc1)N1CCCC1,0,10.0,
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+O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2,0,12.0,
+O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1,0,4.0,
+O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2ccc3nncn3n2)c1,0,0.0,
+O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1,0,5.0,
+O=C(COc1ccc(Cl)cc1)Nc1ccccc1CO,0,3.0,
+O=C(COc1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1,0,4.0,
+O=C(COc1ccc(Cl)cc1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1,0,2.0,
+O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1,0,0.0,
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+O=C(COc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1,0,4.0,
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+O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)o1,0,2.0,
+O=C(COc1ccc(Cl)cc1)Nc1nnc(C2=COCCO2)o1,1,22.0,0.0
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+O=C(COc1ccc(Cl)cc1Br)N1CCN(c2ccccc2)CC1,0,4.0,
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+O=C(COc1ccc(Cl)cc1Br)NNC(=O)C(=O)N1CCCCC1,0,3.0,
+O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccco1)C1CCS(=O)(=O)C1,0,4.0,
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+O=C(COc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/c1c[nH]c2ccccc12,0,4.0,
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+O=C(COc1ccc(Cl)cc1Cl)NCc1ccncc1,0,0.0,
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+O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2cccs2)CC1,0,3.0,
+O=C(COc1ccc2ccccc2c1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1,0,14.0,
+O=C(COc1ccc2ccccc2c1)N1CCN(CC2CC3C=CC2C3)CC1,0,12.0,
+O=C(COc1ccc2ccccc2c1)N1CCN(Cc2c[nH]c3ccccc23)CC1,0,0.0,
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+O=C(COc1ccc2ccccc2c1)N1CCN(c2ccccc2O)CC1,0,2.0,
+O=C(COc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21,0,5.0,
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+O=C(COc1ccc2ccccc2c1)NC1CC1,0,0.0,
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+O=C(COc1ccc2ccccc2c1Br)Nn1cnnc1,0,16.0,
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+O=C(CSc1ncccn1)NC(=O)Nc1ccc2c(c1)OCCO2,0,3.0,
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+O=C(CSc1ncccn1)NC1CCCc2ccccc21,0,0.0,
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+O=C(CSc1ncccn1)NCc1ccccc1,0,0.0,
+O=C(CSc1ncccn1)NCc1ccccc1Cl,0,0.0,
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+O=C(CSc1ncccn1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0.0,
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+O=C(NCc1ccco1)C(c1ccco1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21,0,16.0,
+O=C(NCc1ccco1)C(c1ccco1)N(Cc1cccs1)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)c1ccccc1,0,2.0,
+O=C(NCc1ccco1)C(c1cccs1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21,0,8.0,
+O=C(NCc1ccco1)C(c1ccncc1)N(C(=O)Cc1cccs1)c1cccc(F)c1,0,0.0,
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+O=C(NCc1ccco1)C(c1ccncc1)N(CCC1=CCCCC1)C(=O)Cn1nnc2ccccc21,0,12.0,
+O=C(NCc1ccco1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,13.0,
+O=C(NCc1ccco1)C1(c2ccc(Br)cc2)CCCC1,0,12.0,
+O=C(NCc1ccco1)C1(c2ccc(Cl)cc2)CCCC1,0,5.0,
+O=C(NCc1ccco1)C1(c2ccccc2)CCCC1,0,1.0,
+O=C(NCc1ccco1)C12CC3CC(C1)CC(C(=O)NCc1ccco1)(C3)C2,0,2.0,
+O=C(NCc1ccco1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NCc1ccco1)C12CN(Cc3ccccc3)CC1C(c1ccc([N+](=O)[O-])cc1)=NO2,0,2.0,
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+O=C(NCc1ccco1)C1CC(=O)N(c2ccc(Cl)cc2)C1,0,0.0,
+O=C(NCc1ccco1)C1CC(=O)N(c2ccc(F)cc2)C1,0,5.0,
+O=C(NCc1ccco1)C1CC(=O)N(c2ccc(O)cc2)C1,0,12.0,
+O=C(NCc1ccco1)C1CC(c2c(Cl)cccc2Cl)=NO1,0,1.0,
+O=C(NCc1ccco1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1,0,18.0,
+O=C(NCc1ccco1)C1CC(c2ccc(Cl)cc2)=NO1,0,11.0,
+O=C(NCc1ccco1)C1CC(c2cccc([N+](=O)[O-])c2)=NO1,0,1.0,
+O=C(NCc1ccco1)C1CC(c2ccccc2O)=NO1,0,3.0,
+O=C(NCc1ccco1)C1CC2CCC1C2,0,0.0,
+O=C(NCc1ccco1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCC(N2C(=O)C3C4CCC(C4)C3C2=O)CC1,0,6.0,
+O=C(NCc1ccco1)C1CCC(N2C(=O)c3ccccc3C2=O)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCCCC1,0,3.0,
+O=C(NCc1ccco1)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,0,8.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)Cc2ccccc2)C1,0,0.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1,0,0.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1,0,2.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1,0,0.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0,3.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,0,0.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,0,1.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2ccccc2)C1,0,0.0,
+O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,0,0.0,
+O=C(NCc1ccco1)C1CCCN1C(=O)NCc1ccccc1,0,2.0,
+O=C(NCc1ccco1)C1CCCN1C(=O)Nc1ccc(Cl)cc1,0,1.0,
+O=C(NCc1ccco1)C1CCCN1C(=O)Nc1cccc(Cl)c1,0,0.0,
+O=C(NCc1ccco1)C1CCCN1C(=O)Nc1ccccc1,0,0.0,
+O=C(NCc1ccco1)C1CCCN1C(=O)Nc1ccccc1Cl,0,0.0,
+O=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1,0,4.0,
+O=C(NCc1ccco1)C1CCN(C(=O)Cc2ccccc2)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)CC1,0,3.0,
+O=C(NCc1ccco1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1,0,0.0,
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+O=C(NCc1ccco1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1,0,0.0,
+O=C(NCc1ccco1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,0,1.0,
+O=C(NCc1ccco1)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1,0,0.0,
+O=C(NCc1ccco1)C1CCN(c2nnc(-n3cccc3)s2)CC1,0,3.0,
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+O=C(NCc1ccco1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
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+O=C(NCc1ccco1)Nc1ccc([N+](=O)[O-])cc1,0,0.0,
+O=C(NCc1ccco1)Nc1ccc2nsnc2c1,0,0.0,
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+O=C(NCc1ccco1)c1cccc2c1C(=O)N(C1CCCCC1)C2,0,0.0,
+O=C(NCc1ccco1)c1cccc2ccccc12,0,0.0,
+O=C(NCc1ccco1)c1ccccc1-c1ccc(C(F)(F)F)cc1,0,11.0,
+O=C(NCc1ccco1)c1ccccc1-c1ccccc1,0,0.0,
+O=C(NCc1ccco1)c1ccccc1-c1nc(-c2ccccc2)no1,0,7.0,
+O=C(NCc1ccco1)c1ccccc1Br,0,3.0,
+O=C(NCc1ccco1)c1ccccc1F,0,5.0,
+O=C(NCc1ccco1)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1,0,3.0,
+O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1,0,0.0,
+O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1,0,0.0,
+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)cc1,0,9.0,
+O=C(NCc1ccco1)c1cccn2c(=O)c3c4c(sc3nc12)CCCC4,0,4.0,
+O=C(NCc1ccco1)c1cccn2c(=O)c3cc4ccccc4cc3nc12,0,0.0,
+O=C(NCc1ccco1)c1cccn2c(=O)c3sccc3nc12,0,0.0,
+O=C(NCc1ccco1)c1cccnc1-c1nc2ccccc2s1,0,6.0,
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+O=C(NCc1ccco1)c1cccs1,0,0.0,
+O=C(NCc1ccco1)c1cnc2ccccn2c1=O,0,0.0,
+O=C(NCc1ccco1)c1cnc2n(c1=O)CCS2,0,1.0,
+O=C(NCc1ccco1)c1cnc2sccn2c1=O,0,0.0,
+O=C(NCc1ccco1)c1cnccn1,0,2.0,
+O=C(NCc1ccco1)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12,0,17.0,
+O=C(NCc1ccco1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,0,5.0,
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+O=C(NCc1ccco1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12,0,7.0,
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+O=C(NCc1ccco1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F,0,0.0,
+O=C(NCc1ccco1)c1cnn2cccnc12,0,1.0,
+O=C(NCc1ccco1)c1csc(Nc2ccccc2Cl)n1,0,0.0,
+O=C(NCc1ccco1)c1csc2c1CCCC2,0,0.0,
+O=C(NCc1ccco1)c1csc2c1CCCCC2,0,4.0,
+O=C(NCc1ccco1)c1n[nH]c(=O)c2ccccc12,0,0.0,
+O=C(NCc1ccco1)c1nc(-c2ccc(F)cc2)no1,1,24.0,0.0
+O=C(NCc1ccco1)c1nc(-c2ccccc2)n(-c2ccccc2)n1,0,4.0,
+O=C(NCc1ccco1)c1nc2c(nnn2Cc2cccc(Cl)c2)c(=O)[nH]1,0,9.0,
+O=C(NCc1ccco1)c1nc2c(nnn2Cc2ccccc2Cl)c(=O)[nH]1,0,11.0,
+O=C(NCc1ccco1)c1nc2ccccc2s1,0,2.0,
+O=C(NCc1ccco1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,0,12.0,
+O=C(NCc1ccco1)c1nc2ncccn2n1,0,0.0,
+O=C(NCc1ccco1)c1nn(-c2ccccc2)c(=O)c2ccccc12,0,0.0,
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+O=C(NCc1ccco1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl,0,0.0,
+O=C(NCc1ccco1)c1nn2cccnc2c1Cl,0,1.0,
+O=C(NCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)o1,0,4.0,
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+O=C(NCc1ccco1)c1noc2c1CCCCC2,0,1.0,
+O=C(NCc1ccco1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12,0,8.0,
+O=C(NCc1ccco1)c1sc2cc(Cl)ccc2c1Cl,0,2.0,
+O=C(NCc1ccco1)c1sc2cc(F)ccc2c1Cl,0,5.0,
+O=C(NCc1ccco1)c1sc2cccc(F)c2c1Cl,0,8.0,
+O=C(NCc1ccco1)c1sc2ccccc2c1Cl,0,5.0,
+O=C(NCc1ccco1)c1scc2c1OCCO2,0,3.0,
+O=C(NCc1cccs1)C(=O)NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1,0,8.0,
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+O=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1,0,9.0,
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+O=C(NCc1cccs1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,0,0.0,
+O=C(NCc1cccs1)C12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NCc1cccs1)C1CC(=O)N(C2CCCC2)C1,0,4.0,
+O=C(NCc1cccs1)C1CC(=O)N(c2ccc(Cl)cc2)C1,0,2.0,
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+O=C(NCc1cccs1)C1CC(=O)N(c2ccccc2)C1,0,0.0,
+O=C(NCc1cccs1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1,1,23.0,0.0
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+O=C(NCc1cccs1)C1CC(c2ccc(F)cc2)=NO1,0,2.0,
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+O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1,0,0.0,
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+O=C(NCc1cccs1)C1CCCN(c2nc3ccccc3o2)C1,0,0.0,
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+O=C(NCc1cccs1)C1CCCN1C(=O)NC1CCCCC1,0,0.0,
+O=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccc(Cl)cc1,0,4.0,
+O=C(NCc1cccs1)C1CCCN1C(=O)Nc1cccc(Cl)c1,0,5.0,
+O=C(NCc1cccs1)C1CCCN1C(=O)Nc1cccc(F)c1,0,0.0,
+O=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccccc1,0,0.0,
+O=C(NCc1cccs1)C1CCCN1S(=O)(=O)c1ccccc1F,0,0.0,
+O=C(NCc1cccs1)C1CCN(C(=O)NCc2ccccc2)CC1,0,0.0,
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+O=C(NCc1cccs1)NC1CCCCC1,0,2.0,
+O=C(NCc1cccs1)N[C@@H](Cc1ccccc1)C(=O)O,0,0.0,
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+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)nc2ccccc12,0,6.0,
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+O=C(NCc1cccs1)c1ccc2c(c1)ncn2C1CCCC1,0,0.0,
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+O=C(NCc1cccs1)c1nc2c(nnn2Cc2ccccc2Cl)c(=O)[nH]1,0,13.0,
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+O=C(NCc1cccs1)c1nn2cccnc2c1Cl,0,0.0,
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+O=C(NCc1ccncc1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1,0,0.0,
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+O=C(NCc1ccncc1)C(=O)C1C(=O)Nc2ccccc21,0,0.0,
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+O=C(NCc1ccncc1)C(=O)NC1CC1,0,0.0,
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+O=C(NCc1ccncc1)C(=O)NCC(c1ccco1)N1CCN(c2ccccc2F)CC1,0,6.0,
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+O=C(NCc1ccncc1)C(=O)NCc1ccco1,0,0.0,
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+O=C(NCc1ccncc1)C(=O)Nc1ccc2c(c1)OCO2,0,0.0,
+O=C(NCc1ccncc1)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1,0,0.0,
+O=C(NCc1ccncc1)C(=O)Nc1nc2ccccc2s1,0,0.0,
+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)C1=NN(c2ccccc2)C(=O)CC1,0,0.0,
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+O=C(NCc1ccncc1)C1CCCN(S(=O)(=O)Cc2ccccc2)C1,0,1.0,
+O=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,0,3.0,
+O=C(NCc1ccncc1)C1COc2ccccc2O1,0,2.0,
+O=C(NCc1ccncc1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+O=C(NCc1ccncc1)NC1CCCCC1,0,0.0,
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+O=C(NCc1ccncc1)Nc1cccc(Cl)c1,0,1.0,
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+O=C(NCc1ccncc1)Nc1ccccc1,0,3.0,
+O=C(NCc1ccncc1)Nc1ccccc1Cl,0,2.0,
+O=C(NCc1ccncc1)Nc1ccccc1F,0,0.0,
+O=C(NCc1ccncc1)c1c(F)c(F)c(F)c(F)c1F,0,6.0,
+O=C(NCc1ccncc1)c1cc(C(=O)C2CC2)c[nH]1,0,6.0,
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+O=C(NCc1ccncc1)c1cc(F)c(F)cc1Cl,0,3.0,
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+O=C(NCc1ccncc1)c1ccc(Br)cc1,0,6.0,
+O=C(NCc1ccncc1)c1ccc(Br)o1,0,3.0,
+O=C(NCc1ccncc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1,0,0.0,
+O=C(NCc1ccncc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,0,0.0,
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+O=C(NCc1ccncc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1,0,3.0,
+O=C(NCc1ccncc1)c1ccc(Oc2ccccc2)cc1,0,5.0,
+O=C(NCc1ccncc1)c1cccc(Cn2cc(Br)cn2)c1,0,0.0,
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+O=C(O)Cc1ccc2ocnc2c1,0,0.0,
+O=C(O)Cc1ccc2sc(-c3ccccc3)nc2c1,0,2.0,
+O=C(O)Cc1ccccc1C(=O)O,0,0.0,
+O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0,0.0,
+O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1,0,1.0,
+O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccccc1,0,1.0,
+O=C(O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12,0,0.0,
+O=C(O)Cc1cn(Cc2cccc(Cl)c2)c2ccccc12,0,1.0,
+O=C(O)Cc1coc(-c2ccc(F)cc2)n1,0,0.0,
+O=C(O)Cc1coc2cc3c(cc12)CCC3,0,16.0,
+O=C(O)Cc1coc2ccc3ccccc3c12,0,12.0,
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+O=C(O)Cc1csc(-c2ccccc2)n1,0,11.0,
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+O=C(O)Cc1csc(Nc2cccc(Cl)c2)n1,0,2.0,
+O=C(O)Cc1csc2ccccc12,0,5.0,
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+O=C(O)Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3,0,4.0,
+O=C(O)Cc1nn(Cc2ccc(Cl)cc2)c(=O)c2ccccc12,0,0.0,
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+O=C(O)Cc1sc(-c2ccccc2)nc1-c1cccs1,0,1.0,
+O=C(O)Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1,0,16.0,
+O=C(O)Cc1sc(-c2cccnc2)nc1-c1ccc(Br)cc1,0,0.0,
+O=C(O)Cc1sc(N/N=C\c2ccccc2)nc1-c1ccccc1,0,0.0,
+O=C(O)Cc1sc(Nc2ccc(Cl)cc2)nc1-c1cccs1,0,5.0,
+O=C(O)Cc1sc(Nc2ccc(F)cc2)nc1-c1cccs1,0,0.0,
+O=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccc(Cl)cc1,0,0.0,
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+O=C(O)Cn1c(CC(=O)N2CCCC2)nc2ccccc21,0,0.0,
+O=C(O)Cn1c(CCS(=O)(=O)c2ccc(Br)cc2)nc2ccccc21,0,0.0,
+O=C(O)Cn1c(O)c(C=Nc2ccccc2)sc1=S,0,3.5,
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+O=C(O)Cn1c(SCCOc2ccccc2F)nc2ccccc21,0,0.0,
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+O=C(O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1,0,5.0,
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+O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1,0,0.0,
+O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1nc2ccccc2s1,0,3.0,
+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(CC1CCCO1)C2,0,2.0,
+O=C(O)c1cccc2c1C(=O)N(Cc1ccncc1)C2,0,0.0,
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+O=C(O)c1cccc2c1NC(C(=O)O)C1CC(Sc3ccccc3[N+](=O)[O-])C(Cl)C21,0,7.0,
+O=C(O)c1cccc2c1NC(c1cccc([N+](=O)[O-])c1)C1CC(Sc3ccccc3[N+](=O)[O-])C(Cl)C21,0,5.0,
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+O=C(O)c1cccc2nc3ccccc3nc12,0,2.0,
+O=C(O)c1ccccc1-c1cc(=O)c2cc(Cl)ccc2o1,0,0.0,
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+O=C(O)c1ccccc1-c1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1,0,4.0,
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+O=C(O)c1ccccc1-c1ccccc1C(=O)NCc1ccco1,0,2.0,
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+O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1nccs1,0,2.0,
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+O=C1c2ccccc2C(=O)N1OCc1c(F)cccc1Cl,0,0.0,
+O=C1c2ccccc2C(=O)N1OCc1ccc(Cl)cc1,0,4.0,
+O=C1c2ccccc2C(=O)N1OCc1cccc(Cl)c1,0,0.0,
+O=C1c2ccccc2C(=O)N1OCc1ccccc1,0,0.0,
+O=C1c2ccccc2C(=O)N1OCc1ccccc1[N+](=O)[O-],0,0.0,
+O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccccc1,0,0.0,
+O=C1c2ccccc2C(=O)N1SC1CCCCC1,0,0.0,
+O=C1c2ccccc2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1,0,1.0,
+O=C1c2ccccc2C(=O)N1c1ccc(Br)c2cccnc12,0,0.0,
+O=C1c2ccccc2C(=O)N1c1ccc(Cl)cc1,0,0.0,
+O=C1c2ccccc2C(=O)N1c1ccc(Cl)cn1,0,3.0,
+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]c2c1,0,9.0,
+O=C1c2ccccc2C(=O)N1c1cccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)c1,0,2.0,
+O=C1c2ccccc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1,0,5.0,
+O=C1c2ccccc2C(=O)N1c1cccc2cccnc12,0,1.0,
+O=C1c2ccccc2C(=O)N1c1ccccc1[S+]([O-])C(F)(F)F,1,21.0,
+O=C1c2ccccc2C(=O)N1c1cccnc1,0,1.0,
+O=C1c2ccccc2C(=O)N1c1n[nH]c(-c2ccco2)n1,0,1.0,
+O=C1c2ccccc2C(=O)N1c1n[nH]c(CCc2ccccc2)n1,0,3.0,
+O=C1c2ccccc2C(=O)N1c1nc(-c2cccs2)cs1,0,0.0,
+O=C1c2ccccc2C(=O)N1c1nc2nccc(-c3ccccc3)n2n1,0,9.0,
+O=C1c2ccccc2C(=O)N1c1ncc(Cc2ccc(Cl)cc2)s1,0,3.0,
+O=C1c2ccccc2C(=O)N1c1ncccn1,0,1.0,
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+O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCCC1)c2NCCO,0,1.0,
+O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(-c3ccccc3)[nH]c21,0,0.0,
+O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(C3CCCCC3)[nH]c21,0,5.0,
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+O=C1c2ccccc2C(=O)c2c1cccc2N1CCN(CCO)CC1,0,0.0,
+O=C1c2ccccc2C(=O)c2c1cccc2N1CCN(Cc2ccccc2)CC1,0,0.0,
+O=C1c2ccccc2C(=O)c2c1cccc2N1CCOCC1,0,0.0,
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+O=C1c2ccccc2C(Nc2ccc(-c3nc4ccccc4[nH]3)cc2)N1Cc1ccco1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(Cl)cc2)N1CCN1CCOCC1,0,3.0,
+O=C1c2ccccc2C(Nc2ccc(Cl)cn2)N1Cc1ccccc1,0,4.0,
+O=C1c2ccccc2C(Nc2ccc(Cl)cn2)N1c1ccccn1,0,7.0,
+O=C1c2ccccc2C(Nc2ccc(Cl)cn2)N1c1cccnc1,0,4.0,
+O=C1c2ccccc2C(Nc2ccc(F)c(Cl)c2)N1Cc1ccco1,0,2.0,
+O=C1c2ccccc2C(Nc2ccc(F)c(Cl)c2)N1c1ccccn1,0,8.0,
+O=C1c2ccccc2C(Nc2ccc(F)cc2F)N1CCN1CCOCC1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1Cc1ccco1,0,2.0,
+O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1c1ccccn1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1Cc1ccco1,0,2.0,
+O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1c1ccccn1,0,0.0,
+O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)N1Cc1ccco1,0,0.0,
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+O=C1c2ccccc2C(Nc2cccnc2)N1Cc1ccccc1Cl,0,3.0,
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+O=C1c2ccccc2C(O)(Cc2ccccc2)N1CCCN1CCOCC1,0,0.0,
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+O=C1c2ccccc2CC1Sc1nnc(-c2ccccn2)o1,0,10.0,
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+O=C1c2ccccc2CCC12N=NCC2c1ccc(Cl)cc1,0,11.0,
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+O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1c1ccccc1,0,14.0,
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+O=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1Cc1ccccc1,0,14.0,
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+O=C1c2ccccc2S(=O)(=O)N1CC(O)Cn1c2ccccc2c2ccccc21,0,6.0,
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+O=C1c2ccccc2S(=O)(=O)N1Cc1nnc(-c2ccccc2Br)o1,0,0.0,
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+O=C1c2cccnc2C(=O)N1CO,0,0.0,
+O=C1c2cccnc2C(=O)N1Cc1ccc(Cl)cc1,0,3.0,
+O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1,0,1.0,
+O=C1c2cccnc2C(=O)N1Cc1ccc2c(c1)OCO2,0,1.0,
+O=C1c2cccnc2C(=O)N1Cc1ccccc1,0,0.0,
+O=C1c2cccnc2C(=O)N1Cc1ccco1,0,1.0,
+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(Br)cc2)N1Cc1cccs1,0,0.0,
+O=C1c2cccnc2C(Nc2ccc(Br)cc2Br)N1Cc1cccs1,0,3.0,
+O=C1c2cccnc2C(Nc2ccc(Cl)cc2)N1Cc1cccs1,0,1.0,
+O=C1c2cccnc2C(Nc2ccc(F)c(Cl)c2)N1Cc1cccs1,0,0.0,
+O=C1c2cccnc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1Cc1ccccc1,0,3.0,
+O=C1c2cccnc2C(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1Cc1ccccc1,1,30.0,0.0
+O=C1c2cccnc2C(Nc2cccc(F)c2)N1Cc1ccco1,0,0.0,
+O=C1c2cccnc2C(Nc2ccccc2)N1Cc1ccco1,0,7.0,
+O=C1c2cccnc2C(Nc2ccccc2Br)N1Cc1ccco1,0,4.0,
+O=C1c2cccnc2C(O)N1C1CCCCC1,0,2.0,
+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=C1c2cccnc2Nc2ccccc2N1CCCF,0,0.0,
+O=C1c2cccnc2Oc2ccc(Cl)cc2N1Cc1ccc(F)cc1,0,0.0,
+O=C1c2ccncc2C(=O)N1C1CCCCC1,0,0.0,
+O=C1c2ccncc2C(=O)N1CNc1ccc(Cl)cc1,0,1.0,
+O=C1c2ccncc2C(=O)N1CO,0,0.0,
+O=C1c2ccncc2C(=O)N1Cc1cccc(Cl)c1,0,1.0,
+O=C1c2ccncc2C(=O)N1c1cccc(Cl)c1,0,0.0,
+O=C1c2ccsc2SCCN1Cc1c(Cl)cccc1Cl,0,6.0,
+O=C1c2ccsc2SCCN1Cc1ccc(Cl)cc1,0,6.0,
+O=C1c2ccsc2SCCN1Cc1ccc(Cl)cc1Cl,0,7.0,
+O=C1c2ccsc2SCCN1Cc1cccc(Cl)c1,0,3.0,
+O=C1c2ccsc2SCCN1Cc1ccccc1,0,2.0,
+O=C1c2ccsc2SCCN1Cc1ccccc1Cl,0,0.0,
+O=C1c2cnc3nc(SCc4ccc(Cl)cc4)nn3c2CC2c3ccccc3CCN12,0,18.0,
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+O=[N+]([O-])c1ccccc1Nc1c2ccccc2nc2ccccc12,0,0.0,
+O=[N+]([O-])c1ccccc1Nc1ccc(O)cc1,0,0.0,
+O=[N+]([O-])c1ccccc1Nc1ccccc1,0,0.0,
+O=[N+]([O-])c1ccccc1OCCCCN1CCCCC1,0,1.0,
+O=[N+]([O-])c1ccccc1OCCCN1CCOCC1,0,3.0,
+O=[N+]([O-])c1ccccc1OCCCNCc1ccccc1,0,7.0,
+O=[N+]([O-])c1ccccc1OCCCn1cnc2ccccc21,0,0.0,
+O=[N+]([O-])c1ccccc1OCCOCCOc1cccc2cccnc12,0,0.0,
+O=[N+]([O-])c1ccccc1OCc1nc(-c2cccs2)no1,0,0.0,
+O=[N+]([O-])c1ccccc1Oc1ccc(C(F)(F)F)cn1,0,2.0,
+O=[N+]([O-])c1ccccc1Oc1ccc(Cl)c2cccnc12,0,0.0,
+O=[N+]([O-])c1ccccc1Oc1ccccc1Cl,0,6.0,
+O=[N+]([O-])c1ccccc1Oc1cnc2ccccc2n1,0,0.0,
+O=[N+]([O-])c1ccccc1Oc1ncccc1[N+](=O)[O-],0,0.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCCC1,0,0.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CC2CC3C=CC2C3)CC1,0,0.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CC2CC=CCC2)CC1,0,0.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cc3c(cc2O)OCO3)CC1,0,1.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,3.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccsc2)CC1,0,1.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2ccccc2C1,0,0.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCC1,0,0.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC1=CCCCC1,0,4.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccncc1,0,4.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(F)cc1,0,0.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccnc1,0,1.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccco1,0,1.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(/C=N/n2cnnc2)cc1,0,3.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(C(=S)N2CCOCC2)cc1,0,0.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1/C=N/n1cnnc1,0,7.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)n1cnc2ccccc21,0,3.0,
+O=[N+]([O-])c1ccccc1S(=O)(=O)n1nnc2ccccc21,0,0.0,
+O=[N+]([O-])c1ccccc1SN(Cc1ccccc1)c1ccccn1,0,1.0,
+O=[N+]([O-])c1ccccc1SNc1ccc(Br)cn1,0,4.0,
+O=[N+]([O-])c1ccccc1SNc1ccccn1,0,0.0,
+O=[N+]([O-])c1ccccc1Sc1nccn1Cc1ccccc1,0,0.0,
+O=[N+]([O-])c1cccn2cc(-c3ccc(Br)cc3)nc12,0,0.0,
+O=[N+]([O-])c1cccnc1-n1cnc2ccccc21,0,0.0,
+O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1O,0,2.0,
+O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,0,0.0,
+O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1,0,0.0,
+O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)CC1,0,2.0,
+O=[N+]([O-])c1cccnc1N1CCCCC1,0,2.0,
+O=[N+]([O-])c1cccnc1N1CCN(c2ccc(F)cc2)CC1,0,0.0,
+O=[N+]([O-])c1cccnc1N1CCN(c2ccccc2F)CC1,0,2.0,
+O=[N+]([O-])c1cccnc1N1CCOCC1,0,0.0,
+O=[N+]([O-])c1cccnc1NCCNc1ncc(C(F)(F)F)cc1Cl,0,5.0,
+O=[N+]([O-])c1cccnc1NCCc1ccccc1,0,0.0,
+O=[N+]([O-])c1cccnc1NCc1cccs1,0,0.0,
+O=[N+]([O-])c1ccn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)n1,0,0.0,
+O=[N+]([O-])c1ccn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)n1,0,0.0,
+O=[N+]([O-])c1cn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)cn1,0,1.0,
+O=[N+]([O-])c1cn(Cc2ccc(Cl)cc2)cn1,0,0.0,
+O=[N+]([O-])c1cn(Cc2ccccc2)cn1,0,0.0,
+O=[N+]([O-])c1cnc(N2CCCCC2)c([N+](=O)[O-])c1,0,0.0,
+O=[N+]([O-])c1cnc2ccccc2c1,0,0.0,
+O=[N+]([O-])c1cnc2nc(-c3ccncc3)nn2c1O,0,3.0,
+O=[N+]([O-])c1cncc([N+](=O)[O-])c1Nc1ccccc1Cl,0,0.0,
+O=[N+]([O-])c1cnccc1Nc1ccc(F)cc1,0,4.0,
+O=[N+]([O-])c1cnccc1Nc1cccc(F)c1,0,0.0,
+O=[N+]([O-])c1cnccc1Nc1ccccc1,0,0.0,
+O=[N+]([O-])c1cnn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1,0,4.0,
+O=[N+]([O-])c1cnn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)c1,0,0.0,
+O=[N+]([O-])c1cnn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)c1,0,2.0,
+O=[N+]([O-])c1cnn2cc(Br)cnc12,0,2.0,
+O=[N+]([O-])c1ncccc1Oc1nc(-c2cccnc2)nc2ccccc12,0,0.0,
+O=[N+]([O-])c1ncn(CCn2ncnc2[N+](=O)[O-])n1,0,0.0,
+O=[N+]([O-])c1ncn(Cc2c(Cl)cccc2Cl)n1,0,0.0,
+O=[N+]([O-])c1ncn(Cc2ccccc2Cl)n1,0,0.0,
+O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)n(O)c1=NCc1ccccc1,0,3.0,
+O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)n(O)c1=NCc1ccccc1Cl,0,5.0,
+O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)n(O)c1=NCc1cccnc1,0,0.0,
+O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)n(O)c1=NCc1ccncc1,0,0.0,
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NC1CCCC1,0,14.0,
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NC1CCCCC1,0,0.0,
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NC1CCCCCC1,0,7.0,
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCCC1=CCCCC1,0,11.0,
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCCCO,0,0.0,
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCc1ccc(F)cc1,0,0.0,
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCc1ccc(F)cc1Cl,0,0.0,
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCc1ccccc1Cl,0,6.0,
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=Nc1ccc(Cl)cc1,0,0.0,
+O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=Nc1ccccc1,0,2.0,
+O=[N+]([O-])c1nn(-c2cccc(Cl)c2)n(O)c1=NCc1cccnc1,0,5.0,
+O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1N1CCN(c2ccccc2)CC1,0,0.0,
+O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1N1CCN(c2ccccc2F)CC1,0,1.0,
+O=[N+]([O-])c1nn(-c2ccccc2)n(O)c1=NC1CCN(Cc2ccccc2)CC1,0,0.0,
+O=[N+]([O-])c1nn(-c2ccccc2)n(O)c1=NCCc1ccccc1,0,2.0,
+O=[N+]([O-])c1nn(-c2ccccc2)n(O)c1=NCc1ccc2c(c1)OCO2,0,4.0,
+O=[N+]1C2=C(CCCC2)N([O-])C12CCCC2,0,2.0,
+O=[N+]1C=C(c2cc3ccccc3o2)N([O-])C2CCCCC21,0,4.0,
+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+]1C=C(c2ccccc2)N([O-])C2CCCCC21,0,2.0,
+O=[P+](Cc1ccccc1)Cc1ccccc1,0,4.0,
+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)CCCCC2,0,2.0,
+O=[n+]1c2c(n([O-])c3cc(Br)ccc31)CCC2,0,6.0,
+O=[n+]1c2c(n([O-])c3cc(Br)ccc31)CCCC2,0,0.0,
+O=[n+]1c2c(n([O-])c3cc(Cl)ccc31)CCCC2,0,1.0,
+O=[n+]1c2c(n([O-])c3cc(F)c(F)cc31)CCCC2,0,2.0,
+O=[n+]1c2c(n([O-])c3cc(F)c(N4CCCC4)cc31)CCC2,0,6.0,
+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+]1c2c(n([O-])c3ccccc31)CCC2,0,0.0,
+O=[n+]1c2c(n([O-])c3ccccc31)CCCC2,0,0.0,
+O=[n+]1cc(-c2ccc(Br)cc2)n([O-])c2c1CCC2,0,0.0,
+O=[n+]1cc(-c2ccc(Cl)cc2)n([O-])c2c1CCCCC2,0,2.0,
+O=[n+]1cc(-c2ccc(F)cc2)n([O-])c2c1CCC2,0,0.0,
+O=[n+]1cc(-c2cccc3ccccc23)n([O-])c2c1CCC2,0,0.0,
+O=[n+]1cc(-c2ccccc2)n([O-])c2c1CCC2,0,0.0,
+O=[n+]1cc(-c2ccccc2)n([O-])c2c1CCCCC2,0,1.0,
+O=c1/c(=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)sc2n1CCN=2,0,1.0,
+O=c1/c(=C/c2ccc(O)c([N+](=O)[O-])c2)sc2nc3ccccc3n12,0,0.0,
+O=c1/c(=C/c2ccc(O)cc2)sc2n1CCCN=2,0,0.0,
+O=c1/c(=C/c2ccc(O)cc2)sc2nc3cc(Br)cnc3n12,0,0.0,
+O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CCCN=2,0,0.0,
+O=c1/c(=C/c2cccc3ccccc23)sc2ncnn12,0,9.0,
+O=c1/c(=C/c2ccccn2)sc2n1CN(c1ccccc1)CN=2,0,5.0,
+O=c1/c(=C/c2ccccn2)sc2nc3ccccc3n12,0,0.0,
+O=c1/c(=C/c2ccco2)sc2n1CN(c1cccc(Br)c1)CN=2,0,0.0,
+O=c1/c(=C/c2ccco2)sc2n1CN(c1ccccc1)CN=2,0,2.0,
+O=c1/c(=C/c2ccco2)sc2nc(-c3ccccc3Br)nn12,0,1.0,
+O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2nc3ccccc3n12,0,0.0,
+O=c1/c(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)sc2nc3ccccc3n12,0,0.0,
+O=c1/c(=C\c2ccc(F)cc2)sc2n1CCCN=2,0,3.0,
+O=c1/c(=C\c2ccc(O)cc2)sc2n1C(c1ccccc1)C(c1ccccc1)=NN=2,0,0.0,
+O=c1/c(=C\c2ccc3c(c2)OCO3)sc2n1CCCN=2,0,3.0,
+O=c1/c(=C\c2cccn2-c2ccccc2)sc2nc3ccccc3n12,0,0.0,
+O=c1/c(=C\c2cccnc2)sc2nc3ccccc3n12,0,0.0,
+O=c1/c(=C\c2ccco2)sc2n1CCCN=2,0,0.0,
+O=c1[nH][nH]c(-c2ccccc2)c1C=Nc1ccc(C(F)(F)F)cc1,0,0.0,
+O=c1[nH][nH]c(-c2ccccc2)c1C=Nc1ccc(Cl)cc1,0,0.0,
+O=c1[nH][nH]c(-c2ccccc2)c1C=Nc1ccc(F)cc1F,0,0.0,
+O=c1[nH][nH]c(-c2ccccc2)c1C=Nc1ccc(OC(F)(F)F)cc1,0,4.0,
+O=c1[nH][nH]c(-c2ccccc2)c1C=Nc1cccc(Cl)c1,0,0.0,
+O=c1[nH][nH]c(-c2ccccc2)c1C=Nc1ccccc1,0,1.0,
+O=c1[nH][nH]c(-c2ccccc2)c1C=Nc1ccccc1Cl,0,0.0,
+O=c1[nH][nH]c(-c2ccccc2O)c1C(C[N+](=O)[O-])c1ccc(Br)cc1,0,0.0,
+O=c1[nH][nH]c(-c2ccccc2O)c1C(C[N+](=O)[O-])c1ccc(Cl)cc1Cl,0,0.0,
+O=c1[nH][nH]c(-c2ccccc2O)c1C(C[N+](=O)[O-])c1cccc(Cl)c1,0,0.0,
+O=c1[nH][nH]c(-c2ccccc2O)c1C(C[N+](=O)[O-])c1ccccc1,0,2.0,
+O=c1[nH][nH]c(=O)c2c(NS(=O)(=O)c3ccccc3)cccc12,0,0.0,
+O=c1[nH][nH]c(=O)c2cc(N3CCCC3)ccc12,0,3.0,
+O=c1[nH][nH]c(=O)n1-c1ccccc1,0,2.0,
+O=c1[nH][nH]c(C(F)(F)F)c1/C=N/N1CCOCC1,0,1.0,
+O=c1[nH][nH]c(C(F)(F)F)c1C=NCc1ccc(Cl)cc1,0,1.0,
+O=c1[nH][nH]c(C(F)(F)F)c1C=NCc1cccc(C(F)(F)F)c1,0,3.0,
+O=c1[nH][nH]c(C(F)(F)F)c1C=NCc1cccc(Cl)c1,0,10.0,
+O=c1[nH][nH]c(C(F)(F)F)c1C=NCc1ccccc1Cl,0,0.0,
+O=c1[nH][nH]c(C(F)(F)F)c1C=NCc1cccs1,0,1.0,
+O=c1[nH][nH]c(C(F)(F)F)c1C=Nc1ccc(Cl)cc1,0,0.0,
+O=c1[nH][nH]c(C(F)(F)F)c1C=Nc1cccc(Cl)c1,0,4.0,
+O=c1[nH][nH]c(C(F)(F)F)c1C=Nc1ccccc1,0,0.0,
+O=c1[nH][nH]c(C(F)(F)F)c1C=Nc1ccccc1Cl,0,8.0,
+O=c1[nH][nH]c2cc(=O)n(-c3ccc(Cl)cc3)nc12,0,0.0,
+O=c1[nH][nH]c2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc12,0,3.0,
+O=c1[nH][nH]c2nc(C(F)(F)F)cc(C(F)(F)F)c12,0,8.0,
+O=c1[nH][nH]cc1C=NCc1cccc(C(F)(F)F)c1,0,1.0,
+O=c1[nH][nH]cc1C=NCc1cccnc1,0,0.0,
+O=c1[nH][nH]cc1C=Nc1cc(Cl)ccc1O,0,0.0,
+O=c1[nH][nH]cc1C=Nc1ccc(Cl)cc1,0,0.0,
+O=c1[nH][nH]cc1C=Nc1ccc(Cl)cc1Cl,0,0.0,
+O=c1[nH][nH]cc1C=Nc1ccc(Oc2ccccc2)cc1,0,2.0,
+O=c1[nH][nH]cc1C=Nc1ccccc1Cl,0,6.0,
+O=c1[nH][nH]cc1C=Nc1ccccc1O,0,2.0,
+O=c1[nH]c(-c2ccc(Cl)cc2)cs1,0,0.0,
+O=c1[nH]c(-c2ccc(Cl)cc2)nc2c1cnn2-c1ccccc1,0,6.0,
+O=c1[nH]c(-c2ccc(F)cc2)nc2c1sc(=S)n2-c1ccccc1,0,0.0,
+O=c1[nH]c(-c2ccc3c(c2)OCO3)nc2c1sc(=S)n2-c1ccccc1,0,0.0,
+O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH]1,0,0.0,
+O=c1[nH]c(-c2ccccc2)cs1,0,3.0,
+O=c1[nH]c(-c2ccccc2)nc2sc(-c3ccccc3)cc12,0,0.0,
+O=c1[nH]c(-c2ccccc2Cl)nc2c1sc(=S)n2-c1ccccc1,0,4.0,
+O=c1[nH]c(-c2ccccc2F)nc2c1sc(=S)n2Cc1ccccc1,0,10.0,
+O=c1[nH]c(-c2ccccc2O)nc2c1CCCC2,0,1.0,
+O=c1[nH]c(-c2ccccn2)cc2ccccc12,0,1.0,
+O=c1[nH]c(-c2ccccn2)nc(C(F)(F)F)c1Br,0,0.0,
+O=c1[nH]c(-c2ccccn2)nc2ccccc12,0,0.0,
+O=c1[nH]c(-c2ccccn2)nc2sc(-c3ccccc3)cc12,0,0.0,
+O=c1[nH]c(-c2cccnc2)nc2ccccc12,0,0.0,
+O=c1[nH]c(-c2cccnc2)nc2sc(-c3ccccc3)cc12,0,1.0,
+O=c1[nH]c(-c2ccco2)nc2sc3c(c12)CCCC3,0,0.0,
+O=c1[nH]c(-c2cccs2)nc2ccccc12,0,0.0,
+O=c1[nH]c(-c2ccncc2)nc2ccccc12,0,6.0,
+O=c1[nH]c(/C(=N\O)c2ccccc2)no1,0,0.0,
+O=c1[nH]c(/C(Cl)=C/c2c(F)cccc2Cl)nc2cc(Cl)ccc12,0,1.0,
+O=c1[nH]c(/C(Cl)=C/c2cc(Cl)ccc2O)nc2cc(Cl)ccc12,0,0.0,
+O=c1[nH]c(/C(Cl)=C/c2cccc(C(F)(F)F)c2)nc2cc(Cl)ccc12,0,2.0,
+O=c1[nH]c(/C(Cl)=C/c2cccc(F)c2)nc2cc(C(F)(F)F)ccc12,0,0.0,
+O=c1[nH]c(/C=C/c2ccc(Br)cc2)nc2c1cnn2-c1ccccc1,0,0.0,
+O=c1[nH]c(/C=C/c2ccc(OC(F)F)cc2)nc2c1cnn2-c1ccccc1,0,1.0,
+O=c1[nH]c(/C=C/c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(=O)[nH]1,0,4.0,
+O=c1[nH]c(/C=C/c2cccc3ccccc23)nc2ccccc12,0,0.0,
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+OCCC1CN(Cc2nc3ccccc3s2)CCN1C1CCCCC1,0,13.0,
+OCCC1CN(Cc2nc3ccccc3s2)CCN1CCc1ccccc1,0,3.0,
+OCCCC1CCCCN1Cc1nc(Cc2ccccc2Cl)no1,0,2.0,
+OCCCC1CCCN(Cc2cn[nH]c2-c2ccc(F)cc2F)C1,0,0.0,
+OCCCCCN=c1cc(-c2ccccc2)oc2ccc(Cl)cc12,0,5.0,
+OCCCCCNc1ncnc2ccccc12,0,0.0,
+OCCCCNCc1cc(Br)ccc1OCc1ccccc1,0,7.0,
+OCCCCNCc1cc(Br)ccc1OCc1ccccc1F,0,11.0,
+OCCCCNCc1ccc(OCc2ccc(Cl)cc2)cc1,0,12.0,
+OCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1,0,12.0,
+OCCCCNCc1ccc(OCc2ccccc2)cc1,0,12.0,
+OCCCCNCc1ccc(OCc2ccccc2Cl)cc1,0,11.0,
+OCCCCNc1cccc2ccccc12,0,2.0,
+OCCCN1CCN(CCCOc2ccccc2-c2ccccc2)CC1,0,8.0,
+OCCCN1CCN(CCOc2ccccc2-c2ccccc2)CC1,0,0.0,
+OCCCN1c2ccccc2Nc2nnc(-c3ccccc3)cc21,0,0.0,
+OCCCN=c1cc(-c2ccccc2)oc2ccc(Cl)cc12,0,0.0,
+OCCCNC(=S)NC1CCCC1,0,1.0,
+OCCCNC(=S)Nc1ccc(Nc2ccccc2)cc1,0,0.0,
+OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+OCCCNC(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1,0,0.0,
+OCCCNC(=S)Nc1ccc2nccnc2c1,0,2.0,
+OCCCNC(c1ccccc1)c1ccc(O)cc1,0,0.0,
+OCCCNCc1ccc(-c2ccccc2)cc1,0,3.0,
+OCCCNCc1ccc(Cl)cc1Cl,0,0.0,
+OCCCNCc1cccc2ccccc12,0,5.0,
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+OCCCc1nc2ccccc2n1CCOc1ccccc1,0,0.0,
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+OCCCc1nc2n(n1)C(c1ccccc1Cl)C=C(c1cccs1)N2,0,8.0,
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+OCCCc1nc2n(n1)C(c1cccs1)C=C(c1ccccc1)N2,0,2.0,
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+OCCCn1c(-c2ccccc2)n[nH]c1=S,0,1.0,
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+OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,0,0.0,
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+OCCNC(=S)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
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+OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,0,14.0,
+OCc1c(Cl)nc2ccccn12,0,0.0,
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+OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O,0,0.0,
+OCc1cc(CO)c(O)c(CCc2ccccc2)n1,0,0.0,
+OCc1ccc(O)c2ncccc12,0,0.0,
+OCc1ccccc1CNCc1ccccc1,0,3.0,
+OCc1ccccc1N=c1ssnc1Cl,0,0.0,
+OCc1ccccc1NC(=S)Nc1cccnc1,0,0.0,
+OCc1ccccc1OCCOc1ccc(Cl)c2cccnc12,0,0.0,
+OCc1ccnc(Cl)c1,0,1.0,
+OCc1ccnc2c(O)cccc12,0,7.0,
+OCc1cn(-c2ccc(Cl)cc2)nn1,0,0.0,
+OCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1,0,0.0,
+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,
+OCc1cn(-c2ccccc2)nc1-c1ccco1,0,0.0,
+OCc1cn(-c2ccccc2)nn1,0,0.0,
+OCc1cnc(SCc2ccccc2)n1Cc1ccccc1,0,0.0,
+OCc1cnc[nH]1,0,0.0,
+OCc1csc(=Nc2ccccc2)n1-c1ccccc1,0,0.0,
+OCc1n[nH]c(CO)n1,0,0.0,
+OCc1nc(CO)n(Cc2ccccc2)n1,0,6.0,
+OCc1nc2ccccc2n1C/C=C/c1ccccc1,0,0.0,
+OCc1nc2ccccc2n1CC(O)COc1ccccc1,0,0.0,
+OCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21,0,0.0,
+OCc1nc2ccccc2n1CCCOc1ccc(Br)cc1,0,6.0,
+OCc1nc2ccccc2n1CCCOc1ccccc1,0,0.0,
+OCc1nn2c(c1Br)NC(c1ccccc1)CC2C(F)(F)F,0,0.0,
+OCc1nnc2c3ccccc3c(-c3ccccc3)nn12,0,0.0,
+OCc1nnn(-c2cccc(C(F)(F)F)c2)c1CO,0,0.0,
+OCn1ncn(-c2ccccc2)c1=S,0,1.0,
+ON/C=N/C(=S)Nc1ncc(C(F)(F)F)cc1Cl,0,0.0,
+ON1C(c2ccc(Cl)cc2Cl)N(O)[C@H]2CCCC[C@H]21,0,0.0,
+ON1C(c2ccccc2)CC2(O)c3nonc3CCC12,0,5.0,
+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,0,9.0,
+ON1C2CCCCC2N(O)C1c1ccccc1,0,0.0,
+ON1C2CCCCC2N(O)C1c1ccccc1C(F)(F)F,0,0.0,
+ON1C2CCCCC2N(O)C1c1ccccc1F,0,0.0,
+ON=C1/C(=N\O)CC2(C/C1=N/O)OCCO2,0,5.0,
+ON=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,0,0.0,
+ON=Cc1cccn1-c1ccccc1,0,0.0,
+ONC(=Nc1ccc(Cl)cc1)c1ccc(Cl)cc1,0,0.0,
+ONC(=Nc1ccc(Cl)cc1)c1ccccc1,0,0.0,
+ONC(=Nc1ccc(Cl)cc1)c1ccccc1Cl,0,0.0,
+ONC(=Nc1ccccc1)C(=Nc1ccccc1)NO,0,10.0,
+ONC(=Nc1ccccc1)c1ccc(Cl)cc1,0,3.0,
+ONC(=Nc1ccccc1)c1ccccc1Cl,0,0.0,
+ONC=Nc1cccc2nonc12,0,0.0,
+ONc1cccnc1-n1nc(C(F)(F)F)cc1C(F)(F)F,0,0.0,
+O[C@@H](CNC[C@H](O)c1ccccc1)c1ccccc1,0,0.0,
+O[C@@H]1C2CCCC1[C@]1(O)CCCCC1C2,0,0.0,
+O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1,0,1.5,
+O[C@H]1C2CCC1C(N1CCCCC1)CC2,0,0.0,
+O[C@H]1[C@H](O)[C@@H](O)CN2CC[C@H](O)[C@H]12,0,0.0,
+O[C@H]1COC2C1OC[C@@H]2O,0,0.0,
+Oc1[nH]c(=S)sc1/C=C1\C(c2ccccc2)=Nc2ccccc21,0,1.0,
+Oc1[nH]c2c(Cl)cc(Cl)cc2c1N=NC(=S)NCC1CCCO1,0,0.0,
+Oc1[nH]c2ccc(Br)cc2c1N=Nc1ccc(C(F)(F)F)cn1,0,11.0,
+Oc1[nH]c2ccc(F)cc2c1N=Nc1ccccc1,0,5.0,
+Oc1[nH]c2ccccc2c1/C=N/N1CCCCC1,0,0.0,
+Oc1[nH]c2ccccc2c1/C=N/c1nccs1,0,0.0,
+Oc1[nH]c2ccccc2c1C1=NCCCC1,0,0.0,
+Oc1[nH]c2ccccc2c1C1=NCCCCC1,0,0.0,
+Oc1[nH]c2ccccc2c1C=NCC1CCCO1,0,0.0,
+Oc1[nH]c2ccccc2c1C=NCc1ccc(Cl)cc1,0,0.0,
+Oc1[nH]c2ccccc2c1C=Nc1ccc2c(c1)OCCO2,0,0.0,
+Oc1[nH]c2ccccc2c1C=Nc1ccc2c(c1)OCO2,0,8.0,
+Oc1[nH]c2ccccc2c1N=NC(=S)NCC1CCCO1,0,0.0,
+Oc1[nH]c2ccccc2c1N=NC(=S)NCCc1ccccc1,0,2.0,
+Oc1[nH]c2ccccc2c1N=Nc1ccc(C(F)(F)F)cn1,0,0.0,
+Oc1[nH]c2ccccc2c1N=Nc1ccc(F)cc1,0,7.0,
+Oc1[nH]c2ccccc2c1N=Nc1ccccc1F,0,1.0,
+Oc1[nH]c2ccccc2c1N=Nc1nc2ccccc2s1,0,6.0,
+Oc1[nH]c2ccccc2c1OCc1ccncc1,0,11.0,
+Oc1c(-c2cc(-c3ccco3)[nH]n2)ccc2ccccc12,0,5.0,
+Oc1c(/C=N/Nc2cccc3cccnc23)ccc2ccccc12,0,0.0,
+Oc1c(/C=N/c2ncn[nH]2)ccc2ccccc12,0,6.0,
+Oc1c(Br)cc(Br)cc1/C=N/N1CCN(Cc2ccccc2)CC1,0,0.0,
+Oc1c(Br)cc(Br)cc1/C=N/c1nc2c(s1)CCCC2,0,0.0,
+Oc1c(Br)cc(Br)cc1C=NCc1ccc(F)cc1,0,4.0,
+Oc1c(Br)cc(Br)cc1C=NCc1ccccc1,0,0.0,
+Oc1c(Br)cc(Br)cc1C=Nc1ccc2c(c1)OCCO2,0,4.0,
+Oc1c(Br)cc(Br)cc1C=Nc1ccc2c(c1)OCO2,0,1.0,
+Oc1c(Br)cc(Br)cc1C=Nc1cn[nH]n1,0,0.0,
+Oc1c(Br)cc(Br)cc1CN1CCN(Cc2ccccc2)CC1,0,3.0,
+Oc1c(Br)cc(Br)cc1CNc1ccc(F)cc1,0,0.0,
+Oc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br,0,0.0,
+Oc1c(Br)cc(C2N=C(c3ccccc3)NO2)cc1Br,0,7.0,
+Oc1c(Br)cc(C2N=C(c3ccccc3Cl)NO2)cc1Br,0,11.0,
+Oc1c(Br)cc(C=Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c(O)c1Br,0,3.0,
+Oc1c(Br)cc(Cl)cc1C=Nc1ccc(N2CCOCC2)cc1,0,5.0,
+Oc1c(Br)cc(Cl)cc1C=Nc1ccccc1Br,0,0.0,
+Oc1c(Br)cc2oc3c(c2c1CNCc1ccccc1)CCCC3,0,5.0,
+Oc1c(Br)cccc1/C=N/Nc1c(F)c(F)c(F)c(F)c1F,0,0.0,
+Oc1c(C(Nc2cccc(C(F)(F)F)c2)c2cccnc2)ccc2cccnc12,0,5.0,
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+Oc1c(C(Nc2ccccn2)c2cccnc2)cc(Cl)c2cccnc12,0,0.0,
+Oc1c(C(Nc2nc3ccccc3s2)c2ccco2)ccc2cccnc12,0,2.0,
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+Oc1c(C(c2ccc(Cl)cc2)N2CCCC2)cc(Cl)c2cccnc12,0,10.0,
+Oc1c(C(c2ccc(F)cc2)N2CCc3ccccc3C2)sc2ncnn12,0,2.0,
+Oc1c(C(c2cccc(F)c2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12,0,3.0,
+Oc1c(C(c2ccccc2)N2CCCCC2)sc2ncnn12,0,2.0,
+Oc1c(C(c2ccccc2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12,0,0.0,
+Oc1c(C(c2ccccc2)N2CCc3ccccc3C2)sc2ncnn12,0,0.0,
+Oc1c(C(c2ccccc2Cl)N2CCCC2)ccc2cccnc12,0,0.0,
+Oc1c(C(c2ccccn2)N2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12,0,1.0,
+Oc1c(C(c2ccccn2)N2CCCCC2)cc(Cl)c2cccnc12,0,0.0,
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+Oc1c(C(c2ccco2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12,0,0.0,
+Oc1c(C(c2ccco2)N2CCC3(CC2)OCCO3)sc2ncnn12,0,1.0,
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+Oc1c(C(c2ccco2)N2CCOCC2)sc2ncnn12,0,4.0,
+Oc1c(C(c2cccs2)N2CCC3(CC2)OCCO3)sc2ncnn12,0,0.0,
+Oc1c(C(c2cccs2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12,0,1.0,
+Oc1c(C(c2cccs2)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnn12,0,0.0,
+Oc1c(C(c2cccs2)N2CCN(c3ccccc3)CC2)ccc2cccnc12,0,3.0,
+Oc1c(C(c2cccs2)N2CCN(c3ccccc3)CC2)sc2ncnn12,0,2.0,
+Oc1c(C(c2cccs2)N2CCOCC2)sc2ncnn12,0,4.0,
+Oc1c(C2=NCCNC(C(F)(F)F)=C2)ccc2ccccc12,0,0.0,
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+Oc1c(C=C2N=c3ccccc3=N2)sc(=S)n1C1CCCC1,0,0.0,
+Oc1c(C=C2N=c3ccccc3=N2)sc(=S)n1C1CCCCC1,0,0.0,
+Oc1c(C=NCc2ccc(F)cc2)[nH]c2ccc(Br)c(Cl)c12,0,2.0,
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+Oc1c(C=NCc2ccncc2)sc2ccccc12,0,1.0,
+Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12,0,3.0,
+Oc1c(C=Nc2cccc3nsnc23)ccc2ccccc12,0,0.0,
+Oc1c(C=Nc2ccccc2)sc(=S)n1Cc1ccccc1,0,8.0,
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+Oc1c(C=Nc2cccnc2)sc2ccccc12,0,5.0,
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+Oc1c(CN2CCOCC2)cc(-c2ccccc2)cc1CN1CCOCC1,0,0.0,
+Oc1c(CN2CCOCC2)cc(COCc2ccccc2)c2cccnc12,0,0.0,
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+Oc1c(CN2CCc3ccccc3C2)cc(Cl)c2cccnc12,0,0.0,
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+Oc1c(Cl)cc(Cl)c2c1NCCC2,0,0.0,
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+Oc1c(Cl)cc(Cl)cc1C(C#Cc1ccccc1)N1CCOCC1,0,7.0,
+Oc1c(Cl)cc(Cl)cc1C1=NNC(c2ccc(Cl)cc2)C1,0,2.0,
+Oc1c(Cl)cc(Cl)cc1C=Nc1ccc(Br)cc1,0,0.0,
+Oc1c(Cl)cc(Cl)cc1C=Nc1ccc2c(c1)OCCO2,0,0.0,
+Oc1c(Cl)cc(Cl)cc1C=Nc1ccccc1N1CCCC1,0,0.0,
+Oc1c(Cl)cc(Cl)cc1CN1CCN(Cc2ccccc2)CC1,0,0.0,
+Oc1c(Cl)cc(Cl)cc1CNc1ccc(Br)cn1,0,0.0,
+Oc1c(Cl)cc(Cl)cc1CNn1cnnc1,0,0.0,
+Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,0,1.0,
+Oc1c(Cl)cccc1C=Nc1cc(C(F)(F)F)ccc1N1CCCC1,0,0.0,
+Oc1c(I)cc(Cl)c2cccnc12,0,4.0,
+Oc1c(I)cc(I)c2cccnc12,0,0.0,
+Oc1c(N=NC(=S)Nc2ccccc2F)c2ccccc2n1Cc1ccc(Cl)cc1,0,2.0,
+Oc1c(N=NC(=S)Nc2ccccc2F)c2ccccc2n1Cc1ccc(F)cc1,0,1.0,
+Oc1c(N=NC(=S)Nc2ccccc2F)c2ccccc2n1Cc1cccc(Cl)c1,0,10.0,
+Oc1c(N=NC(=S)Nc2ccccc2F)c2ccccc2n1Cc1ccccc1,0,4.0,
+Oc1c(N=NC(=S)Nc2ccccc2F)c2ccccc2n1Cc1ccccc1Cl,0,9.0,
+Oc1c(N=NC(=S)Nc2ccccc2F)c2ccccc2n1Cc1ccccc1F,0,9.0,
+Oc1c(N=Nc2ccccn2)ccc2ccccc12,0,0.0,
+Oc1cc(-c2ccccc2)c2ccccc2c1,0,2.0,
+Oc1cc(Cc2ccccc2)cnc1CN1CCCCC1,0,0.0,
+Oc1cc(Cc2ccccc2)cnc1CN1CCOCC1,0,0.0,
+Oc1cc(NCc2cccnc2)ccc1-c1nc2ccccc2o1,0,0.0,
+Oc1cc2c(cc1C(c1ccc(Br)cc1)N1CCCC1)OCO2,0,0.0,
+Oc1cc2c(cc1C(c1ccc(Cl)c(Cl)c1)N1CCCC1)OCO2,0,0.0,
+Oc1cc2c(cc1CN1CCN(c3cccc(C(F)(F)F)c3)CC1)CCC2,0,0.0,
+Oc1cc2c(cc1CN1CCN(c3ccccc3)CC1)CCC2,0,4.0,
+Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2,0,5.0,
+Oc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2,0,0.0,
+Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2,0,2.0,
+Oc1cc2ccccc2cc1-c1n[nH]c(=S)n1Cc1ccco1,0,0.0,
+Oc1cc2ccccc2cc1-c1n[nH]c(=S)o1,1,40.0,0.0
+Oc1cc2ccccc2cc1-c1nnc2n1-c1ccccc1SC2,0,0.0,
+Oc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1,0,12.0,
+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(-c2[nH]ncc2-c2cnn(-c3ccccc3)c2)c(O)c1,1,25.0,0.0
+Oc1ccc(-c2[nH]ncc2-c2nc3ccccc3s2)c(O)c1,1,62.0,1.0
+Oc1ccc(-c2c(-c3cscn3)c(C(F)(F)F)nn2-c2ccccc2)c(O)c1,0,0.0,
+Oc1ccc(-c2cccc(-c3ccc(O)cc3)n2)cc1,0,0.0,
+Oc1ccc(-c2cn3c(n2)SCC3)cc1,0,0.0,
+Oc1ccc(-c2cn3c(n2)SCC3)cc1O,0,2.0,
+Oc1ccc(-c2cn3cc(C(F)(F)F)ccc3n2)cc1,0,3.0,
+Oc1ccc(-c2cnns2)c(O)c1,0,0.0,
+Oc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)c(O)c1,0,0.0,
+Oc1ccc(-c2csc(-c3ccccc3)n2)cc1O,0,1.0,
+Oc1ccc(-c2csc(-c3cccnc3)n2)c(O)c1,0,0.0,
+Oc1ccc(-c2csc(NCc3ccco3)n2)cc1,0,0.0,
+Oc1ccc(-c2csc(Nc3cccnc3)n2)cc1,0,0.0,
+Oc1ccc(-c2csc(Nc3ncccn3)n2)c(O)c1,0,0.0,
+Oc1ccc(-c2csc(Nc3ncccn3)n2)cc1,0,0.0,
+Oc1ccc(-c2csc(Nc3ncccn3)n2)cc1O,0,0.0,
+Oc1ccc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)c(O)c1,0,0.0,
+Oc1ccc(-c2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)cc1,0,0.0,
+Oc1ccc(-c2n[nH]c(=S)n2Cc2ccccc2)cc1,0,0.0,
+Oc1ccc(-c2n[nH]c(=S)n2Cc2ccco2)cc1,0,5.0,
+Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1,0,0.0,
+Oc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1,0,0.0,
+Oc1ccc(-c2nc(=S)[nH][nH]2)cc1,0,0.0,
+Oc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1,0,0.0,
+Oc1ccc(-c2nc3ccc4ccccc4c3c3c2CCC3)cc1O,0,0.0,
+Oc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1,0,6.0,
+Oc1ccc(-c2nc3ccccn3c2NCc2ccco2)cc1,0,1.0,
+Oc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1,0,4.0,
+Oc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1,0,4.0,
+Oc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc1,0,1.0,
+Oc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1,0,0.0,
+Oc1ccc(-c2nccc(-c3ccc(Cl)cc3Cl)n2)cc1,0,0.0,
+Oc1ccc(-c2nccc(-c3cccs3)n2)cc1,0,2.0,
+Oc1ccc(-c2nnc(-c3ccc(O)cc3)nn2)cc1,0,0.0,
+Oc1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1,0,0.0,
+Oc1ccc(-c2nnc(SCC3CCCCC3)o2)cc1,0,3.0,
+Oc1ccc(-c2nncn2-c2ccccc2)cc1,0,0.0,
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+Oc1ccc(Cl)cc1CNCC1CCCO1,0,0.0,
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+Oc1ccc(NCc2ccccc2OCc2ccccc2F)cc1,0,0.0,
+Oc1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1,0,0.0,
+Oc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1,0,0.0,
+Oc1ccc(Nc2nc(-c3cccs3)cs2)cc1,0,2.0,
+Oc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1,0,0.0,
+Oc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1,0,2.0,
+Oc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1,0,0.0,
+Oc1ccc(Nc2nc3ccccc3nc2Nc2ccc(O)cc2)cc1,0,0.0,
+Oc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1,0,6.0,
+Oc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1,0,0.0,
+Oc1ccc(O)c(-c2cnns2)c1,0,0.0,
+Oc1ccc(O)c(Cc2nc3ccccc3[nH]2)c1,0,4.0,
+Oc1ccc(O)c(Cc2nc3ccccc3s2)c1,0,0.0,
+Oc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1,0,0.0,
+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)ccc12,0,1.0,
+Oc1ccc2c3c1OC1C(O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,0,5.0,
+Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,0,8.0,
+Oc1ccc2cc(Br)ccc2c1CN1CCCC1,0,0.0,
+Oc1ccc2ccc3cccc[n+]3c2c1,0,4.0,
+Oc1ccc2ccccc2c1/C=N/Nc1cccc2cccnc12,0,4.0,
+Oc1ccc2ccccc2c1/C=N/Nc1ccccc1,0,0.0,
+Oc1ccc2ccccc2c1/C=N/Nc1nnc(-c2ncc[nH]2)c2ccccc12,0,1.0,
+Oc1ccc2ccccc2c1/C=N/c1nc2c(s1)CCCC2,0,1.0,
+Oc1ccc2ccccc2c1/C=N/c1nccs1,0,0.0,
+Oc1ccc2ccccc2c1/C=N/n1cnnc1,0,0.0,
+Oc1ccc2ccccc2c1Br,0,0.0,
+Oc1ccc2ccccc2c1C1Nc2cccc3cccc(c23)N1,0,3.0,
+Oc1ccc2ccccc2c1C=NC12CN3CCN(CN(C3)C1)C2,0,0.0,
+Oc1ccc2ccccc2c1C=NC1CCCCC1,0,1.0,
+Oc1ccc2ccccc2c1C=NCc1cn2ccsc2n1,0,2.0,
+Oc1ccc2ccccc2c1C=Nc1cc(C(F)(F)F)ccc1N1CCCC1,0,0.0,
+Oc1ccc2ccccc2c1C=Nc1ccc(Cl)cn1,0,3.0,
+Oc1ccc2ccccc2c1C=Nc1ccc(N2CCOCC2)cc1,0,2.0,
+Oc1ccc2ccccc2c1C=Nc1ccccc1-c1nc2ccccc2[nH]1,0,0.0,
+Oc1ccc2ccccc2c1CN1CC=C(c2ccccc2)CC1,0,4.0,
+Oc1ccc2ccccc2c1CN1CCCC1,0,9.0,
+Oc1ccc2ccccc2c1CN1CCN(c2ccccc2)CC1,0,2.0,
+Oc1ccc2ccccc2c1CN1CCN(c2ccccc2F)CC1,0,3.0,
+Oc1ccc2ccccc2c1CNc1cnc2ccccc2c1,0,9.0,
+Oc1ccc2ccccc2c1CNn1cnnc1,0,3.0,
+Oc1ccc2ccccc2c1N=Nc1ccccn1,0,0.0,
+Oc1ccc2cccnc2c1,0,8.0,
+Oc1ccc2n[nH]nc2c1,0,0.0,
+Oc1ccc2nc(Cc3ccccc3)[nH]c2c1,0,7.0,
+Oc1ccc2oc3c(c2c1)CCCC3,0,0.0,
+Oc1ccc2oc3c(c2c1/C=N/n1cnnc1)CCCC3,0,0.0,
+Oc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1,0,5.0,
+Oc1cccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c1,0,15.0,
+Oc1cccc(-c2nc3ccccc3s2)c1,0,0.0,
+Oc1cccc(/C=N/N(Cc2ccccc2)c2ccccc2)c1,0,0.0,
+Oc1cccc(/C=N/NC(=S)NCCN2CCOCC2)c1O,0,0.0,
+Oc1cccc(/C=N/NC(=S)Nc2cccnc2)c1O,0,0.0,
+Oc1cccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)c1,0,0.0,
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+Oc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1,0,0.0,
+Oc1cccc(/C=N/Nc2cccc3cccnc23)c1,0,0.0,
+Oc1cccc(/C=N/Nc2ncnc3c2ncn3Cc2ccccc2)c1,0,6.0,
+Oc1cccc(/C=N/c2c(-c3ccco3)nc3ccccn23)c1,0,1.0,
+Oc1cccc(/C=N\Nc2nncc(-c3ccccc3)n2)c1,0,8.0,
+Oc1cccc(C(=S)N2CCCCC2)c1,0,0.0,
+Oc1cccc(C(=S)N2CCN(Cc3ccccc3)CC2)c1,0,0.0,
+Oc1cccc(C(Nc2nccs2)c2ccc3cccnc3c2O)c1,0,0.0,
+Oc1cccc(C(O)CNCc2ccc(-c3ccccc3)cc2)c1,0,4.0,
+Oc1cccc(C(O)CNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1,0,0.0,
+Oc1cccc(C2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)CCO3)c1,0,0.0,
+Oc1cccc(C2c3[nH]c4ccccc4c3CCN2Cc2ccoc2)c1,0,2.0,
+Oc1cccc(C2c3[nH]c4ccccc4c3CCN2Cc2cnn(-c3ccccc3)c2)c1,0,1.0,
+Oc1cccc(C=NCc2ccccc2)c1,0,7.0,
+Oc1cccc(C=NCc2ccccc2)c1O,0,7.0,
+Oc1cccc(CCC2CCCCN2Cc2cn[nH]c2-c2ccc3c(c2)OCO3)c1,0,1.0,
+Oc1cccc(CN2CCCCC2)c1,0,0.0,
+Oc1cccc(NC(=S)Nc2ccc(SC(F)F)cc2)c1,0,0.0,
+Oc1cccc(NC(=S)Nc2cccnc2)c1,0,6.0,
+Oc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1,0,4.0,
+Oc1cccc(Nc2ncnc3ccccc23)c1,0,3.0,
+Oc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1,0,3.0,
+Oc1cccc2c(NC(=S)Nc3ccc(SC(F)F)cc3)cccc12,0,1.0,
+Oc1cccc2cc3cccc(O)c3c(O)c12,0,0.0,
+Oc1cccc2ccc(/C=C/c3c(F)cccc3Cl)nc12,0,15.0,
+Oc1cccc2ccc(/C=C/c3ccc(Br)s3)nc12,0,0.0,
+Oc1cccc2ccc(/C=C/c3cccs3)nc12,0,0.0,
+Oc1cccc2ccc(Nc3ccccn3)nc12,0,0.0,
+Oc1cccc2ccc[n+](CC(O)Cn3c4ccccc4c4ccccc43)c12,0,2.0,
+Oc1ccccc1-c1cc(-c2ccc3c(c2)OCCO3)n[nH]1,0,2.0,
+Oc1ccccc1-c1cc(-c2cccc(F)c2)n[nH]1,0,8.0,
+Oc1ccccc1-c1cc(-c2ccccc2)no1,0,0.0,
+Oc1ccccc1-c1cc(-c2ccccc2Cl)[nH]n1,0,0.0,
+Oc1ccccc1-c1cc(-c2ccco2)[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)nc(-c2ccccc2)n1,0,0.0,
+Oc1ccccc1-c1csc(-c2ccccc2)n1,0,6.0,
+Oc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1,0,5.0,
+Oc1ccccc1-c1nc(/C=C/c2ccccc2)nn1-c1ccccc1,0,0.0,
+Oc1ccccc1-c1nc(N2CCCC2)c2ccccc2n1,0,6.0,
+Oc1ccccc1-c1nc(N2CCN(Cc3ccccc3)CC2)c2ccccc2n1,0,0.0,
+Oc1ccccc1-c1nc(NCC2CCCO2)c2ccccc2n1,0,0.0,
+Oc1ccccc1-c1nc(NCCN2CCOCC2)c2ccccc2n1,0,0.0,
+Oc1ccccc1-c1nc(NCc2ccco2)c2ccccc2n1,0,0.0,
+Oc1ccccc1-c1nc2cnccn2c1Nc1ccc2c(c1)OCCO2,0,14.0,
+Oc1ccccc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1,0,7.0,
+Oc1ccccc1-c1nnc(COc2ccc(Cl)cc2Cl)o1,0,4.0,
+Oc1ccccc1-c1nnc(COc2ccccc2)o1,0,7.0,
+Oc1ccccc1-c1nnc(SCCN2CCOCC2)n1Cc1ccccc1,0,4.0,
+Oc1ccccc1/C=C/c1noc(-c2ccccc2O)n1,0,10.0,
+Oc1ccccc1/C=N/N1CCCCC1,0,6.0,
+Oc1ccccc1/C=N/NC1=NCCCCC1,0,2.0,
+Oc1ccccc1/C=N/NP(=S)(c1ccccc1)c1ccccc1,0,1.0,
+Oc1ccccc1/C=N/Nc1cc(N2CCCC2)nc(N2CCCC2)n1,0,6.0,
+Oc1ccccc1/C=N/Nc1cccc2cccnc12,0,0.0,
+Oc1ccccc1/C=N/Nc1ccccc1,0,0.0,
+Oc1ccccc1/C=N/Nc1ccnc(SCc2ccccc2)n1,0,9.0,
+Oc1ccccc1/C=N/Nc1ncc(Br)cn1,0,1.0,
+Oc1ccccc1/C=N/Nc1nccnc1Cl,0,0.0,
+Oc1ccccc1/C=N/c1c(-c2ccco2)nc2ccccn12,0,0.0,
+Oc1ccccc1/C=N/n1c(-c2cccs2)n[nH]c1=S,0,2.0,
+Oc1ccccc1/C=N/n1c2ccccc2c2ccccc21,0,0.0,
+Oc1ccccc1/C=N/n1cnn(Cc2ccccc2Cl)c1=S,0,0.0,
+Oc1ccccc1/C=N/n1cnnc1,0,0.0,
+Oc1ccccc1C(=S)N1CCCCC1,0,1.0,
+Oc1ccccc1C(=S)N1CCCCCC1,0,0.0,
+Oc1ccccc1C(=S)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+Oc1ccccc1C1=NCCNC(C(F)(F)C(F)F)=C1,0,0.0,
+Oc1ccccc1C1=NCCNC(C(F)(F)F)=C1,0,0.0,
+Oc1ccccc1C1=NOC(O)(C(F)F)C1,0,6.0,
+Oc1ccccc1C1=Nc2ccccc2N=C(c2ccco2)C1,0,0.0,
+Oc1ccccc1C1=Nc2ccccc2N=C(c2cccs2)C1,0,8.0,
+Oc1ccccc1C1=Nc2nc3ccccc3n2C(c2ccccc2)C1,0,12.0,
+Oc1ccccc1C1=Nc2ncnn2C(c2ccccc2)C1,0,1.0,
+Oc1ccccc1C1CC(c2cccs2)=NC(c2ccc(Cl)cc2)N1,0,0.0,
+Oc1ccccc1C1CC(c2cccs2)=NC(c2cccc(Br)c2)N1,0,3.0,
+Oc1ccccc1C1N=C(c2ccccc2)NC(c2ccccc2)=N1,0,2.0,
+Oc1ccccc1C1Nc2cccc3cccc(c23)N1,0,0.0,
+Oc1ccccc1C1OCC2(CO1)COC(c1ccccc1O)OC2,0,0.0,
+Oc1ccccc1C=NC(c1ccccc1)C(O)c1ccccc1,0,0.0,
+Oc1ccccc1C=NC1=NN(c2cccc(C(F)(F)F)c2)CC1,0,0.0,
+Oc1ccccc1C=NC1CCCCC1N=Cc1ccccc1O,0,4.0,
+Oc1ccccc1C=NCC(O)c1ccccc1,0,7.0,
+Oc1ccccc1C=Nc1ccccc1-c1nc2ccccc2[nH]1,0,5.0,
+Oc1ccccc1CN(Cc1ccco1)CC(O)COCc1ccc(Cl)cc1,0,0.0,
+Oc1ccccc1CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1,0,8.0,
+Oc1ccccc1CN1CCCN(Cc2ccccc2O)C1,0,19.0,
+Oc1ccccc1CNCCCNCc1ccccc1O,1,29.0,0.0
+Oc1ccccc1CNCc1ccccc1,0,3.0,
+Oc1ccccc1CNc1ccc(Br)cn1,0,6.0,
+Oc1ccccc1CNc1ccc(OC(F)(F)F)cc1,0,0.0,
+Oc1ccccc1CNc1ccc2c(c1)OCCO2,0,0.0,
+Oc1ccccc1CNc1cccc2cccnc12,0,0.0,
+Oc1ccccc1CNc1ccccn1,0,12.0,
+Oc1ccccc1CNc1cnc2ccccc2c1,0,0.0,
+Oc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1,0,3.0,
+Oc1ccccc1CNc1ncc(Br)cc1Br,0,0.0,
+Oc1ccccc1CNn1cnnc1,0,0.0,
+Oc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21,0,0.0,
+Oc1ccccc1N1CCN(C(=S)NCCc2ccccc2)CC1,0,0.0,
+Oc1ccccc1N1CCN(C(=S)NCc2ccccc2)CC1,0,0.0,
+Oc1ccccc1N1CCN(C(=S)Nc2ccc(SC(F)F)cc2)CC1,0,1.0,
+Oc1ccccc1N1CCN(CC(O)COCc2ccccc2Cl)CC1,0,12.0,
+Oc1ccccc1N1CCN(c2ncccn2)CC1,0,0.0,
+Oc1ccccc1N=Cc1ccc[nH]1,0,0.0,
+Oc1ccccc1N=Cc1sc2ccccc2c1Cl,0,2.0,
+Oc1ccccc1N=Nc1ccccc1O,0,0.0,
+Oc1ccccc1N=Nc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,0,0.0,
+Oc1ccccc1NCC(O)Cn1ccc2ccccc21,0,0.0,
+Oc1ccccc1Nc1nc(NCC2CCCO2)c2ccccc2n1,0,0.0,
+Oc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1,0,4.0,
+Oc1ccccc1Nc1ncnc2c1oc1ccccc12,0,18.0,
+Oc1ccccc1OCc1nc2ccccc2s1,0,0.0,
+Oc1ccccc1Oc1c(F)c(F)nc(N2CCCC2)c1F,0,0.0,
+Oc1ccccc1Oc1ncc(Br)c(N2CCOCC2)n1,0,0.0,
+Oc1cccnc1CCc1ccccc1,0,0.0,
+Oc1cnc2ccccc2c1CN1CCOCC1,0,1.0,
+Oc1cnn(-c2ccccc2)c1,0,6.0,
+Oc1csc(Cc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1,0,0.0,
+Oc1csc(Cc2nc(-c3ccc(Br)cc3)cs2)n1,0,0.0,
+Oc1csc(Cc2nc(-c3ccc4ccccc4c3)cs2)n1,0,0.0,
+Oc1csc(Cc2nc(-c3ccccc3F)cs2)n1,0,0.0,
+Oc1nc(-c2ccc(Br)cc2)n2ccncc12,0,0.0,
+Oc1nc(-c2ccc(Cl)cc2)n2ccncc12,0,2.0,
+Oc1nc(Nc2ccc(Cl)cc2Cl)sc1/C=C1\C=Nc2ccccc21,0,0.0,
+Oc1nc(Nc2cccc(Cl)c2)sc1/C=C1\C=Nc2ccccc21,0,3.0,
+Oc1oc(-c2ccc(Br)cc2)nc1/C=N/c1ccccn1,0,4.0,
+Oc1oc(-c2ccc(Br)cc2)nc1C=Nc1ccc(Br)cn1,0,2.0,
+Oc1oc(-c2cccc3ccccc23)nc1/C=N/c1nccs1,0,0.0,
+Oc1oc(-c2cccc3ccccc23)nc1C=NCc1ccccc1,0,0.0,
+Oc1oc(-c2ccccc2)nc1/C=N/c1ccccn1,0,4.0,
+Oc1oc(-c2ccccc2)nc1/C=N/c1nccs1,0,4.0,
+Oc1oc(-c2ccccc2)nc1C=NCc1ccccc1,0,1.0,
+Oc1oc(-c2ccccc2)nc1C=NCc1ccncc1,0,0.0,
+Oc1oc(-c2ccccc2)nc1C=Nc1cccc2ccccc12,0,9.0,
+Oc1oc(-c2ccccc2)nc1C=Nc1ccccc1,0,0.0,
+Oc1oc(-c2ccccc2Br)nc1/C=N/c1ccccn1,0,1.0,
+Oc1oc(-c2ccccc2Br)nc1C=Nc1ccc(Br)cn1,0,0.0,
+Oc1oc(-c2ccco2)nc1C=Nc1cccc(Cl)c1,0,2.0,
+Oc1oc(-c2ccco2)nc1C=Nc1ccccc1,0,5.0,
+Oc1oc(C=Nc2ccc(F)cc2F)c2ccccc12,0,0.0,
+Oc1sc(C=Nc2ccc(F)cc2)c2ccccc12,0,2.0,
+Oc1sc(C=Nc2ccccc2)c2ccccc12,0,2.0,
+On1c(-c2ccc(Cl)cc2)nc2ccccc21,0,0.0,
+On1c(-c2ccccc2)nc2ccc(Cl)cc21,0,19.0,
+On1c(-c2ccccc2Cl)nc2ccccc21,0,2.0,
+On1c(-c2ccco2)nc2c1CCc1nonc1-2,0,0.0,
+On1c2c(c3c4nonc4ccc31)CCCC2,0,6.0,
+On1cnnc1-c1ccccc1,0,0.0,
+On1nnc2c3ccccc3c3ccccc3c21,0,8.0,
+On1nnc2cc(C(F)(F)F)ccc21,0,0.0,
+On1nnc2ccc(C(F)(F)F)cc21,0,0.0,
+On1nnc2ccc3ccccc3c21,0,4.0,
+On1onc2c3cc(-c4ccccc4)nc3ccc21,0,0.0,
+S=C(Cc1ccc(Cl)cc1)N1CCOCC1,0,4.0,
+S=C(Cc1cccnc1)N1CCOCC1,0,3.0,
+S=C(N/N=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl,0,0.0,
+S=C(N/N=C/c1ccc(Cl)cc1)N1CCOCC1,0,0.0,
+S=C(N/N=C/c1ccc2ncccc2c1)Nc1ccccc1,0,0.0,
+S=C(N/N=C/c1ccc2ncccc2c1)Nc1cccnc1,0,0.0,
+S=C(N/N=C/c1ccccc1)N1CCOCC1,0,8.0,
+S=C(N/N=C/c1ccccc1Cl)Nc1ccccc1,0,9.0,
+S=C(N/N=C1\C2CN3CCN(C2)CC1(c1ccccc1)C3)Nc1ccccc1,0,0.0,
+S=C(N/N=C1\CCc2ccccc21)NC1CCCCC1,0,4.0,
+S=C(N=Nc1ccccc1)NNc1ccccc1,0,0.0,
+S=C(NC12CC3CC(CC(C3)C1)C2)N1CCCC1,0,0.0,
+S=C(NC12CC3CC(CC(C3)C1)C2)N1CCOCC1,0,6.0,
+S=C(NC1CC1)N1CCN(c2ccc(Cl)cc2)CC1,0,0.0,
+S=C(NC1CC1)N1CCc2ccccc2C1,0,0.0,
+S=C(NC1CC1)NC1CCCc2ccccc21,0,1.0,
+S=C(NC1CC2CCC1C2)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+S=C(NC1CC2CCC1C2)N1CCN(c2ncccn2)CC1,0,0.0,
+S=C(NC1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+S=C(NC1CCCC1)N1CCN(c2ccc(Cl)cc2)CC1,0,5.0,
+S=C(NC1CCCC1)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+S=C(NC1CCCC1)N1CCN(c2ccccn2)CC1,0,3.0,
+S=C(NC1CCCC1)N1CCN(c2ncccn2)CC1,0,2.0,
+S=C(NC1CCCC1)N1CCOCC1,0,0.0,
+S=C(NC1CCCC1)NC1CC1,0,1.0,
+S=C(NC1CCCC1)NC1CCCC1,0,0.0,
+S=C(NC1CCCC1)NN1CCOCC1,0,0.0,
+S=C(NC1CCCCC1)N(CCc1ccccc1)CCc1ccccc1,0,3.0,
+S=C(NC1CCCCC1)N(CCc1nc2ccccc2[nH]1)C1CCCC1,0,2.0,
+S=C(NC1CCCCC1)N1CCN(C/C=C/c2ccccc2)CC1,0,0.0,
+S=C(NC1CCCCC1)N1CCN(C2CCCCC2)CC1,0,6.0,
+S=C(NC1CCCCC1)N1CCN(Cc2ccccc2)CC1,0,4.0,
+S=C(NC1CCCCC1)N1CCN(Cc2ccccc2Cl)CC1,0,0.0,
+S=C(NC1CCCCC1)N1CCN(c2ccccn2)CC1,0,0.0,
+S=C(NC1CCCCC1)N1CCN(c2ncccn2)CC1,0,0.0,
+S=C(NC1CCCCC1)N1CCc2ccccc2C1,0,0.0,
+S=C(NC1CCCCC1)N1CCn2cccc2C1c1cccnc1,0,0.0,
+S=C(NC1CCCCC1)N1CCn2cccc2C1c1ccncc1,0,0.0,
+S=C(NC1CCCCC1)NC1CC2CCC(C1)N2Cc1ccccc1,0,0.0,
+S=C(NC1CCCCC1)NN(c1ccccc1)c1ccccc1,0,6.0,
+S=C(NC1CCCCC1)NN1CCOCC1,0,0.0,
+S=C(NC1CCCCC1)c1ccc2c(c1)OCO2,0,3.0,
+S=C(NC1CCCCCC1)NC1CCCC1,0,1.0,
+S=C(NCC(c1cccnc1)N1CCOCC1)NC1CCCCC1,0,12.0,
+S=C(NCC(c1ccco1)N1CCCC1)Nc1ccccc1,0,0.0,
+S=C(NCC1CCCCC1)Nc1ccc(Oc2ccccc2)cc1,0,0.0,
+S=C(NCC1CCCCC1)Nc1cccnc1,0,7.0,
+S=C(NCC1CCCO1)N1CCN(Cc2ccccc2)CC1,0,1.0,
+S=C(NCC1CCCO1)N1CCN(Cc2ccccc2Cl)CC1,0,0.0,
+S=C(NCC1CCCO1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,0,0.0,
+S=C(NCC1CCCO1)N1CCN(c2cccc(Cl)c2)CC1,0,0.0,
+S=C(NCC1CCCO1)N1CCN(c2ccccc2)CC1,0,3.0,
+S=C(NCC1CCCO1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1,0,0.0,
+S=C(NCC1CCCO1)N1CCN(c2nc(-c3ccccc3)cs2)CC1,0,0.0,
+S=C(NCC1CCCO1)NC12CC3CC(CC(C3)C1)C2,0,0.0,
+S=C(NCC1CCCO1)NC1CC1,0,0.0,
+S=C(NCC1CCCO1)NC1CCCC1,0,0.0,
+S=C(NCC1CCCO1)NC1CCCCC1,0,3.0,
+S=C(NCC1CCCO1)Nc1cc(Cl)c(Cl)cc1Cl,0,0.0,
+S=C(NCC1CCCO1)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+S=C(NCC1CCCO1)Nc1ccc(Cl)cc1,0,2.0,
+S=C(NCC1CCCO1)Nc1ccc(Cl)cc1Cl,0,4.0,
+S=C(NCC1CCCO1)Nc1ccc(Nc2ccccc2)cc1,0,0.0,
+S=C(NCC1CCCO1)Nc1cccc(Cl)c1,0,3.0,
+S=C(NCC1CCCO1)Nc1cccc2ccccc12,0,1.0,
+S=C(NCC1CCCO1)Nc1ccccc1,0,0.0,
+S=C(NCC1CCCO1)Nc1ccccc1Cl,0,5.0,
+S=C(NCC1CCCO1)n1nnc2ccccc21,0,0.0,
+S=C(NCC1COc2ccccc2O1)Nc1ccc(Br)cc1,0,2.0,
+S=C(NCC1COc2ccccc2O1)Nc1ccccc1,0,0.0,
+S=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1,0,5.0,
+S=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1,0,0.0,
+S=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccccc1Cl,0,1.0,
+S=C(NCCC1=CCCCC1)NCc1ccco1,0,0.0,
+S=C(NCCC1=CCCCC1)Nc1ccc(Cl)cc1,0,0.0,
+S=C(NCCC1=CCCCC1)Nc1ccccc1,0,8.0,
+S=C(NCCCN1CCOCC1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1,0,0.0,
+S=C(NCCCN1CCOCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1,0,0.0,
+S=C(NCCCN1CCOCC1)NC1CC1,0,4.0,
+S=C(NCCCN1CCOCC1)NC1CCCC1,0,0.0,
+S=C(NCCCN1CCOCC1)NCCCN1CCOCC1,0,6.0,
+S=C(NCCCN1CCOCC1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1,0,6.0,
+S=C(NCCCN1CCOCC1)Nc1ccc(Cl)c(Cl)c1,0,0.0,
+S=C(NCCCN1CCOCC1)Nc1ccc(Cl)cc1,0,1.0,
+S=C(NCCCN1CCOCC1)Nc1ccc(Cl)cc1Cl,0,0.0,
+S=C(NCCCN1CCOCC1)Nc1ccc(N2CCOCC2)cc1,0,4.0,
+S=C(NCCCN1CCOCC1)Nc1ccc(Nc2ccccc2)cc1,0,0.0,
+S=C(NCCCN1CCOCC1)Nc1cccc(-c2nnc3n2CCCCC3)c1,0,1.0,
+S=C(NCCCN1CCOCC1)Nc1cccc(Cl)c1,0,3.0,
+S=C(NCCCNC(=S)Nc1ccccc1)Nc1ccccc1,0,8.0,
+S=C(NCCCc1ccccc1)Nc1ccc(Cl)cc1,0,9.0,
+S=C(NCCCc1ccccc1)Nc1ccccc1Cl,0,0.0,
+S=C(NCCCn1ccnc1)NC1CCCCC1,0,1.0,
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+S=C(Nc1ccc2nccnc2c1)N1CCCC1,0,0.0,
+S=C(Nc1ccc2nccnc2c1)N1CCOCC1,0,5.0,
+S=C(Nc1ccc2nsnc2c1)N1CCCC1,0,0.0,
+S=C(Nc1ccc2nsnc2c1)N1CCCCC1,0,1.0,
+S=C(Nc1ccc2nsnc2c1)N1CCCCCC1,0,0.0,
+S=C(Nc1ccc2nsnc2c1)NC1CCCCC1,0,0.0,
+S=C(Nc1ccc2snnc2c1)N1CCN(c2ccccn2)CC1,0,0.0,
+S=C(Nc1cccc(Br)c1)N1CCn2cccc2C1c1cccnc1,0,0.0,
+S=C(Nc1cccc(Br)c1)c1ccccc1,0,0.0,
+S=C(Nc1cccc(Cl)c1)N(CCCN1CCCC1)Cc1cccn1Cc1ccc(Cl)cc1,0,6.0,
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+S=C(Nc1cccc(Cl)c1)NC1CC2CCCC(C1)N2C1CCCC1,0,0.0,
+S=C(Nc1cccc(Cl)c1)NC1CCCCC1,0,0.0,
+S=C(Nc1cccc(Cl)c1)Nc1ccc2cn[nH]c2c1,0,0.0,
+S=C(Nc1cccc(Cl)c1)Nc1cccc2cnccc12,0,0.0,
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+S=C(Nc1cccc(Cl)c1Cl)N1CCC2(CC1)OCCO2,0,0.0,
+S=C(Nc1cccc(Cl)c1Cl)Nn1cnnc1,0,2.0,
+S=C(Nc1cccc2ccccc12)N1CCN(c2ncccn2)CC1,0,3.0,
+S=C(Nc1cccc2ccccc12)NC1CCCCC1,0,3.0,
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+S=C(Nc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1,0,1.0,
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+S=C(Nc1ccccc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0.0,
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+S=C(Nc1ccccc1)N1CCOCC1,0,1.0,
+S=C(Nc1ccccc1)N1CCn2c(nc3ccccc32)C1,0,1.0,
+S=C(Nc1ccccc1)N1CCn2c1nc1ccccc12,0,0.0,
+S=C(Nc1ccccc1)N1CCn2cccc2C1c1cccnc1,0,0.0,
+S=C(Nc1ccccc1)N1N=C(c2cccs2)CC1c1cccs1,0,7.0,
+S=C(Nc1ccccc1)N1N=CCC1c1ccccc1,0,0.0,
+S=C(Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1,0,1.0,
+S=C(Nc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1,0,7.0,
+S=C(Nc1ccccc1)Nc1ccc(Br)cn1,0,0.0,
+S=C(Nc1ccccc1)Nc1ccc(Cl)cc1Cl,0,0.0,
+S=C(Nc1ccccc1)Nc1ccc(Cl)cn1,0,0.0,
+S=C(Nc1ccccc1)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1,0,5.0,
+S=C(Nc1ccccc1)Nc1ccc(OCc2ccccc2)cc1,0,0.0,
+S=C(Nc1ccccc1)Nc1cccc(Br)c1,0,0.0,
+S=C(Nc1ccccc1)Nc1cccc(Cl)c1Cl,0,2.0,
+S=C(Nc1ccccc1)Nc1nc2ccccc2n1CCOc1ccc(Br)cc1,0,0.0,
+S=C(Nc1ccccc1)Nc1nc2ccccc2n1CCOc1ccc(Cl)cc1,0,2.0,
+S=C(Nc1ccccc1)Nc1nc2ccccc2n1CCOc1ccccc1,0,9.0,
+S=C(Nc1ccccc1)Nn1cnnc1,0,0.0,
+S=C(Nc1ccccc1)c1ccccn1,0,0.0,
+S=C(Nc1ccccc1)c1nc2ccccc2s1,0,0.0,
+S=C(Nc1ccccc1Cl)N(CCCN1CCOCC1)Cc1ccccn1,0,0.0,
+S=C(Nc1ccccc1Cl)N(CCCN1CCOCC1)Cc1ccco1,0,2.0,
+S=C(Nc1ccccc1Cl)N(CCN1CCCCC1)Cc1ccco1,0,8.0,
+S=C(Nc1ccccc1Cl)N(Cc1ccccc1)Cc1ccccn1,0,16.0,
+S=C(Nc1ccccc1Cl)N(Cc1ccccc1)Cc1cccnc1,0,4.0,
+S=C(Nc1ccccc1Cl)N(Cc1cccnc1)Cc1ccco1,0,5.0,
+S=C(Nc1ccccc1Cl)N1CCC(c2ccccc2)C1,0,0.0,
+S=C(Nc1ccccc1Cl)N1CCCC1,0,0.0,
+S=C(Nc1ccccc1Cl)N1CCCCC1,0,1.0,
+S=C(Nc1ccccc1Cl)N1CCCCCC1,0,0.0,
+S=C(Nc1ccccc1Cl)N1CCN(Cc2ccccc2)CC1,0,0.0,
+S=C(Nc1ccccc1Cl)N1CCOCC1,0,6.0,
+S=C(Nc1ccccc1Cl)NC1CC2CCCC(C1)N2C1CC1,0,0.0,
+S=C(Nc1ccccc1Cl)NC1CCC(NC(=S)Nc2ccccc2Cl)CC1,0,0.0,
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+S=C(Nc1ccccc1Oc1ccccc1)NC1CCCC1,0,3.0,
+S=C(Nc1ccccc1Oc1ccccc1)Nc1cccc(Cl)c1Cl,0,1.0,
+S=C(Nc1ccccn1)NC1CCCC1,0,0.0,
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+S=C(Nc1ccccn1)c1ccccn1,0,0.0,
+S=C(Nc1cccnc1)N1CCCCC1,0,0.0,
+S=C(Nc1cccnc1)NC1CCCC1,0,0.0,
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+S=C(Nc1cccnc1)Nc1ccccc1Br,0,2.0,
+S=C(c1c[nH]c2ccc(Br)cc12)N1CCOCC1,0,0.0,
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+S=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCCCC1,0,0.0,
+S=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCOCC1,0,5.0,
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+S=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCOCC1,0,1.0,
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+S=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCCCC1,0,11.0,
+S=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCCCC1,0,9.0,
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+S=C(c1ccc(N2CCCC2)cc1)N1CCCCC1,0,0.0,
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+S=c1[nH]nc(-c2ccccn2)n1/N=C/c1ccc(Br)s1,0,0.0,
+S=c1[nH]nc(-c2ccccn2)n1/N=C/c1cccc(Cl)c1,0,0.0,
+S=c1[nH]nc(-c2ccccn2)n1/N=C/c1cccc2ccccc12,0,0.0,
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+S=c1[nH]nc(-c2ccccn2)n1/N=C/c1cccs1,0,0.0,
+S=c1[nH]nc(-c2cccnc2)n1-c1ccc2c(c1)OCCO2,0,0.0,
+S=c1[nH]nc(-c2cccnc2)n1-c1ccccc1,0,5.0,
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+S=c1[nH]nc(-c2cccnc2)n1/N=C/c1ccc(Br)s1,0,3.0,
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