diff --git "a/benchmarks/open_generation/MolOpt/MR/test.csv" "b/benchmarks/open_generation/MolOpt/MR/test.csv"
new file mode 100644--- /dev/null
+++ "b/benchmarks/open_generation/MolOpt/MR/test.csv"
@@ -0,0 +1,5001 @@
+index,Instruction,molecule,MR
+81623,Modify the molecule O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 to decrease its MR value.,O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1,112.2737
+15981,Please optimize the molecule CCCc1nc(-c2cc(Cl)cs2)nc(NC)c1Br to have a lower MR value.,CCCc1nc(-c2cc(Cl)cs2)nc(NC)c1Br,81.59670000000003
+218124,Modify the molecule CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(NN)c1 to have a lower MR value.,CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(NN)c1,74.91820000000003
+97332,Please modify the molecule O[C@H](COc1ccc2ccccc2c1)CN1CC[NH2+]CC1 to decrease its MR value.,O[C@H](COc1ccc2ccccc2c1)CN1CC[NH2+]CC1,83.54920000000004
+78292,Please modify the molecule COC[C@@H](C)Cn1c(N)nc2cc(C)cnc21 to decrease its MR value.,COC[C@@H](C)Cn1c(N)nc2cc(C)cnc21,67.71740000000003
+153626,Optimize the molecule CCc1nc(=O)n([C@H]2CCCOC2)c(CC)c1CC(=O)[O-] to have a lower MR value.,CCc1nc(=O)n([C@H]2CCCOC2)c(CC)c1CC(=O)[O-],75.05400000000004
+79721,Modify the molecule Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[C@@H](C)O)o1 to decrease its MR value.,Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[C@@H](C)O)o1,73.51180000000004
+58635,Please modify the molecule C[C@@H](Sc1nnc(-c2cccc(F)c2)n1C)C(=O)Nc1nccs1 to increase its MR value.,C[C@@H](Sc1nnc(-c2cccc(F)c2)n1C)C(=O)Nc1nccs1,92.45970000000001
+247392,Modify the molecule Cc1ccc(O)c(CN2CCN(C(=O)Cc3ccccc3C)CC2)c1 to decrease its MR value.,Cc1ccc(O)c(CN2CCN(C(=O)Cc3ccccc3C)CC2)c1,99.58380000000004
+242687,Modify the molecule CC(C)NC(=O)c1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 to have a higher MR value.,CC(C)NC(=O)c1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1,108.34640000000003
+33511,Modify the molecule NC(=O)c1ccc(NC(=O)c2nn3ccccc3c2Cl)cc1 to increase its MR value.,NC(=O)c1ccc(NC(=O)c2nn3ccccc3c2Cl)cc1,83.1151
+27457,Please optimize the molecule COc1ccccc1NC1CC[NH+](Cc2csc(NC(C)=O)n2)CC1 to have a lower MR value.,COc1ccccc1NC1CC[NH+](Cc2csc(NC(C)=O)n2)CC1,100.45710000000005
+156145,Please optimize the molecule CC/C=C(\C)[C@@H](O)[C@H](C)C(N)=O to have a lower MR value.,CC/C=C(\C)[C@@H](O)[C@H](C)C(N)=O,48.41320000000002
+172830,Modify the molecule CN(CCS(C)(=O)=O)C(=O)Nc1cccc(C(=O)[O-])c1 to decrease its MR value.,CN(CCS(C)(=O)=O)C(=O)Nc1cccc(C(=O)[O-])c1,72.13200000000003
+227396,Please modify the molecule COC(=O)c1cc(-c2ncccc2C(=O)[O-])cs1 to decrease its MR value.,COC(=O)c1cc(-c2ncccc2C(=O)[O-])cs1,63.22000000000002
+47232,Please modify the molecule COC(=O)c1ccc(F)c(F)c1 to decrease its MR value.,COC(=O)c1ccc(F)c(F)c1,37.69750000000002
+60488,Please modify the molecule COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)(=O)C3)cc1 to increase its MR value.,COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)(=O)C3)cc1,105.57600000000002
+230044,Modify the molecule C[NH2+][C@@H](Cc1cccc(F)c1F)c1ccc(OC)cc1Br to have a higher MR value.,C[NH2+][C@@H](Cc1cccc(F)c1F)c1ccc(OC)cc1Br,81.34640000000003
+166406,Please optimize the molecule O=C(CNc1ccc(Cl)c(Br)c1)Nc1ccc(F)cc1 to have a lower MR value.,O=C(CNc1ccc(Cl)c(Br)c1)Nc1ccc(F)cc1,82.6714
+208558,Please modify the molecule Cc1cc([C@H]([NH3+])[C@@H]2COc3ccccc32)ccc1F to increase its MR value.,Cc1cc([C@H]([NH3+])[C@@H]2COc3ccccc32)ccc1F,71.44410000000002
+167661,Please modify the molecule O=C([O-])[C@H]1SC=C[C@@H]1S(=O)(=O)NCCC1=c2ccccc2=[NH+]C1 to decrease its MR value.,O=C([O-])[C@H]1SC=C[C@@H]1S(=O)(=O)NCCC1=c2ccccc2=[NH+]C1,84.88620000000003
+85190,Please modify the molecule Cc1cccc(CC(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)c1 to increase its MR value.,Cc1cccc(CC(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)c1,98.54600000000005
+238258,Modify the molecule CC[C@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)C[C@H](C)O1 to increase its MR value.,CC[C@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)C[C@H](C)O1,89.18240000000006
+81940,Please modify the molecule C=C(Cl)Cc1ccc(CC)cc1 to decrease its MR value.,C=C(Cl)Cc1ccc(CC)cc1,54.51700000000003
+83052,Optimize the molecule COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1cccc(Cl)c1 to have a higher MR value.,COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1cccc(Cl)c1,81.06070000000004
+13621,Modify the molecule CC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4F)c(C)c(C)n23)n(C)c1=O to have a higher MR value.,CC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4F)c(C)c(C)n23)n(C)c1=O,106.35000000000005
+215315,Modify the molecule C[C@@H](C(=O)N1CCC(NC(N)=O)CC1)c1ccc2ccccc2c1 to have a lower MR value.,C[C@@H](C(=O)N1CCC(NC(N)=O)CC1)c1ccc2ccccc2c1,94.68410000000004
+3601,Please optimize the molecule Cc1ccc(CC(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)s1 to have a lower MR value.,Cc1ccc(CC(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)s1,81.12870000000002
+57157,Optimize the molecule CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 to have a lower MR value.,CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1,105.95320000000002
+36305,Modify the molecule O=S(=O)(/N=C(\[O-])c1scnc1C1CC1)c1ccc2ccccc2c1 to increase its MR value.,O=S(=O)(/N=C(\[O-])c1scnc1C1CC1)c1ccc2ccccc2c1,91.75980000000003
+184131,Please optimize the molecule CCOC(=O)[C@]1(C)CCN(c2cncc(-n3ccnc3C)n2)C1 to have a higher MR value.,CCOC(=O)[C@]1(C)CCN(c2cncc(-n3ccnc3C)n2)C1,85.46100000000004
+224408,Modify the molecule COc1ccccc1N1/C(=N/C(=O)Cc2cccs2)S[C@H]2CS(=O)(=O)C[C@H]21 to have a lower MR value.,COc1ccccc1N1/C(=N/C(=O)Cc2cccs2)S[C@H]2CS(=O)(=O)C[C@H]21,109.75880000000002
+240045,Optimize the molecule Cc1nc(-c2cccc(Cl)c2)nc(NC2CC[NH2+]CC2)c1C to have a lower MR value.,Cc1nc(-c2cccc(Cl)c2)nc(NC2CC[NH2+]CC2)c1C,90.25610000000003
+21226,Please modify the molecule O=C(Nc1cccc(F)c1)N(Cc1ccncc1)Cc1cccnc1 to decrease its MR value.,O=C(Nc1cccc(F)c1)N(Cc1ccncc1)Cc1cccnc1,93.13970000000003
+115175,Please optimize the molecule CC(=O)N(C)Cc1cccc(NC(=O)c2ccc(-n3cccc3)nc2)c1 to have a higher MR value.,CC(=O)N(C)Cc1cccc(NC(=O)c2ccc(-n3cccc3)nc2)c1,100.10720000000002
+31816,Modify the molecule CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccs1 to decrease its MR value.,CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccs1,69.57580000000004
+136141,Modify the molecule Nc1ccc(OC[C@H]2CSc3ccccc32)c(Cl)c1 to decrease its MR value.,Nc1ccc(OC[C@H]2CSc3ccccc32)c(Cl)c1,81.26640000000003
+23846,Modify the molecule CC(=O)c1c[nH]c(C(=O)NCc2csc3ccccc23)c1 to increase its MR value.,CC(=O)c1c[nH]c(C(=O)NCc2csc3ccccc23)c1,83.79240000000003
+189650,Modify the molecule CC1(C)[C@@H]2CC[C@@]1(C)[C@@](C#N)(Nc1ccccc1)C2 to decrease its MR value.,CC1(C)[C@@H]2CC[C@@]1(C)[C@@](C#N)(Nc1ccccc1)C2,77.63770000000005
+172272,Please optimize the molecule CS[C@@H]1CCC[C@@H]1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F to have a higher MR value.,CS[C@@H]1CCC[C@@H]1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F,96.89290000000005
+79876,Please optimize the molecule Cc1ccc([C@H]2CSCC[NH+]2C2CCN(C(N)=O)CC2)o1 to have a higher MR value.,Cc1ccc([C@H]2CSCC[NH+]2C2CCN(C(N)=O)CC2)o1,83.51910000000004
+224183,Modify the molecule COC(=O)c1sccc1N/C=C(\C#N)S(=O)(=O)C(C)(C)C to have a higher MR value.,COC(=O)c1sccc1N/C=C(\C#N)S(=O)(=O)C(C)(C)C,81.65000000000003
+133583,Modify the molecule Ic1ccccc1OCc1nnc(-c2cccs2)o1 to have a lower MR value.,Ic1ccccc1OCc1nnc(-c2cccs2)o1,81.10200000000002
+33389,Please optimize the molecule CCS[C@@H]1CC[C@H](NC(=O)Nc2ccccc2-n2nc(C)nc2C)C1 to have a lower MR value.,CCS[C@@H]1CC[C@H](NC(=O)Nc2ccccc2-n2nc(C)nc2C)C1,102.54640000000005
+216520,Optimize the molecule C[C@@H](C(=O)Nc1ccnn1C1CCCC1)n1c(=O)oc2ccccc21 to have a higher MR value.,C[C@@H](C(=O)Nc1ccnn1C1CCCC1)n1c(=O)oc2ccccc21,93.54670000000003
+98246,Please modify the molecule CC(C)C1CCC([NH+]2CCN(CC(=O)N3CCNC3=O)CC2)CC1 to increase its MR value.,CC(C)C1CCC([NH+]2CCN(CC(=O)N3CCNC3=O)CC2)CC1,92.83240000000006
+142332,Modify the molecule COc1ccccc1[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 to decrease its MR value.,COc1ccccc1[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1,92.59950000000003
+119516,Modify the molecule C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 to increase its MR value.,C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1,111.50700000000006
+9173,Modify the molecule Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2cccc3ccccc23)c(C)c1 to decrease its MR value.,Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2cccc3ccccc23)c(C)c1,119.85770000000002
+103048,Please modify the molecule COCCn1ccc2ccc(NC(=O)N3C[C@H]4CCC[NH+]4C[C@H]3C)cc21 to increase its MR value.,COCCn1ccc2ccc(NC(=O)N3C[C@H]4CCC[NH+]4C[C@H]3C)cc21,102.71940000000006
+239265,Modify the molecule CC(C)CN(C)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 to have a lower MR value.,CC(C)CN(C)C(=O)Nc1cccc(Cl)c1Oc1cccnc1,92.24970000000005
+202950,Modify the molecule COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCc3ccco3)nc2c1 to have a higher MR value.,COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCc3ccco3)nc2c1,115.00970000000002
+183054,Please optimize the molecule Cc1cc(N)n(-c2cc(NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)ncn2)[nH+]1 to have a higher MR value.,Cc1cc(N)n(-c2cc(NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)ncn2)[nH+]1,92.14280000000002
+199159,Modify the molecule C[C@@H](CCCO)NC(=O)NCc1ccc(Cl)cc1Cl to have a higher MR value.,C[C@@H](CCCO)NC(=O)NCc1ccc(Cl)cc1Cl,77.61520000000003
+143732,Please modify the molecule O=C([O-])[C@@H]1[C@H]2C[C@H](c3ccccc3)[C@H](O2)[C@@H]1C(=O)[O-] to decrease its MR value.,O=C([O-])[C@@H]1[C@H]2C[C@H](c3ccccc3)[C@H](O2)[C@@H]1C(=O)[O-],59.455000000000034
+192744,Modify the molecule O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)nc1 to decrease its MR value.,O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)nc1,88.12740000000002
+27147,Please optimize the molecule CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C#N)c1 to have a lower MR value.,CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C#N)c1,69.09420000000003
+130420,Please modify the molecule C[C@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2[nH]1 to decrease its MR value.,C[C@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2[nH]1,71.62540000000004
+164543,Modify the molecule N#Cc1nc(/C=C/c2cccc([N+](=O)[O-])c2)oc1N1CCN(C(=O)COc2ccccc2F)CC1 to have a lower MR value.,N#Cc1nc(/C=C/c2cccc([N+](=O)[O-])c2)oc1N1CCN(C(=O)COc2ccccc2F)CC1,123.93040000000003
+91080,Modify the molecule COC[C@H](C)NC(=O)Nc1ccc2nc(C)oc2c1 to decrease its MR value.,COC[C@H](C)NC(=O)Nc1ccc2nc(C)oc2c1,72.23840000000004
+170547,Please modify the molecule Cc1ccc2nc(CCl)n([C@H]3CCC(=O)N(C)C3)c2c1 to decrease its MR value.,Cc1ccc2nc(CCl)n([C@H]3CCC(=O)N(C)C3)c2c1,79.93500000000003
+143937,Modify the molecule Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 to decrease its MR value.,Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,113.52180000000004
+204776,Modify the molecule C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)C1=O to increase its MR value.,C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)C1=O,117.12270000000005
+151756,Modify the molecule C#CCNCC(=O)N1CCN(Cc2ccsc2)CC1 to have a lower MR value.,C#CCNCC(=O)N1CCN(Cc2ccsc2)CC1,77.87870000000004
+196903,Optimize the molecule CCc1ccc(N2C[C@H](C(=O)Nc3c(C)cc(C)nc3Cl)CC2=O)cc1 to have a higher MR value.,CCc1ccc(N2C[C@H](C(=O)Nc3c(C)cc(C)nc3Cl)CC2=O)cc1,103.63070000000003
+149650,Please optimize the molecule Cc1ccncc1NC(=O)N1CC=C(c2ccccc2Cl)CC1 to have a higher MR value.,Cc1ccncc1NC(=O)N1CC=C(c2ccccc2Cl)CC1,93.61170000000004
+58733,Optimize the molecule Cc1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1OC(=O)c2ccccc21 to have a lower MR value.,Cc1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1OC(=O)c2ccccc21,84.02620000000003
+187015,Please optimize the molecule Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1 to have a higher MR value.,Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1,120.3525
+179194,Please optimize the molecule CC(=O)c1ccnc(Oc2ccc(C#N)cc2)c1 to have a higher MR value.,CC(=O)c1ccnc(Oc2ccc(C#N)cc2)c1,65.47250000000003
+87021,Please modify the molecule O=C(NCCCn1cc[nH+]c1)c1cc(C2CC2)[nH]n1 to decrease its MR value.,O=C(NCCCn1cc[nH+]c1)c1cc(C2CC2)[nH]n1,68.50060000000002
+206317,Modify the molecule CCOc1ccc(C2=CCN(Cc3nncn3C)CC2)cc1 to have a lower MR value.,CCOc1ccc(C2=CCN(Cc3nncn3C)CC2)cc1,86.48500000000004
+24229,Modify the molecule CC(C)OC(=O)C[NH+]1CCC[C@@H]1c1cccc(N(C)C)c1 to decrease its MR value.,CC(C)OC(=O)C[NH+]1CCC[C@@H]1c1cccc(N(C)C)c1,84.66870000000006
+213499,Modify the molecule C[C@@H]1CN([C@@H]([C@@H](C)[NH3+])C(F)(F)F)C[C@@H]1C to have a higher MR value.,C[C@@H]1CN([C@@H]([C@@H](C)[NH3+])C(F)(F)F)C[C@@H]1C,52.09410000000003
+97781,Optimize the molecule CC(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)nc2C1 to have a lower MR value.,CC(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)nc2C1,106.90080000000005
+208374,Please modify the molecule C[C@H]1CN(C(C)(C)CNC(=O)CS(=O)(=O)C2CCCC2)C[C@H](C)O1 to increase its MR value.,C[C@H]1CN(C(C)(C)CNC(=O)CS(=O)(=O)C2CCCC2)C[C@H](C)O1,94.71350000000007
+202307,Please modify the molecule C[C@@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1N(C)C to decrease its MR value.,C[C@@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1N(C)C,102.90340000000006
+79858,Optimize the molecule COc1ccc2[nH]cc(C(C)=O)c(=O)c2c1 to have a lower MR value.,COc1ccc2[nH]cc(C(C)=O)c(=O)c2c1,61.125200000000014
+59674,Optimize the molecule Cc1ccc(-n2nnc(C(=O)N3CCC[NH+](C(C)C)CC3)c2C)cc1 to have a higher MR value.,Cc1ccc(-n2nnc(C(=O)N3CCC[NH+](C(C)C)CC3)c2C)cc1,97.18620000000004
+42863,Modify the molecule CC[C@@H](C)[NH2+][C@H]1C=C[C@@H](C(=O)[O-])C1 to increase its MR value.,CC[C@@H](C)[NH2+][C@H]1C=C[C@@H](C(=O)[O-])C1,47.72040000000002
+105090,Modify the molecule C[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)N(C)c1ccccc1 to have a lower MR value.,C[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)N(C)c1ccccc1,116.60410000000005
+114462,Please modify the molecule COc1ccccc1C(=O)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 to increase its MR value.,COc1ccccc1C(=O)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1,101.59690000000005
+147504,Please modify the molecule Cc1nc(CCNC(=O)C(=O)Nc2ccnn2C(C)(C)C)sc1C to decrease its MR value.,Cc1nc(CCNC(=O)C(=O)Nc2ccnn2C(C)(C)C)sc1C,94.15440000000004
+156815,Please optimize the molecule Cc1ccn2c(CN3CCOC4(CCOCC4)C3)cnc2c1 to have a higher MR value.,Cc1ccn2c(CN3CCOC4(CCOCC4)C3)cnc2c1,83.94200000000005
+649,Please optimize the molecule O=C(NCc1ccnc(OCC(F)F)c1)NCc1cscn1 to have a lower MR value.,O=C(NCc1ccnc(OCC(F)F)c1)NCc1cscn1,76.92540000000002
+203153,Please modify the molecule COc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1 to decrease its MR value.,COc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1,103.96550000000002
+146690,Please optimize the molecule CS(=O)(=O)Cc1cccc(NC(=O)c2cc(Br)c[nH]2)c1 to have a lower MR value.,CS(=O)(=O)Cc1cccc(NC(=O)c2cc(Br)c[nH]2)c1,81.43570000000001
+37155,Please optimize the molecule COc1ccc2cc(CNC(=O)/C=C/c3cnc4ccccc4n3)ccc2c1 to have a higher MR value.,COc1ccc2cc(CNC(=O)/C=C/c3cnc4ccccc4n3)ccc2c1,110.91870000000002
+10231,Modify the molecule CC(C)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc([N+](=O)[O-])cc1 to increase its MR value.,CC(C)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc([N+](=O)[O-])cc1,80.26710000000004
+119306,Modify the molecule C[C@H](C[NH+]1CCCCC1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 to have a lower MR value.,C[C@H](C[NH+]1CCCCC1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1,95.66720000000005
+4536,Modify the molecule COC(=O)CCOc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2C)cc1 to decrease its MR value.,COC(=O)CCOc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2C)cc1,92.15470000000006
+19784,Please modify the molecule NC(=O)c1ccc(C[NH+]2CCCC[C@H]2C2OCCO2)cc1 to decrease its MR value.,NC(=O)c1ccc(C[NH+]2CCCC[C@H]2C2OCCO2)cc1,77.82460000000005
+179229,Modify the molecule N#Cc1ccc(CS(=O)(=O)/N=C(\[O-])C2CC=CC2)cc1 to have a higher MR value.,N#Cc1ccc(CS(=O)(=O)/N=C(\[O-])C2CC=CC2)cc1,73.07980000000002
+200570,Please optimize the molecule CCCc1nc(C(=O)N2CCC[NH+]3CCC[C@@H]3C2)n[nH]1 to have a higher MR value.,CCCc1nc(C(=O)N2CCC[NH+]3CCC[C@@H]3C2)n[nH]1,74.61690000000004
+229257,Please modify the molecule CCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(CCO)CC1 to decrease its MR value.,CCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(CCO)CC1,93.98660000000005
+248081,Optimize the molecule CCOCCC(=O)N(C)[C@@H](C)c1ccncc1 to have a higher MR value.,CCOCCC(=O)N(C)[C@@H](C)c1ccncc1,66.53200000000004
+176734,Modify the molecule CCn1ccnc(N[C@H](C)CCC[NH3+])c1=O to increase its MR value.,CCn1ccnc(N[C@H](C)CCC[NH3+])c1=O,64.24480000000003
+43020,Optimize the molecule O=C([O-])/C=C\C(F)(C(F)(F)F)C(F)(F)F to have a higher MR value.,O=C([O-])/C=C\C(F)(C(F)(F)F)C(F)(F)F,30.096
+208245,Optimize the molecule COc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c(C(=O)[O-])c1OC to have a lower MR value.,COc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c(C(=O)[O-])c1OC,115.65200000000002
+214260,Modify the molecule Cc1nnc([C@H](C)N(C)OCc2ccccc2)o1 to have a lower MR value.,Cc1nnc([C@H](C)N(C)OCc2ccccc2)o1,66.44400000000003
+176652,Optimize the molecule O=C1C[C@@H]([C@H]2CCCCC2=[N+]2CCCCC2)C(=O)N1c1ccc(N2CCOCC2)cc1 to have a lower MR value.,O=C1C[C@@H]([C@H]2CCCCC2=[N+]2CCCCC2)C(=O)N1c1ccc(N2CCOCC2)cc1,120.88440000000006
+202759,Please modify the molecule O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1ccc(Cl)cc1 to decrease its MR value.,O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1ccc(Cl)cc1,100.0037
+110773,Please modify the molecule COc1ccc(CS[C@@H](C)C(C)=O)c(Cl)c1 to increase its MR value.,COc1ccc(CS[C@@H](C)C(C)=O)c(Cl)c1,69.44200000000004
+158548,Please modify the molecule Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(Cc1[nH+]ccn1C)C2 to increase its MR value.,Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(Cc1[nH+]ccn1C)C2,90.14470000000006
+87394,Modify the molecule N#Cc1c([O-])n(Cc2ccccc2)c2ccccc2c1=O to have a lower MR value.,N#Cc1c([O-])n(Cc2ccccc2)c2ccccc2c1=O,77.91300000000004
+143492,Modify the molecule Cc1cnc(C[NH+]2CCC[C@H](NC(=O)C(C)C)C2)o1 to have a higher MR value.,Cc1cnc(C[NH+]2CCC[C@H](NC(=O)C(C)C)C2)o1,71.64340000000004
+22144,Modify the molecule CC(C)c1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)c2ccccc2n1 to increase its MR value.,CC(C)c1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)c2ccccc2n1,106.04800000000004
+156515,Modify the molecule O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC[C@H]1CN1CCOCC1 to have a higher MR value.,O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC[C@H]1CN1CCOCC1,104.59200000000006
+151823,Modify the molecule CS(=O)(=O)CCSCc1cc(F)cc(/C=C/C(=O)[O-])c1 to increase its MR value.,CS(=O)(=O)CCSCc1cc(F)cc(/C=C/C(=O)[O-])c1,76.31380000000003
+34555,Please optimize the molecule CC[C@H](C)NC(=O)c1cc2ccc(OC(=O)c3ccccc3F)cc2oc1=O to have a higher MR value.,CC[C@H](C)NC(=O)c1cc2ccc(OC(=O)c3ccccc3F)cc2oc1=O,101.06170000000006
+192976,Please modify the molecule Cc1cnc2c(c1)nc(N)n2CCc1cc(F)cc(F)c1 to decrease its MR value.,Cc1cnc2c(c1)nc(N)n2CCc1cc(F)cc(F)c1,76.7394
+198725,Optimize the molecule CCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H]([NH+](C)C)C3)cn2)c1 to have a lower MR value.,CCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H]([NH+](C)C)C3)cn2)c1,111.14110000000004
+57154,Please modify the molecule CCc1nc2c(N3CCC[C@]4(CCC(=O)N(C(C)C)C4)C3)ncnc2o1 to increase its MR value.,CCc1nc2c(N3CCC[C@]4(CCC(=O)N(C(C)C)C4)C3)ncnc2o1,98.94000000000007
+105700,Optimize the molecule Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3CC(N)=O)CCC2=O)cc1C to have a higher MR value.,Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3CC(N)=O)CCC2=O)cc1C,104.15640000000005
+191104,Modify the molecule CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)c1ccc2c(c1)OCCO2 to decrease its MR value.,CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)c1ccc2c(c1)OCCO2,111.26270000000005
+27115,Please optimize the molecule C[NH2+][C@]1(CO)CC[C@@H](Oc2cc(C(C)C)ccc2C)C1 to have a lower MR value.,C[NH2+][C@]1(CO)CC[C@@H](Oc2cc(C(C)C)ccc2C)C1,81.20120000000006
+197881,Modify the molecule CO[C@H]1CCC[C@H](OCCC2OCCCO2)C1 to decrease its MR value.,CO[C@H]1CCC[C@H](OCCC2OCCCO2)C1,63.931000000000054
+113364,Optimize the molecule Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])Cn2ccc3ccccc32)s1 to have a lower MR value.,Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])Cn2ccc3ccccc32)s1,88.14680000000004
+67242,Optimize the molecule CC[C@@H](C)N(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 to have a lower MR value.,CC[C@@H](C)N(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1,90.02840000000006
+55572,Modify the molecule C=CCNC(=S)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 to increase its MR value.,C=CCNC(=S)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1,116.08670000000006
+128231,Modify the molecule O=C(CCC1=c2ccccc2=[NH+]C1)N1CCN(CCOc2ccccc2)CC1 to have a higher MR value.,O=C(CCC1=c2ccccc2=[NH+]C1)N1CCN(CCOc2ccccc2)CC1,108.22370000000005
+241706,Modify the molecule Cn1cc(C(=O)[C@H]2CCO[C@@]3(CCOC3)C2)cn1 to decrease its MR value.,Cn1cc(C(=O)[C@H]2CCO[C@@]3(CCOC3)C2)cn1,64.38150000000003
+12992,Modify the molecule CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1 to increase its MR value.,CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1,82.77550000000004
+147129,Modify the molecule CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)NCCc4ccccc4)c(=O)c23)C1 to increase its MR value.,CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)NCCc4ccccc4)c(=O)c23)C1,119.80070000000005
+157381,Modify the molecule C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1csc(COc2ccc(F)cc2)n1 to have a higher MR value.,C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1csc(COc2ccc(F)cc2)n1,111.48540000000003
+14112,Optimize the molecule Cc1cc([C@H]([NH3+])C(=O)[O-])ccc1F to have a higher MR value.,Cc1cc([C@H]([NH3+])C(=O)[O-])ccc1F,41.773100000000014
+185792,Please modify the molecule CC1CCC(N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)CC1 to increase its MR value.,CC1CCC(N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)CC1,90.49470000000005
+228287,Modify the molecule CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccc(C)c1C to have a lower MR value.,CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccc(C)c1C,83.35240000000003
+197529,Please modify the molecule C[NH2+]CCCc1n[nH]c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)c1C#N to increase its MR value.,C[NH2+]CCCc1n[nH]c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)c1C#N,90.21780000000003
+220259,Please optimize the molecule CC[C@H](C(=O)[O-])/C(=N\N=c1\[nH]c2ccccc2s1)C(F)(F)F to have a lower MR value.,CC[C@H](C(=O)[O-])/C(=N\N=c1\[nH]c2ccccc2s1)C(F)(F)F,74.01670000000001
+199696,Modify the molecule CCONC(=O)c1sc(C(C)(C)c2ccccc2)nc1C to decrease its MR value.,CCONC(=O)c1sc(C(C)(C)c2ccccc2)nc1C,84.51320000000004
+205485,Please modify the molecule CC[NH2+]Cc1cc(CN2CC[NH+]3CCC[C@@H]3C2)c(C)o1 to increase its MR value.,CC[NH2+]Cc1cc(CN2CC[NH+]3CCC[C@@H]3C2)c(C)o1,78.61110000000004
+40094,Modify the molecule CCCN1CCN(C(=O)c2cncn2CC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O to have a lower MR value.,CCCN1CCN(C(=O)c2cncn2CC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O,129.74750000000003
+68023,Please optimize the molecule CNC(=O)c1cccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1 to have a higher MR value.,CNC(=O)c1cccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1,98.73770000000005
+46874,Modify the molecule O=c1c(-c2cccc(Cl)c2)[n+]([O-])c2ccccc2n1OCc1cccc(F)c1 to decrease its MR value.,O=c1c(-c2cccc(Cl)c2)[n+]([O-])c2ccccc2n1OCc1cccc(F)c1,104.29800000000003
+90365,Modify the molecule CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1ccccc1Cl to have a lower MR value.,CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1ccccc1Cl,86.27670000000005
+143992,Modify the molecule Cc1cccc(NC(=O)CSCC(=O)N2C[C@@H](C)S[C@H](C)C2)c1 to increase its MR value.,Cc1cccc(NC(=O)CSCC(=O)N2C[C@@H](C)S[C@H](C)C2)c1,100.22870000000005
+54419,Optimize the molecule O=C(C[C@H]1CCCO1)NCc1cccc(C(=O)Nc2ccccc2)c1 to have a lower MR value.,O=C(C[C@H]1CCCO1)NCc1cccc(C(=O)Nc2ccccc2)c1,96.27490000000003
+81681,Optimize the molecule CCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O to have a higher MR value.,CCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O,79.41470000000005
+177856,Please optimize the molecule O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](O)c1c(F)cccc1F to have a lower MR value.,O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](O)c1c(F)cccc1F,82.91890000000002
+35025,Modify the molecule CCC[NH+](C[C@H](N)c1ccc(OC)cc1)C1CC1 to have a lower MR value.,CCC[NH+](C[C@H](N)c1ccc(OC)cc1)C1CC1,73.93210000000005
+28574,Please modify the molecule CC(C)(C)C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 to increase its MR value.,CC(C)(C)C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1,84.10370000000006
+51353,Optimize the molecule Cn1c(C(=O)Nc2ccccc2Br)cc2c(F)cccc21 to have a lower MR value.,Cn1c(C(=O)Nc2ccccc2Br)cc2c(F)cccc21,84.97220000000003
+187029,Please modify the molecule CCCOc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 to increase its MR value.,CCCOc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1,100.00620000000005
+134337,Modify the molecule COC(=O)C[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C1CC1 to decrease its MR value.,COC(=O)C[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C1CC1,102.28070000000005
+174256,Modify the molecule CC[NH+]1CCN(c2ncnc(Nc3ccc(F)c(Cl)c3)c2N)CC1 to have a lower MR value.,CC[NH+]1CCN(c2ncnc(Nc3ccc(F)c(Cl)c3)c2N)CC1,94.58780000000003
+87888,Please modify the molecule O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccccc1Cl to increase its MR value.,O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccccc1Cl,85.38920000000003
+172181,Modify the molecule CSCC[C@@H](CO)n1cc[nH+]c1-c1ccccc1C(=O)[O-] to have a higher MR value.,CSCC[C@@H](CO)n1cc[nH+]c1-c1ccccc1C(=O)[O-],79.87600000000003
+13525,Please modify the molecule COC(=O)c1nccc(N2CC[C@H](C(=O)OC)C2)n1 to decrease its MR value.,COC(=O)c1nccc(N2CC[C@H](C(=O)OC)C2)n1,65.70750000000002
+24354,Optimize the molecule CC[C@H](C)C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 to have a lower MR value.,CC[C@H](C)C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1,76.37600000000005
+8582,Please optimize the molecule CC[NH+]1CC[C@@H](N(C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1 to have a higher MR value.,CC[NH+]1CC[C@@H](N(C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](C)C1,98.57440000000005
+10346,Optimize the molecule Cc1ccc(NC(=O)N2CCN(C(=O)CCC(C)C)CC2)c(C)c1 to have a lower MR value.,Cc1ccc(NC(=O)N2CCN(C(=O)CCC(C)C)CC2)c(C)c1,97.15970000000004
+45424,Please modify the molecule C[C@@H]1c2ccsc2CCN1C(=O)CC[C@@H]1NC(=O)NC1=O to increase its MR value.,C[C@@H]1c2ccsc2CCN1C(=O)CC[C@@H]1NC(=O)NC1=O,77.84740000000002
+4311,Please modify the molecule CC(C)[NH2+]CC1CC[NH+](CCSc2ccccc2)CC1 to increase its MR value.,CC(C)[NH2+]CC1CC[NH+](CCSc2ccccc2)CC1,87.38210000000007
+173544,Please optimize the molecule CCn1c(CNC(=O)[C@H]2CCCO2)nnc1SC to have a lower MR value.,CCn1c(CNC(=O)[C@H]2CCCO2)nnc1SC,68.29770000000003
+37186,Modify the molecule C[C@@H](NC(=O)C1C(C)(C)C1(C)C)[C@@H](C)N1CCOCC1 to have a higher MR value.,C[C@@H](NC(=O)C1C(C)(C)C1(C)C)[C@@H](C)N1CCOCC1,80.51070000000006
+241452,Please optimize the molecule CN(CC(F)(F)F)C(=O)CNC(=O)NCc1csc(N(C)C)n1 to have a higher MR value.,CN(CC(F)(F)F)C(=O)CNC(=O)NCc1csc(N(C)C)n1,80.37140000000004
+248543,Optimize the molecule COc1cccc(-c2noc(NC[C@H](O)c3ccccc3Cl)n2)c1 to have a higher MR value.,COc1cccc(-c2noc(NC[C@H](O)c3ccccc3Cl)n2)c1,91.18750000000001
+130605,Please optimize the molecule CCC[NH+]1Cc2cccc(NC(=O)COc3cccc(C(C)=O)c3)c2C1 to have a lower MR value.,CCC[NH+]1Cc2cccc(NC(=O)COc3cccc(C(C)=O)c3)c2C1,100.54190000000006
+61449,Modify the molecule CC(C)(CCc1ccc(Cl)c2ccccc12)C(=O)[O-] to decrease its MR value.,CC(C)(CCc1ccc(Cl)c2ccccc12)C(=O)[O-],76.06700000000004
+220292,Please optimize the molecule CCc1cc2oc(=O)cc(CN(C)C3CC[NH+](CC)CC3)c2cc1Cl to have a higher MR value.,CCc1cc2oc(=O)cc(CN(C)C3CC[NH+](CC)CC3)c2cc1Cl,102.59870000000005
+57761,Modify the molecule CN(CC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])C(=O)c1cccs1 to have a lower MR value.,CN(CC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])C(=O)c1cccs1,72.41130000000003
+179648,Please modify the molecule Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)[O-])c1)C2=O to decrease its MR value.,Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)[O-])c1)C2=O,88.39250000000004
+39054,Please optimize the molecule CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N=c1[nH]c2ccccc2[nH]1 to have a lower MR value.,CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N=c1[nH]c2ccccc2[nH]1,102.8268
+79780,Please modify the molecule NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-n2ccnn2)cc1 to decrease its MR value.,NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-n2ccnn2)cc1,91.73590000000002
+196042,Modify the molecule CC(C)(C)N(CC(=O)[O-])C(=O)C1C[NH2+]C1 to have a higher MR value.,CC(C)(C)N(CC(=O)[O-])C(=O)C1C[NH2+]C1,51.62240000000003
+39474,Modify the molecule C=CCN1C(=O)N=C(N)[C@]12CCS(=O)(=O)C2 to decrease its MR value.,C=CCN1C(=O)N=C(N)[C@]12CCS(=O)(=O)C2,59.92320000000002
+46839,Modify the molecule O=C(C1CCC1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 to decrease its MR value.,O=C(C1CCC1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1,87.42570000000003
+3286,Optimize the molecule C[NH2+][C@@H](C)c1cc(F)c(C)cc1Sc1nccs1 to have a higher MR value.,C[NH2+][C@@H](C)c1cc(F)c(C)cc1Sc1nccs1,73.63840000000003
+10470,Modify the molecule COc1cc(/C=N\NC(=O)C(=O)Nc2cccc3ccccc23)cc(OC)c1OC to decrease its MR value.,COc1cc(/C=N\NC(=O)C(=O)Nc2cccc3ccccc23)cc(OC)c1OC,114.41240000000002
+248582,Please modify the molecule C=C[C@@H](CC(=O)Nc1ccccc1-n1cnnn1)c1ccccc1 to increase its MR value.,C=C[C@@H](CC(=O)Nc1ccccc1-n1cnnn1)c1ccccc1,91.78070000000002
+155429,Optimize the molecule CCc1nn(C)cc1Nc1ccc(Cl)c(C#N)n1 to have a lower MR value.,CCc1nn(C)cc1Nc1ccc(Cl)c(C#N)n1,69.83070000000002
+123722,Optimize the molecule O=C(NOC1CCCC1)Nc1nc(-c2cccnc2)cs1 to have a lower MR value.,O=C(NOC1CCCC1)Nc1nc(-c2cccnc2)cs1,80.84040000000002
+79398,Optimize the molecule C[C@H]1CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)Cc2ccc(Cl)cc2)[C@@H]1C to have a higher MR value.,C[C@H]1CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)Cc2ccc(Cl)cc2)[C@@H]1C,97.64750000000005
+196477,Please modify the molecule O=C(c1ccccc1Cl)N(Cc1ccccc1F)C[C@H]1CCCO1 to increase its MR value.,O=C(c1ccccc1Cl)N(Cc1ccccc1F)C[C@H]1CCCO1,91.56650000000003
+128545,Optimize the molecule Cc1cnc(C[NH+](C)[C@H](C)c2ccc(F)c(F)c2)o1 to have a lower MR value.,Cc1cnc(C[NH+](C)[C@H](C)c2ccc(F)c(F)c2)o1,66.60370000000002
+121983,Modify the molecule CCc1ccc(N2C[C@@H](C(=O)N(CC)c3cccnc3)CC2=O)cc1 to have a lower MR value.,CCc1ccc(N2C[C@@H](C(=O)N(CC)c3cccnc3)CC2=O)cc1,98.54400000000004
+137999,Please modify the molecule O=C(NCCC(=O)N1CCCCCC1)c1ncccc1C(F)(F)F to increase its MR value.,O=C(NCCC(=O)N1CCCCCC1)c1ncccc1C(F)(F)F,81.23720000000003
+206551,Modify the molecule O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 to have a higher MR value.,O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1,112.86120000000004
+195792,Modify the molecule C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 to increase its MR value.,C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1,102.95940000000006
+115816,Please modify the molecule O=C(NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S)c1ccccc1 to decrease its MR value.,O=C(NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S)c1ccccc1,112.8682
+158066,Please modify the molecule Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cnc3[nH]nc(C)c3c2)c1 to increase its MR value.,Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cnc3[nH]nc(C)c3c2)c1,94.26520000000002
+155233,Please modify the molecule CONC[C@H]1COc2ccccc21 to decrease its MR value.,CONC[C@H]1COc2ccccc21,49.68970000000003
+228923,Modify the molecule Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(C)c(C)ccc3s2)cc1 to have a lower MR value.,Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(C)c(C)ccc3s2)cc1,110.18950000000002
+248380,Modify the molecule CCn1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)Nc1cnn(C)c1C to increase its MR value.,CCn1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)Nc1cnn(C)c1C,102.88390000000004
+72217,Please optimize the molecule COc1ccc(OC(=O)c2cccnc2OCC(F)F)cc1 to have a higher MR value.,COc1ccc(OC(=O)c2cccnc2OCC(F)F)cc1,73.68850000000003
+89688,Optimize the molecule CN(C)c1ccc(/C=N\NC(=O)CSc2ccccn2)cc1 to have a higher MR value.,CN(C)c1ccc(/C=N\NC(=O)CSc2ccccn2)cc1,91.46670000000003
+45867,Please modify the molecule COc1cccc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)c1 to increase its MR value.,COc1cccc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)c1,88.57050000000004
+170588,Optimize the molecule C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C[C@H]1O to have a higher MR value.,C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C[C@H]1O,78.65980000000003
+240463,Modify the molecule C[C@H](NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)c1cccc(C#N)c1 to decrease its MR value.,C[C@H](NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)c1cccc(C#N)c1,95.55840000000005
+106538,Please modify the molecule Cc1ccc(N2C[C@H](C(=O)NCCCN3CCCC3=O)CC2=O)cc1 to decrease its MR value.,Cc1ccc(N2C[C@H](C(=O)NCCCN3CCCC3=O)CC2=O)cc1,95.07970000000005
+202545,Please modify the molecule O=C(NCC1(c2ccccc2)CC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 to decrease its MR value.,O=C(NCC1(c2ccccc2)CC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1,111.55540000000005
+85617,Modify the molecule O=C(CCCCO)N(Cc1ccccc1)C1CC1 to decrease its MR value.,O=C(CCCCO)N(Cc1ccccc1)C1CC1,70.95080000000004
+50585,Please optimize the molecule Cc1cccc(N2CCN(C(=O)c3ccc(-n4ccc(C)n4)nc3)CC2)c1 to have a higher MR value.,Cc1cccc(N2CCN(C(=O)c3ccc(-n4ccc(C)n4)nc3)CC2)c1,105.39150000000004
+226166,Please optimize the molecule C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 to have a lower MR value.,C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1,101.47630000000002
+65781,Modify the molecule O=C(Nc1nc2c(s1)CN(C(=O)COc1ccccc1F)CC2)c1ccco1 to have a higher MR value.,O=C(Nc1nc2c(s1)CN(C(=O)COc1ccccc1F)CC2)c1ccco1,99.7912
+12642,Please modify the molecule Cc1ccc([C@@H]2C[C@H](C)CC[NH+]2Cc2ccc(C(=O)N(C)C)[nH]2)o1 to increase its MR value.,Cc1ccc([C@@H]2C[C@H](C)CC[NH+]2Cc2ccc(C(=O)N(C)C)[nH]2)o1,92.92790000000005
+146626,Please modify the molecule NC(=O)c1ccccc1O[C@H](NC(=O)c1cccc(Cl)c1)C(Cl)(Cl)Cl to decrease its MR value.,NC(=O)c1ccccc1O[C@H](NC(=O)c1cccc(Cl)c1)C(Cl)(Cl)Cl,98.58409999999999
+220951,Modify the molecule [NH3+][C@H]1CCC[C@@H]([NH2+]CCOCC(F)(F)F)C1 to have a higher MR value.,[NH3+][C@H]1CCC[C@@H]([NH2+]CCOCC(F)(F)F)C1,52.59850000000003
+201923,Please modify the molecule CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S to decrease its MR value.,CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S,78.41700000000003
+1135,Please optimize the molecule Cc1ccc(Oc2cccc(C(=O)Nc3nccs3)c2)nn1 to have a lower MR value.,Cc1ccc(Oc2cccc(C(=O)Nc3nccs3)c2)nn1,83.35220000000002
+178581,Modify the molecule O=C1CCCN1CC[C@H]1CCCCN1C(=O)NCCc1ccccc1F to decrease its MR value.,O=C1CCCN1CC[C@H]1CCCCN1C(=O)NCCc1ccccc1F,98.27870000000007
+105101,Please optimize the molecule C[C@@H](CO)[C@@H](C)NC(=O)NCCNC(=O)C1CC1 to have a lower MR value.,C[C@@H](CO)[C@@H](C)NC(=O)NCCNC(=O)C1CC1,67.97990000000003
+42766,Please modify the molecule C[NH+](C)CC(=O)NNC(=O)c1occc1-c1ccccc1 to decrease its MR value.,C[NH+](C)CC(=O)NNC(=O)c1occc1-c1ccccc1,77.43060000000003
+110437,Modify the molecule Cc1ccc(-c2nnco2)cc1NC(=O)COc1ccc(I)cc1 to decrease its MR value.,Cc1ccc(-c2nnco2)cc1NC(=O)COc1ccc(I)cc1,97.75470000000001
+127497,Please optimize the molecule COc1cc(CNC(=O)Nc2ccc(C(C)=O)c(C)c2)ccn1 to have a lower MR value.,COc1cc(CNC(=O)Nc2ccc(C(C)=O)c(C)c2)ccn1,87.83090000000003
+166693,Please optimize the molecule COC(=O)[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 to have a higher MR value.,COC(=O)[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1,99.54950000000002
+120812,Modify the molecule O=C(c1cccc(-c2nc3ccccc3o2)c1)N1CCCC1 to decrease its MR value.,O=C(c1cccc(-c2nc3ccccc3o2)c1)N1CCCC1,84.58250000000005
+117642,Please modify the molecule CO/C([O-])=C1/C(C)=NC(=S)N[C@H]1c1cnc(-c2ccccn2)s1 to increase its MR value.,CO/C([O-])=C1/C(C)=NC(=S)N[C@H]1c1cnc(-c2ccccn2)s1,90.96370000000002
+118435,Please modify the molecule COc1ccc(C2(CNS(=O)(=O)c3cnn(C)c3)CCCCC2)cc1 to decrease its MR value.,COc1ccc(C2(CNS(=O)(=O)c3cnn(C)c3)CCCCC2)cc1,96.15350000000005
+126256,Modify the molecule COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C2CC2)on1 to have a lower MR value.,COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C2CC2)on1,84.30150000000003
+191036,Optimize the molecule CCn1/c(=N/C(=O)[C@@H](C)COC)[nH]c2cc(Cl)ccc21 to have a higher MR value.,CCn1/c(=N/C(=O)[C@@H](C)COC)[nH]c2cc(Cl)ccc21,78.58270000000003
+191755,Please modify the molecule COc1ccc(C2=C[C@@H](C(=O)N3CCC[C@@H](C)C3)N=N2)cc1 to decrease its MR value.,COc1ccc(C2=C[C@@H](C(=O)N3CCC[C@@H](C)C3)N=N2)cc1,84.59300000000003
+229338,Please modify the molecule CCS(=O)(=O)CCN(C)C(=O)c1ccc(C)c(C)c1O to increase its MR value.,CCS(=O)(=O)CCN(C)C(=O)c1ccc(C)c(C)c1O,78.86910000000003
+197867,Optimize the molecule CNC(=O)c1cc(OC)cs1 to have a lower MR value.,CNC(=O)c1cc(OC)cs1,44.26120000000002
+244813,Modify the molecule CC(C)[C@H](C)SCC(=O)Nc1cccc(F)c1 to have a higher MR value.,CC(C)[C@H](C)SCC(=O)Nc1cccc(F)c1,71.78770000000003
+123652,Modify the molecule C[C@@H](CC[NH+](C)C)NC(=O)CCN1c2ccccc2CC[C@H]1C to have a higher MR value.,C[C@@H](CC[NH+](C)C)NC(=O)CCN1c2ccccc2CC[C@H]1C,96.08740000000006
+122534,Optimize the molecule C[C@@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@@H](C)O1 to have a higher MR value.,C[C@@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@@H](C)O1,71.71930000000003
+244052,Please modify the molecule O=C(c1ccc([N+](=O)[O-])o1)N(C[C@@H]1CCCO1)c1nc2ccc(Br)cc2s1 to decrease its MR value.,O=C(c1ccc([N+](=O)[O-])o1)N(C[C@@H]1CCCO1)c1nc2ccc(Br)cc2s1,103.33290000000005
+88624,Optimize the molecule COc1ccc(CNC(=O)CN2C(=O)N(c3cccc(Cl)c3)S(=O)(=O)c3ccccc32)cc1 to have a higher MR value.,COc1ccc(CNC(=O)CN2C(=O)N(c3cccc(Cl)c3)S(=O)(=O)c3ccccc32)cc1,125.14150000000001
+79019,Modify the molecule Cc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)Cc2cccs2)cc1 to increase its MR value.,Cc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)Cc2cccs2)cc1,93.37370000000004
+179326,Please modify the molecule CCc1ccc([C@@]2(O)CCSC2)cc1 to decrease its MR value.,CCc1ccc([C@@]2(O)CCSC2)cc1,61.658800000000035
+129555,Modify the molecule Cc1ccc(C2=CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 to decrease its MR value.,Cc1ccc(C2=CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1,87.11380000000004
+131548,Modify the molecule COC(=O)c1c(NC(=O)c2cc(C)n(C)n2)sc2c1CC(C)(C)[NH2+]C2(C)C to decrease its MR value.,COC(=O)c1c(NC(=O)c2cc(C)n(C)n2)sc2c1CC(C)(C)[NH2+]C2(C)C,104.29110000000003
+6319,Modify the molecule N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1Cl to increase its MR value.,N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1Cl,98.84439999999998
+154691,Please optimize the molecule COc1ccc(OCCCN2C(=O)C3(OCCCO3)c3ccc(Cl)c(Cl)c32)cc1 to have a higher MR value.,COc1ccc(OCCCN2C(=O)C3(OCCCO3)c3ccc(Cl)c(Cl)c32)cc1,110.12000000000002
+52610,Modify the molecule [NH3+][C@@H](CC1=C[C@H](S)c2ccccc2C1)C(=O)[O-] to increase its MR value.,[NH3+][C@@H](CC1=C[C@H](S)c2ccccc2C1)C(=O)[O-],66.25610000000002
+30783,Modify the molecule Cc1ccc(N2CC[C@H](Nc3cccc(-c4nnnn4C)c3)C2=O)cc1 to increase its MR value.,Cc1ccc(N2CC[C@H](Nc3cccc(-c4nnnn4C)c3)C2=O)cc1,99.79370000000003
+191754,Optimize the molecule CC(C)[C@@H](CO)NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 to have a higher MR value.,CC(C)[C@@H](CO)NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1,85.88720000000004
+185341,Please optimize the molecule CC(C)N(C)C(=O)C1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 to have a lower MR value.,CC(C)N(C)C(=O)C1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1,94.29570000000005
+192717,Modify the molecule CSc1ccccc1[C@H]([NH3+])Cc1ccc2ccccc2c1 to decrease its MR value.,CSc1ccccc1[C@H]([NH3+])Cc1ccc2ccccc2c1,91.50410000000004
+113390,Please optimize the molecule Cc1cccc(C)c1OCCNC(=O)Nc1ccc([S@](C)=O)cc1 to have a lower MR value.,Cc1cccc(C)c1OCCNC(=O)Nc1ccc([S@](C)=O)cc1,97.20680000000004
+84264,Modify the molecule C[NH2+][C@@H](Cc1ncccc1C)c1cccc(Br)c1C to increase its MR value.,C[NH2+][C@@H](Cc1ncccc1C)c1cccc(Br)c1C,82.14740000000003
+132542,Please optimize the molecule O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)Nc1ccccc1Cl to have a higher MR value.,O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)Nc1ccccc1Cl,110.3017
+117497,Modify the molecule CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 to decrease its MR value.,CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21,96.25530000000003
+167098,Please modify the molecule C[C@@H](NC(=O)CCC1CCCCC1)c1ccc(S(N)(=O)=O)cc1 to decrease its MR value.,C[C@@H](NC(=O)CCC1CCCCC1)c1ccc(S(N)(=O)=O)cc1,90.18190000000006
+103449,Please modify the molecule c1ccc(-c2nnn3c2nc(N2CCN(c4ncccn4)CC2)c2ccccc23)cc1 to decrease its MR value.,c1ccc(-c2nnn3c2nc(N2CCN(c4ncccn4)CC2)c2ccccc23)cc1,120.18200000000003
+67695,Please modify the molecule CC1(C)C(=O)N(C[C@@H]2CO2)C(=O)N1C[C@H]1CO1 to decrease its MR value.,CC1(C)C(=O)N(C[C@@H]2CO2)C(=O)N1C[C@H]1CO1,57.37400000000004
+194725,Please modify the molecule CCCC[C@@H](C)NC(=O)c1ccc(C)cc1NN to increase its MR value.,CCCC[C@@H](C)NC(=O)c1ccc(C)cc1NN,75.44230000000003
+157641,Optimize the molecule CC1=C(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2C)SCCO1 to have a higher MR value.,CC1=C(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2C)SCCO1,102.70690000000005
+95661,Optimize the molecule CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)cc2)NC(=O)N1 to have a lower MR value.,CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)cc2)NC(=O)N1,98.09610000000005
+101732,Modify the molecule C[C@H]1Cc2cc([C@@H](Cl)C3(C)CCCC3)ccc2O1 to increase its MR value.,C[C@H]1Cc2cc([C@@H](Cl)C3(C)CCCC3)ccc2O1,75.40500000000004
+244774,Optimize the molecule Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1 to have a lower MR value.,Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1,114.79950000000002
+69149,Modify the molecule CC[C@]1(c2ccccc2)NC(=O)N(CN2CCSCC2)C1=O to have a lower MR value.,CC[C@]1(c2ccccc2)NC(=O)N(CN2CCSCC2)C1=O,87.55370000000005
+14496,Optimize the molecule C[C@@H](CNC(=O)c1ccc(N2CCCC2)nc1)Sc1ccccc1 to have a higher MR value.,C[C@@H](CNC(=O)c1ccc(N2CCCC2)nc1)Sc1ccccc1,99.77820000000004
+34037,Please modify the molecule C[C@@H]1CN(C2CCC(C(C)(C)C)CC2)C[C@H](C(N)=O)O1 to decrease its MR value.,C[C@@H]1CN(C2CCC(C(C)(C)C)CC2)C[C@H](C(N)=O)O1,80.30340000000005
+87473,Modify the molecule Cc1cc(C)cc(N(C)CC2(CO)COC2)c1 to decrease its MR value.,Cc1cc(C)cc(N(C)CC2(CO)COC2)c1,69.52380000000005
+238053,Optimize the molecule C[NH2+][C@H](c1ccc(Br)o1)[C@@H]1CCCCO1 to have a higher MR value.,C[NH2+][C@H](c1ccc(Br)o1)[C@@H]1CCCCO1,60.58940000000003
+216948,Please modify the molecule O=C(N[C@@H](CO)c1ccco1)[C@H]1CCCN(C(=O)COc2ccccc2)C1 to increase its MR value.,O=C(N[C@@H](CO)c1ccco1)[C@H]1CCCN(C(=O)COc2ccccc2)C1,97.91850000000004
+212537,Modify the molecule Fc1c([C@@H](Br)Cc2ccccn2)cccc1C(F)(F)F to decrease its MR value.,Fc1c([C@@H](Br)Cc2ccccn2)cccc1C(F)(F)F,71.01100000000001
+132810,Please optimize the molecule C[C@@H](CCN1CCOCC1)N[C@@H]1CC(C)(C)Oc2ccccc21 to have a lower MR value.,C[C@@H](CCN1CCOCC1)N[C@@H]1CC(C)(C)Oc2ccccc21,92.98070000000007
+193444,Please modify the molecule CN(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)COc2ccccc21 to increase its MR value.,CN(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)COc2ccccc21,96.83300000000004
+216897,Please optimize the molecule CCn1ncc(C(=O)N2CCC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c1C to have a lower MR value.,CCn1ncc(C(=O)N2CCC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c1C,104.64230000000003
+36521,Modify the molecule Cc1ccc(C[C@H]([NH3+])C2(CC(C)C)CCCC2)nc1 to decrease its MR value.,Cc1ccc(C[C@H]([NH3+])C2(CC(C)C)CCCC2)nc1,79.71010000000004
+219067,Please modify the molecule CCn1nnc2cc(C(=O)N[C@H](CC(=O)OC)C3CC3)ccc21 to decrease its MR value.,CCn1nnc2cc(C(=O)N[C@H](CC(=O)OC)C3CC3)ccc21,83.81320000000004
+169156,Optimize the molecule N#Cc1cccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1 to have a lower MR value.,N#Cc1cccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1,103.23140000000004
+4367,Modify the molecule O=C(NCCCO[C@@H]1CCOC1)N[C@H]1C[C@@H]2CCCc3cccc1c32 to increase its MR value.,O=C(NCCCO[C@@H]1CCOC1)N[C@H]1C[C@@H]2CCCc3cccc1c32,95.80640000000005
+168205,Optimize the molecule C[C@H]1CCc2c(sc(NC(=O)c3ccc(C(F)(F)F)cc3)c2C#N)C1 to have a higher MR value.,C[C@H]1CCc2c(sc(NC(=O)c3ccc(C(F)(F)F)cc3)c2C#N)C1,89.62020000000003
+207040,Optimize the molecule Cc1ccccc1Nc1c(-c2ccncc2)nc2ccc(Cl)cn12 to have a higher MR value.,Cc1ccccc1Nc1c(-c2ccncc2)nc2ccc(Cl)cn12,97.89470000000003
+149836,Please modify the molecule CC1=CC(C)=NC(=O)[C@H]1CNC(=O)c1oc2ccccc2c1CS[C@H]1N=C(C)CS1 to decrease its MR value.,CC1=CC(C)=NC(=O)[C@H]1CNC(=O)c1oc2ccccc2c1CS[C@H]1N=C(C)CS1,124.56020000000004
+106358,Modify the molecule COc1ccc(Cl)cc1C(=O)N1C[C@H]2CC[C@@H]1C[NH+](Cc1ccncc1)C2 to increase its MR value.,COc1ccc(Cl)cc1C(=O)N1C[C@H]2CC[C@@H]1C[NH+](Cc1ccncc1)C2,104.19020000000003
+58629,Please optimize the molecule COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F to have a lower MR value.,COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F,109.09660000000005
+239617,Optimize the molecule COc1ccc([C@H](Nc2snc(Cl)c2C#N)c2ccc(F)cc2)cc1 to have a lower MR value.,COc1ccc([C@H](Nc2snc(Cl)c2C#N)c2ccc(F)cc2)cc1,96.69870000000002
+28014,Modify the molecule CC/C(=C\c1c[nH]c2ncccc12)C[NH2+]C(C)C to increase its MR value.,CC/C(=C\c1c[nH]c2ncccc12)C[NH2+]C(C)C,76.29010000000004
+162165,Please optimize the molecule C[C@@H]1C[C@@H]([NH+](CCO)CCCO)CC(C)(C)C1 to have a lower MR value.,C[C@@H]1C[C@@H]([NH+](CCO)CCCO)CC(C)(C)C1,70.06930000000006
+49529,Modify the molecule O=C(C[C@H]1CSc2nccc(=O)n21)NCc1cc(-c2ccc(Cl)cc2)on1 to increase its MR value.,O=C(C[C@H]1CSc2nccc(=O)n21)NCc1cc(-c2ccc(Cl)cc2)on1,101.6707
+31130,Modify the molecule COc1ccc(CCNC(=O)[C@H]2CCC(=O)N2)c(Cl)c1 to have a lower MR value.,COc1ccc(CCNC(=O)[C@H]2CCC(=O)N2)c(Cl)c1,75.88240000000003
+154307,Optimize the molecule Cc1nc(C)n(Cc2cccc(NC(=O)Nc3nc(C(C)C)nn3C)c2)n1 to have a higher MR value.,Cc1nc(C)n(Cc2cccc(NC(=O)Nc3nc(C(C)C)nn3C)c2)n1,102.77340000000004
+114194,Modify the molecule Cc1ccc(C(=O)N2CCO[C@H](COc3ccccc3F)C2)cc1 to have a lower MR value.,Cc1ccc(C(=O)N2CCO[C@H](COc3ccccc3F)C2)cc1,88.71750000000004
+112205,Modify the molecule COc1ccccc1Cn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 to increase its MR value.,COc1ccccc1Cn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21,123.43620000000003
+924,Please modify the molecule O=C(COc1ccc(Br)cc1)NOCc1ccccc1 to increase its MR value.,O=C(COc1ccc(Br)cc1)NOCc1ccccc1,79.01070000000003
+36083,Optimize the molecule CNc1ncnc(NCc2ccc(C)cc2)c1[N+](=O)[O-] to have a higher MR value.,CNc1ncnc(NCc2ccc(C)cc2)c1[N+](=O)[O-],76.73880000000001
+224229,Optimize the molecule Cc1ccc(/C=C/CC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 to have a lower MR value.,Cc1ccc(/C=C/CC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1,104.42370000000003
+63447,Please modify the molecule O=C1CCN(C(=O)c2cc(F)cc(F)c2)CCN1 to decrease its MR value.,O=C1CCN(C(=O)c2cc(F)cc(F)c2)CCN1,59.888200000000026
+16325,Modify the molecule C[C@@H]1Cc2ccccc2N1CCC(=O)N(C)CCC(N)=S to have a lower MR value.,C[C@@H]1Cc2ccccc2N1CCC(=O)N(C)CCC(N)=S,90.61040000000004
+102562,Please modify the molecule CCc1ccc(-c2nc(CS(=O)(=O)c3nc(C)cs3)cs2)cc1 to decrease its MR value.,CCc1ccc(-c2nc(CS(=O)(=O)c3nc(C)cs3)cs2)cc1,94.66880000000003
+37181,Please optimize the molecule C#Cc1cccc(N[C@H](C)c2ccc(C)c(F)c2)c1 to have a lower MR value.,C#Cc1cccc(N[C@H](C)c2ccc(C)c(F)c2)c1,77.55170000000003
+94537,Modify the molecule Cc1cn(CC(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)nn1 to have a higher MR value.,Cc1cn(CC(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)nn1,97.92150000000004
+169463,Please modify the molecule Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCC(c1ccccc1)c1ccccc1 to increase its MR value.,Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCC(c1ccccc1)c1ccccc1,111.23240000000001
+92937,Please optimize the molecule CC(C)(C)OC(=O)c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 to have a lower MR value.,CC(C)(C)OC(=O)c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1,94.64300000000006
+140672,Please optimize the molecule Cc1nn(C)c(Oc2cccnc2)c1CN1CCCC[C@H]([NH+]2CCCC2)C1 to have a higher MR value.,Cc1nn(C)c(Oc2cccnc2)c1CN1CCCC[C@H]([NH+]2CCCC2)C1,105.10270000000008
+173234,Please optimize the molecule CC(=O)N[C@H](CC(=O)NCc1nc(C)sc1C)c1ccc(Cl)cc1 to have a lower MR value.,CC(=O)N[C@H](CC(=O)NCc1nc(C)sc1C)c1ccc(Cl)cc1,96.06140000000002
+88582,Please optimize the molecule CCOc1cccc(/C=C2/NC(=O)N(CC)C2=O)c1O to have a lower MR value.,CCOc1cccc(/C=C2/NC(=O)N(CC)C2=O)c1O,73.17150000000002
+191911,Modify the molecule O=c1c(Cl)c(Cl)c([O-])nn1-c1ccccc1 to have a higher MR value.,O=c1c(Cl)c(Cl)c([O-])nn1-c1ccccc1,59.30000000000002
+76887,Optimize the molecule Nc1cccc(Br)c1CO to have a higher MR value.,Nc1cccc(Br)c1CO,44.4772
+23216,Please modify the molecule CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 to increase its MR value.,CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1,82.42310000000005
+70117,Please modify the molecule Cc1[nH]nc(Cl)c1Br to increase its MR value.,Cc1[nH]nc(Cl)c1Br,36.0347
+166892,Optimize the molecule C#CC[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccn1 to have a lower MR value.,C#CC[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccn1,73.19640000000001
+39399,Please optimize the molecule C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1 to have a lower MR value.,C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1,79.21410000000003
+142065,Please modify the molecule Cc1noc(C)c1CSc1ccccc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 to increase its MR value.,Cc1noc(C)c1CSc1ccccc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1,112.97650000000004
+41235,Modify the molecule COc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3Cl)c2=O)cc1 to decrease its MR value.,COc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3Cl)c2=O)cc1,113.726
+15435,Optimize the molecule CCC[NH+]1CCc2c(sc(NC(=O)c3ccnn3C)c2C(=O)OC)C1 to have a lower MR value.,CCC[NH+]1CCc2c(sc(NC(=O)c3ccnn3C)c2C(=O)OC)C1,95.21540000000003
+99107,Modify the molecule CN(C(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 to decrease its MR value.,CN(C(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1,97.22500000000004
+195954,Modify the molecule CC[C@H](NC(=O)C1CCCC1)c1ccc(OC)cc1 to have a higher MR value.,CC[C@H](NC(=O)C1CCCC1)c1ccc(OC)cc1,76.12670000000006
+115634,Modify the molecule COc1ccc(OC)c(CN(C)C(=O)Cc2nc3nc(C)cc(C)n3n2)c1 to decrease its MR value.,COc1ccc(OC)c(CN(C)C(=O)Cc2nc3nc(C)cc(C)n3n2)c1,99.98000000000002
+109823,Please modify the molecule Cc1cccc(NC(=O)N2CCC(C(=O)NCC(=O)NCC(C)C)CC2)c1 to decrease its MR value.,Cc1cccc(NC(=O)N2CCC(C(=O)NCC(=O)NCC(C)C)CC2)c1,105.35210000000005
+119235,Modify the molecule CCCCNC(=O)[C@H]1CC[C@H](C)N(c2ncnc3sc(C)cc23)C1 to increase its MR value.,CCCCNC(=O)[C@H]1CC[C@H](C)N(c2ncnc3sc(C)cc23)C1,99.60170000000005
+206653,Modify the molecule [NH3+]Cc1nnc(SC[C@@H]2Cc3ccccc3S2)n1C1CC1 to decrease its MR value.,[NH3+]Cc1nnc(SC[C@@H]2Cc3ccccc3S2)n1C1CC1,85.40010000000004
+157469,Modify the molecule Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCOc1ccccc1C(F)(F)F to have a higher MR value.,Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCOc1ccccc1C(F)(F)F,84.82840000000004
+217560,Please modify the molecule COCCn1c(Sc2nc(C(F)(F)F)nc3ccccc23)nc2ccccc21 to decrease its MR value.,COCCn1c(Sc2nc(C(F)(F)F)nc3ccccc23)nc2ccccc21,100.27200000000002
+78742,Modify the molecule CCCOc1ccc(NC(=O)CCC(=O)[O-])cc1 to have a higher MR value.,CCCOc1ccc(NC(=O)CCC(=O)[O-])cc1,65.09870000000004
+88257,Modify the molecule COc1ccc(CNC(=O)C2(c3cccs3)CCOCC2)cc1 to have a higher MR value.,COc1ccc(CNC(=O)C2(c3cccs3)CCOCC2)cc1,90.89070000000004
+158873,Please optimize the molecule CCN(c1nc2ccccc2cc1C[NH2+]C(C)C)C(C)C to have a lower MR value.,CCN(c1nc2ccccc2cc1C[NH2+]C(C)C)C(C)C,90.66440000000006
+238800,Modify the molecule COc1cccc(C(=O)Nc2cc(C(N)=O)ccc2C)c1F to have a higher MR value.,COc1cccc(C(=O)Nc2cc(C(N)=O)ccc2C)c1F,80.60210000000002
+106946,Modify the molecule CCOC(=O)C(F)(F)Oc1cc(C)ccc1C to decrease its MR value.,CCOC(=O)C(F)(F)Oc1cc(C)ccc1C,58.12400000000003
+6288,Modify the molecule C=C(c1ccccc1)[C@@H](C(=O)[O-])S(C)(=O)=O to increase its MR value.,C=C(c1ccccc1)[C@@H](C(=O)[O-])S(C)(=O)=O,59.11480000000003
+149653,Modify the molecule Cc1ncc([C@H](C)N[C@@H]2CCc3c(Br)cccc32)s1 to have a higher MR value.,Cc1ncc([C@H](C)N[C@@H]2CCc3c(Br)cccc32)s1,83.60570000000004
+6109,Modify the molecule COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)cc(OC)c1OC to have a higher MR value.,COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)cc(OC)c1OC,96.94840000000003
+114512,Please modify the molecule COc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCCC1 to increase its MR value.,COc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCCC1,99.83530000000006
+17793,Please optimize the molecule CNC(=O)NC(=O)CC[NH+](C)[C@H]1CCCN(c2ccccc2)C1 to have a higher MR value.,CNC(=O)NC(=O)CC[NH+](C)[C@H]1CCCN(c2ccccc2)C1,90.64610000000005
+208049,Modify the molecule CCOC(=O)CCN(C)[C@@H](C)c1cc(F)ccc1F to have a lower MR value.,CCOC(=O)CCN(C)[C@@H](C)c1cc(F)ccc1F,68.65300000000003
+185354,Please modify the molecule CCOC(=O)[C@@H]1C[C@H](O)[C@H](C(=O)OCC)C[C@@H]1O to decrease its MR value.,CCOC(=O)[C@@H]1C[C@H](O)[C@H](C(=O)OCC)C[C@@H]1O,61.49360000000004
+68168,Please optimize the molecule Cc1cccc(CN(C)c2cccc(C[NH3+])c2)n1 to have a higher MR value.,Cc1cccc(CN(C)c2cccc(C[NH3+])c2)n1,74.11510000000003
+53538,Please modify the molecule CN1C[C@@H](NC(=O)CCCOc2cccnc2)CC1=O to decrease its MR value.,CN1C[C@@H](NC(=O)CCCOc2cccnc2)CC1=O,73.15070000000003
+123544,Modify the molecule O=C(CN1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1)NC1CC1 to have a lower MR value.,O=C(CN1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1)NC1CC1,95.23770000000005
+200041,Modify the molecule O=C(CSc1ccc(Cl)nn1)Nc1cccc2nsnc12 to increase its MR value.,O=C(CSc1ccc(Cl)nn1)Nc1cccc2nsnc12,83.81070000000003
+47562,Optimize the molecule CN1CC[NH+](Cc2ccc(C(N)=S)cc2)C(C)(C)C1=O to have a lower MR value.,CN1CC[NH+](Cc2ccc(C(N)=S)cc2)C(C)(C)C1=O,83.57910000000004
+77183,Modify the molecule C[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1ccc(C#N)cc1 to have a lower MR value.,C[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1ccc(C#N)cc1,93.30520000000004
+21931,Optimize the molecule CCOCCN(C)C(=O)N[C@@H](CC)c1cccs1 to have a higher MR value.,CCOCCN(C)C(=O)N[C@@H](CC)c1cccs1,75.00570000000005
+149634,Please optimize the molecule Cc1onc(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)c1C[NH+](C)C to have a higher MR value.,Cc1onc(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)c1C[NH+](C)C,127.42820000000003
+6643,Modify the molecule C[C@]1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCS(=O)(=O)C1 to decrease its MR value.,C[C@]1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCS(=O)(=O)C1,82.15200000000004
+95040,Please optimize the molecule C[C@H](C(=O)NN)[C@H](C)n1c(CC#N)nc2ccccc21 to have a lower MR value.,C[C@H](C(=O)NN)[C@H](C)n1c(CC#N)nc2ccccc21,75.25510000000003
+226665,Optimize the molecule CC[NH+](CC)C[C@H]1CCN(C(=O)c2sc3ncn(C)c(=O)c3c2C)C1 to have a higher MR value.,CC[NH+](CC)C[C@H]1CCN(C(=O)c2sc3ncn(C)c(=O)c3c2C)C1,100.52020000000005
+213350,Modify the molecule NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CCO1 to have a higher MR value.,NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CCO1,84.47010000000003
+104498,Modify the molecule CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC(=O)[O-])CC1 to have a higher MR value.,CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC(=O)[O-])CC1,65.05910000000003
+218879,Modify the molecule CCc1c(N2C[C@@H](C)[C@@](C)(O)C2)nc(C)[nH+]c1C to decrease its MR value.,CCc1c(N2C[C@@H](C)[C@@](C)(O)C2)nc(C)[nH+]c1C,71.64550000000004
+124494,Modify the molecule Cc1cc(CNC(=O)c2csc(C#CCCO)c2)sc1C to decrease its MR value.,Cc1cc(CNC(=O)c2csc(C#CCCO)c2)sc1C,87.86300000000003
+74873,Please modify the molecule Cc1ccc(-c2nnc([S-])n2CC(=O)N[C@@H](C)CN2CCC=N2)cc1 to increase its MR value.,Cc1ccc(-c2nnc([S-])n2CC(=O)N[C@@H](C)CN2CCC=N2)cc1,98.11270000000003
+179806,Please modify the molecule c1cnn(CCNc2nc[nH+]c3c2CCN(Cc2ccsc2)CC3)c1 to decrease its MR value.,c1cnn(CCNc2nc[nH+]c3c2CCN(Cc2ccsc2)CC3)c1,98.51340000000003
+166739,Please modify the molecule COCCN(C)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 to increase its MR value.,COCCN(C)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1,98.81520000000006
+101792,Modify the molecule COc1ccc(CN2CCN(CC#N)CC2)cc1 to have a lower MR value.,COc1ccc(CN2CCN(CC#N)CC2)cc1,70.32400000000004
+36105,Optimize the molecule CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2F)o1 to have a lower MR value.,CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2F)o1,74.09870000000001
+211061,Please optimize the molecule c1ccc(-c2cc3c(SCCn4cccn4)ncnc3s2)cc1 to have a higher MR value.,c1ccc(-c2cc3c(SCCn4cccn4)ncnc3s2)cc1,95.80200000000002
+138977,Modify the molecule CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(F)cc2)c1O to decrease its MR value.,CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(F)cc2)c1O,87.39040000000001
+47886,Please modify the molecule NC(=O)c1cnc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c(Cl)c1 to decrease its MR value.,NC(=O)c1cnc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c(Cl)c1,91.36060000000003
+71743,Please optimize the molecule O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1N1CCCCC1 to have a higher MR value.,O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1N1CCCCC1,117.15150000000007
+12349,Modify the molecule CC(C)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 to have a lower MR value.,CC(C)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1,96.27150000000006
+208963,Optimize the molecule C=CCOc1ccc(NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 to have a lower MR value.,C=CCOc1ccc(NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,95.71540000000002
+60937,Optimize the molecule C[C@H](CCC[NH3+])NC(=O)c1cccc(F)c1F to have a higher MR value.,C[C@H](CCC[NH3+])NC(=O)c1cccc(F)c1F,60.275300000000016
+66600,Please modify the molecule Cn1cc(Br)c(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)n1 to increase its MR value.,Cn1cc(Br)c(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)n1,77.4753
+1224,Modify the molecule CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Oc2cccc(OC)c2)C1 to have a lower MR value.,CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Oc2cccc(OC)c2)C1,71.46540000000005
+42581,Modify the molecule C[C@]1(CNc2ncccc2Br)CCCO1 to have a higher MR value.,C[C@]1(CNc2ncccc2Br)CCCO1,64.01770000000003
+150202,Please modify the molecule Cc1ccc(CNC(=O)NCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 to increase its MR value.,Cc1ccc(CNC(=O)NCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1,107.96010000000001
+98594,Please optimize the molecule Cc1cc(C(=O)OCc2nc(COc3ccc(F)cc3)no2)c2ccccc2n1 to have a lower MR value.,Cc1cc(C(=O)OCc2nc(COc3ccc(F)cc3)no2)c2ccccc2n1,100.62950000000001
+154790,Please modify the molecule CC(C)Cc1nnc(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)s1 to increase its MR value.,CC(C)Cc1nnc(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)s1,99.11170000000006
+1761,Modify the molecule CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@H]1c1cccs1 to have a lower MR value.,CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@H]1c1cccs1,126.95540000000004
+186458,Modify the molecule O=C(NCCc1nnc2ccccn12)c1ccc2[nH]cnc2c1 to decrease its MR value.,O=C(NCCc1nnc2ccccn12)c1ccc2[nH]cnc2c1,85.1179
+125579,Optimize the molecule C[NH+](Cc1cccc2c1OCO2)[C@H]1CCCC[C@@H]1S(C)(=O)=O to have a lower MR value.,C[NH+](Cc1cccc2c1OCO2)[C@H]1CCCC[C@@H]1S(C)(=O)=O,84.04350000000005
+182506,Modify the molecule COC(=O)c1cccc(-c2cccc(C#N)n2)n1 to have a lower MR value.,COC(=O)c1cccc(-c2cccc(C#N)n2)n1,63.52250000000002
+232120,Modify the molecule C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 to decrease its MR value.,C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@H]13)O2,72.14300000000003
+94429,Modify the molecule Cc1occc1CN(C)Cc1ccc([N+](=O)[O-])c(N)c1 to decrease its MR value.,Cc1occc1CN(C)Cc1ccc([N+](=O)[O-])c(N)c1,76.12480000000002
+246742,Please modify the molecule CC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1c1cccc(Cl)c1Cl to increase its MR value.,CC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1c1cccc(Cl)c1Cl,82.76200000000004
+149371,Optimize the molecule Cc1ccc(N(Cc2ccon2)Cc2ccco2)cc1 to have a lower MR value.,Cc1ccc(N(Cc2ccon2)Cc2ccco2)cc1,76.27700000000003
+117500,Modify the molecule N#Cc1ccc(F)c(CNC(=O)/C=C/c2ccc(C(N)=O)cc2)c1 to have a lower MR value.,N#Cc1ccc(F)c(CNC(=O)/C=C/c2ccc(C(N)=O)cc2)c1,86.9556
+3541,Modify the molecule CC[C@@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 to have a lower MR value.,CC[C@@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1,86.86300000000004
+54117,Modify the molecule N#Cc1cc(N)ncc1-c1ccc(Cl)cc1Cl to have a higher MR value.,N#Cc1cc(N)ncc1-c1ccc(Cl)cc1Cl,68.82040000000002
+78113,Please modify the molecule CCN(Cc1ccccn1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 to decrease its MR value.,CCN(Cc1ccccn1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1,88.05470000000005
+186761,Please optimize the molecule CC(C)c1cccc(N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 to have a higher MR value.,CC(C)c1cccc(N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1,95.67160000000004
+167717,Please modify the molecule CS(=O)(=O)NCCC/[NH+]=C/c1c(O)ccc2ccccc12 to decrease its MR value.,CS(=O)(=O)NCCC/[NH+]=C/c1c(O)ccc2ccccc12,84.07200000000005
+5230,Modify the molecule C[C@H](NC(=O)CCc1ccco1)c1ccc(-n2ccnc2)cc1 to have a lower MR value.,C[C@H](NC(=O)CCc1ccco1)c1ccc(-n2ccnc2)cc1,87.15070000000004
+179813,Please modify the molecule CC(C)CNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1 to increase its MR value.,CC(C)CNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1,101.02520000000005
+145393,Optimize the molecule CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)C3CCCCC3)cc(C(F)(F)F)c12 to have a higher MR value.,CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)C3CCCCC3)cc(C(F)(F)F)c12,107.91240000000006
+26813,Modify the molecule C[C@H]1CCc2c(sc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2C(N)=O)C1 to have a lower MR value.,C[C@H]1CCc2c(sc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2C(N)=O)C1,97.80360000000003
+178900,Please optimize the molecule Cc1c(C)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2[nH]c1=O to have a lower MR value.,Cc1c(C)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2[nH]c1=O,93.15290000000005
+23479,Modify the molecule C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)C[C@H]1CCCO1 to decrease its MR value.,C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)C[C@H]1CCCO1,70.11850000000004
+131085,Modify the molecule Cc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@@H]2c2ccco2)cc1 to increase its MR value.,Cc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@@H]2c2ccco2)cc1,114.86000000000001
+87816,Modify the molecule COc1cc(C)ccc1NC(=O)c1cccnc1N1CCOCC1 to have a lower MR value.,COc1cc(C)ccc1NC(=O)c1cccnc1N1CCOCC1,92.95320000000004
+112372,Please optimize the molecule CCCCn1c(N)c(N(C)C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)c(=O)[nH]c1=O to have a lower MR value.,CCCCn1c(N)c(N(C)C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)c(=O)[nH]c1=O,126.35610000000004
+207389,Please optimize the molecule CCc1ccc(NC(=O)N2CCOc3ccccc32)cc1 to have a lower MR value.,CCc1ccc(NC(=O)N2CCOc3ccccc32)cc1,84.12170000000005
+88421,Please optimize the molecule CN(Cc1cnn(C)c1)C(=O)CS[C@@H]1CCS(=O)(=O)C1 to have a higher MR value.,CN(Cc1cnn(C)c1)C(=O)CS[C@@H]1CCS(=O)(=O)C1,79.19880000000003
+208646,Optimize the molecule Cc1nn(Cc2ccccc2)c(C)c1Nc1c(C#N)nnc2ccccc12 to have a lower MR value.,Cc1nn(Cc2ccccc2)c(C)c1Nc1c(C#N)nnc2ccccc12,104.78070000000001
+80155,Modify the molecule COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)C(C)(C)C)CC1 to have a lower MR value.,COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)C(C)(C)C)CC1,93.52200000000005
+149175,Optimize the molecule CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S to have a lower MR value.,CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S,110.31370000000004
+213554,Optimize the molecule C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 to have a higher MR value.,C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1,117.83370000000004
+61272,Please modify the molecule COC(=O)Cc1n[nH]c(/N=C(\[O-])C/C=C/c2ccc(C)cc2)n1 to increase its MR value.,COC(=O)Cc1n[nH]c(/N=C(\[O-])C/C=C/c2ccc(C)cc2)n1,84.02770000000004
+105288,Modify the molecule Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(NS(C)(=O)=O)CC2)c(C)c1 to increase its MR value.,Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(NS(C)(=O)=O)CC2)c(C)c1,95.01690000000006
+94938,Please modify the molecule CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)O[C@@H](C)Cn1cccn1 to increase its MR value.,CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)O[C@@H](C)Cn1cccn1,92.67200000000005
+126847,Please optimize the molecule O=C(c1cnc([C@@H]2CCCO2)s1)N1CC[C@H](COCc2ccccc2)C1 to have a lower MR value.,O=C(c1cnc([C@@H]2CCCO2)s1)N1CC[C@H](COCc2ccccc2)C1,100.14950000000005
+106227,Modify the molecule CCC[C@H]1C(=O)NCC[NH+]1Cc1cc(Cl)ccc1O to decrease its MR value.,CCC[C@H]1C(=O)NCC[NH+]1Cc1cc(Cl)ccc1O,74.35620000000003
+210032,Modify the molecule Cc1ccoc1C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 to decrease its MR value.,Cc1ccoc1C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21,86.53150000000004
+225494,Optimize the molecule CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCS1(=O)=O to have a lower MR value.,CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCS1(=O)=O,90.52450000000005
+141232,Please modify the molecule O=C1CN(C(=O)Nc2cnc(-c3ccccc3)s2)[C@H]2CCCC[C@@H]2N1 to increase its MR value.,O=C1CN(C(=O)Nc2cnc(-c3ccccc3)s2)[C@H]2CCCC[C@@H]2N1,97.46140000000004
+34374,Please optimize the molecule CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 to have a lower MR value.,CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1,93.90770000000005
+26171,Please optimize the molecule CCn1c(S[C@@H](C)C#N)nc2cc(S(N)(=O)=O)ccc21 to have a higher MR value.,CCn1c(S[C@@H](C)C#N)nc2cc(S(N)(=O)=O)ccc21,77.71220000000004
+129061,Modify the molecule COCCCn1c(=[NH2+])c(C(=O)N2CC[NH+](C)CC2)cc2c(=O)n3cccc(C)c3nc21 to have a higher MR value.,COCCCn1c(=[NH2+])c(C(=O)N2CC[NH+](C)CC2)cc2c(=O)n3cccc(C)c3nc21,115.77260000000005
+202256,Please modify the molecule O=C(Cc1cccc(OC(F)F)c1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 to increase its MR value.,O=C(Cc1cccc(OC(F)F)c1)N[C@H]1C[C@@H]1c1cccc(Cl)c1,87.51870000000004
+248347,Optimize the molecule O=C(COC1CCCCC1)Nc1ccccc1OC1CCCC1 to have a lower MR value.,O=C(COC1CCCCC1)Nc1ccccc1OC1CCCC1,90.78070000000007
+136155,Modify the molecule CC1(C)[C@@H]2CC[C@@]1(CS)[C@H](O)C2 to increase its MR value.,CC1(C)[C@@H]2CC[C@@]1(CS)[C@H](O)C2,53.41480000000004
+3899,Optimize the molecule CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(Cl)c1SC(F)F to have a lower MR value.,CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(Cl)c1SC(F)F,85.85450000000004
+30997,Please optimize the molecule Cn1nc(C(=O)N2CCOCC2)c(Cl)c1C(F)(F)F to have a lower MR value.,Cn1nc(C(=O)N2CCOCC2)c(Cl)c1C(F)(F)F,59.94250000000002
+179893,Modify the molecule C=CC[NH+](CC(=O)[O-])C1CCCCC1 to have a lower MR value.,C=CC[NH+](CC(=O)[O-])C1CCCCC1,52.77370000000004
+38079,Please optimize the molecule COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 to have a higher MR value.,COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1,93.67380000000001
+22096,Please optimize the molecule CCC(CC)[C@H](CNC(=O)c1ccc2[nH]cnc2c1)N1CCOCC1 to have a lower MR value.,CCC(CC)[C@H](CNC(=O)c1ccc2[nH]cnc2c1)N1CCOCC1,98.67890000000006
+230093,Please optimize the molecule C[C@H](C[NH2+]C(C)(C)C)[C@@H](C)N(C)Cc1ccsc1 to have a higher MR value.,C[C@H](C[NH2+]C(C)(C)C)[C@@H](C)N(C)Cc1ccsc1,80.95740000000006
+6232,Please modify the molecule CC1=C(C)C[C@H](C(=O)NNC(=O)c2cccc(C)c2)[C@@H](C(=O)[O-])C1 to decrease its MR value.,CC1=C(C)C[C@H](C(=O)NNC(=O)c2cccc(C)c2)[C@@H](C(=O)[O-])C1,86.38290000000005
+164036,Please modify the molecule COc1ccccc1/C=C/C1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1 to decrease its MR value.,COc1ccccc1/C=C/C1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1,96.62840000000001
+8332,Modify the molecule COC(=O)CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)C(C)C to decrease its MR value.,COC(=O)CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)C(C)C,64.51510000000003
+11575,Please optimize the molecule CC(C)[C@@H](NC(=O)N(Cc1cccnc1)C(C)C)c1ccccn1 to have a higher MR value.,CC(C)[C@@H](NC(=O)N(Cc1cccnc1)C(C)C)c1ccccn1,95.26370000000006
+28480,Please modify the molecule C#CC[C@@H](NC(=O)CCc1ccc(C)o1)C(N)=O to increase its MR value.,C#CC[C@@H](NC(=O)CCc1ccc(C)o1)C(N)=O,66.34110000000001
+158692,Modify the molecule C[C@@H]([NH2+]CCCNC(=O)C1CCC1)C1CCCC1 to increase its MR value.,C[C@@H]([NH2+]CCCNC(=O)C1CCC1)C1CCCC1,73.18010000000005
+45490,Modify the molecule CCC(=O)c1ccc(OCCCN2C[C@H](C)O[C@@H](C)C2)cc1 to have a higher MR value.,CCC(=O)c1ccc(OCCCN2C[C@H](C)O[C@@H](C)C2)cc1,87.62450000000007
+151372,Optimize the molecule Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3[n+](C[C@@H]3CCCO3)c2N)cc1 to have a lower MR value.,Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3[n+](C[C@@H]3CCCO3)c2N)cc1,124.89860000000002
+190928,Please modify the molecule N#CC1([C@]2(O)CC[NH+](C3CC3)C2)CCC1 to decrease its MR value.,N#CC1([C@]2(O)CC[NH+](C3CC3)C2)CCC1,55.18250000000004
+192849,Optimize the molecule [NH3+]CC1(c2ccc(Cl)c(Cl)c2)OCCCO1 to have a lower MR value.,[NH3+]CC1(c2ccc(Cl)c(Cl)c2)OCCCO1,62.41610000000002
+113035,Optimize the molecule COc1ccc(F)cc1NC(=O)NCCCCn1cnnc1 to have a lower MR value.,COc1ccc(F)cc1NC(=O)NCCCCn1cnnc1,79.22940000000003
+38793,Modify the molecule CNC(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1Cl to increase its MR value.,CNC(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1Cl,86.18400000000003
+247628,Please optimize the molecule COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccco1 to have a lower MR value.,COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccco1,103.56010000000002
+234176,Optimize the molecule CC(NCCC(C)C)=C1C(=O)N(C)C(=O)N(C)C1=O to have a lower MR value.,CC(NCCC(C)C)=C1C(=O)N(C)C(=O)N(C)C1=O,71.09370000000003
+164574,Please optimize the molecule CCc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])sc1C to have a higher MR value.,CCc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])sc1C,78.71920000000004
+84906,Modify the molecule Cc1ccc([C@H](CCC(F)(F)F)C(=O)[O-])cc1 to increase its MR value.,Cc1ccc([C@H](CCC(F)(F)F)C(=O)[O-])cc1,54.21600000000003
+181485,Please modify the molecule Cc1ccc(CN2CCOC[C@H]2C#N)c(C)c1 to decrease its MR value.,Cc1ccc(CN2CCOC[C@H]2C#N)c(C)c1,66.54600000000003
+141929,Modify the molecule C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 to have a lower MR value.,C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1,96.32530000000003
+178004,Optimize the molecule Ic1ccc(N[C@@H]2CCO[C@]3(CCOC3)C2)cc1 to have a lower MR value.,Ic1ccc(N[C@@H]2CCO[C@]3(CCOC3)C2)cc1,79.92270000000005
+246130,Modify the molecule COCc1ccc(CN2CCN(C(=O)CC3CCCCC3)CC2)cc1 to decrease its MR value.,COCc1ccc(CN2CCN(C(=O)CC3CCCCC3)CC2)cc1,100.20400000000006
+30184,Modify the molecule C[NH+]1CCC([NH3+])(c2ccccc2Cl)CC1 to increase its MR value.,C[NH+]1CCC([NH3+])(c2ccccc2Cl)CC1,61.87280000000003
+135713,Please optimize the molecule Cc1csc(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n1 to have a lower MR value.,Cc1csc(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n1,90.83770000000004
+60575,Optimize the molecule CCc1c(N)nnn1CCCS(=O)(=O)CC to have a higher MR value.,CCc1c(N)nnn1CCCS(=O)(=O)CC,62.75720000000003
+206260,Please modify the molecule Cc1cc(N(C)C)ccc1NC(=O)C#Cc1ccccc1 to decrease its MR value.,Cc1cc(N(C)C)ccc1NC(=O)C#Cc1ccccc1,87.45570000000002
+2384,Please modify the molecule O=C(OCC1CC1)c1cnc(Oc2ccccc2)cn1 to decrease its MR value.,O=C(OCC1CC1)c1cnc(Oc2ccccc2)cn1,71.55450000000003
+213495,Optimize the molecule CNC(=O)C[C@H](C[NH3+])N1CCC(C[NH+](C)C)CC1 to have a higher MR value.,CNC(=O)C[C@H](C[NH3+])N1CCC(C[NH+](C)C)CC1,72.20150000000004
+96046,Please optimize the molecule CC1=C(C(=O)Nc2cc(C(=O)NCCc3c(C)noc3C)ccc2C)SCCO1 to have a higher MR value.,CC1=C(C(=O)Nc2cc(C(=O)NCCc3c(C)noc3C)ccc2C)SCCO1,112.93290000000003
+189612,Modify the molecule C#CCNCC(=O)N[C@H](CC)C(=O)[O-] to have a lower MR value.,C#CCNCC(=O)N[C@H](CC)C(=O)[O-],48.93140000000002
+70497,Please modify the molecule CCC([NH3+])(CC)C(=O)N(CCC(=O)[O-])C(C)C to decrease its MR value.,CCC([NH3+])(CC)C(=O)N(CCC(=O)[O-])C(C)C,62.67410000000004
+21367,Please modify the molecule O=S(=O)(Cc1ccccc1)/N=C(\[O-])CCOc1ccccc1 to decrease its MR value.,O=S(=O)(Cc1ccccc1)/N=C(\[O-])CCOc1ccccc1,83.05480000000004
+62191,Please optimize the molecule Cc1cccc(Cc2cnc(NC(=O)N[C@@H](C)c3ccc(C)o3)s2)c1 to have a lower MR value.,Cc1cccc(Cc2cnc(NC(=O)N[C@@H](C)c3ccc(C)o3)s2)c1,100.11340000000004
+217654,Please modify the molecule Cc1ncsc1CN[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 to decrease its MR value.,Cc1ncsc1CN[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1,74.63410000000005
+247939,Modify the molecule CC(C)COc1cccc(C(=O)N(C)C)c1 to increase its MR value.,CC(C)COc1cccc(C(=O)N(C)C)c1,64.79250000000005
+70320,Please optimize the molecule CC(C)OCCCNC(=O)c1cnc2nc([O-])[nH]c(=O)c2c1 to have a higher MR value.,CC(C)OCCCNC(=O)c1cnc2nc([O-])[nH]c(=O)c2c1,77.64290000000001
+118260,Modify the molecule O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccccc2)s1 to have a lower MR value.,O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccccc2)s1,101.6267
+134814,Modify the molecule COc1ccc(/C=C/C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c(OC)c1 to decrease its MR value.,COc1ccc(/C=C/C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c(OC)c1,103.92740000000002
+173565,Modify the molecule CCCCn1ncc(C(=O)N[C@@H](CO)c2ccco2)c1C to have a lower MR value.,CCCCn1ncc(C(=O)N[C@@H](CO)c2ccco2)c1C,77.87300000000003
+120093,Please optimize the molecule CSC[C@](C)(O)CNC(=O)c1cc(C)ccc1-n1ccnc1 to have a higher MR value.,CSC[C@](C)(O)CNC(=O)c1cc(C)ccc1-n1ccnc1,89.64000000000003
+127186,Please modify the molecule COCC1CCN(C(=O)Nc2cc(F)c(OC)cc2OC)CC1 to increase its MR value.,COCC1CCN(C(=O)Nc2cc(F)c(OC)cc2OC)CC1,84.69570000000004
+3266,Modify the molecule O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Br)cc1 to increase its MR value.,O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Br)cc1,109.10390000000002
+128748,Please modify the molecule Cc1cc([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)CS3)c(C)s1 to increase its MR value.,Cc1cc([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)CS3)c(C)s1,95.46990000000004
+126320,Please optimize the molecule CCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1 to have a higher MR value.,CCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1,120.78400000000005
+113460,Please optimize the molecule Cc1cc(CN(C)C(=O)c2cccc(OCC(F)F)n2)no1 to have a lower MR value.,Cc1cc(CN(C)C(=O)c2cccc(OCC(F)F)n2)no1,72.77350000000003
+228224,Modify the molecule Cc1cncc(NC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 to decrease its MR value.,Cc1cncc(NC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1,91.8272
+44710,Modify the molecule COc1ccccc1[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)[NH+]1CCCC1 to have a lower MR value.,COc1ccccc1[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)[NH+]1CCCC1,114.74310000000004
+81263,Optimize the molecule COCCOC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 to have a lower MR value.,COCCOC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12,96.44290000000005
+81323,Modify the molecule CCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 to have a higher MR value.,CCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1,78.44740000000003
+9483,Modify the molecule CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccc(O)cc2)C(=O)[O-])cc1 to have a lower MR value.,CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccc(O)cc2)C(=O)[O-])cc1,93.69900000000003
+157736,Please optimize the molecule Cc1noc(C)c1[C@H](C)NS(=O)(=O)C[C@H]1CCC[NH2+]C1 to have a lower MR value.,Cc1noc(C)c1[C@H](C)NS(=O)(=O)C[C@H]1CCC[NH2+]C1,75.69790000000005
+128334,Modify the molecule COc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1N1CCCC1=O to decrease its MR value.,COc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1N1CCCC1=O,96.84150000000005
+153091,Modify the molecule NC(=O)c1cncc(-c2ccc(F)cc2)c1 to have a higher MR value.,NC(=O)c1cncc(-c2ccc(F)cc2)c1,58.14890000000001
+197242,Modify the molecule CC[NH+](C[C@@H]1CC=CCC1)C[C@@H](C)C(=O)OC to increase its MR value.,CC[NH+](C[C@@H]1CC=CCC1)C[C@@H](C)C(=O)OC,68.89870000000005
+24206,Please optimize the molecule COC(=O)c1cc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc([N+](=O)[O-])c1 to have a higher MR value.,COC(=O)c1cc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc([N+](=O)[O-])c1,107.34710000000003
+64148,Please optimize the molecule CCC(=O)N[C@H]1CCC[NH+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 to have a higher MR value.,CCC(=O)N[C@H]1CCC[NH+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1,108.11140000000006
+125867,Modify the molecule C[C@H](NC(=O)[C@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1)c1ccc(F)cc1 to increase its MR value.,C[C@H](NC(=O)[C@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1)c1ccc(F)cc1,83.35520000000004
+35786,Modify the molecule C[C@@H]1SCCC[C@H]1N[C@@H]1CC[NH+]2CCCC[C@H]12 to have a higher MR value.,C[C@@H]1SCCC[C@H]1N[C@@H]1CC[NH+]2CCCC[C@H]12,74.81840000000005
+211295,Please modify the molecule CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N(Cc2ccc(C(=O)Nc3ccc(F)cc3C)cc2)C1=O to increase its MR value.,CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N(Cc2ccc(C(=O)Nc3ccc(F)cc3C)cc2)C1=O,133.51199999999997
+139883,Modify the molecule Cn1ncc2c(NCCc3ccncc3)nc(-c3ccncc3)nc21 to decrease its MR value.,Cn1ncc2c(NCCc3ccncc3)nc(-c3ccncc3)nc21,95.96570000000003
+170867,Modify the molecule Cc1nc(C)c([C@@H](C)[NH+](C)Cc2cn[nH]c2C(C)(C)C)s1 to increase its MR value.,Cc1nc(C)c([C@@H](C)[NH+](C)Cc2cn[nH]c2C(C)(C)C)s1,87.88140000000004
+166748,Modify the molecule CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 to have a higher MR value.,CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1,108.15440000000005
+21469,Please modify the molecule O=C(c1cnccn1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 to decrease its MR value.,O=C(c1cnccn1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1,95.57620000000004
+207121,Modify the molecule COC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)nc1 to have a lower MR value.,COC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)nc1,108.65570000000004
+143075,Please optimize the molecule CONC(=O)c1ccccc1Nc1ccccc1 to have a lower MR value.,CONC(=O)c1ccccc1Nc1ccccc1,70.64190000000004
+234938,Modify the molecule Cc1ccc([C@@H]2CSCCN2C(=O)N[C@@H]2CCC(=O)N(C)C2)o1 to increase its MR value.,Cc1ccc([C@@H]2CSCCN2C(=O)N[C@@H]2CCC(=O)N(C)C2)o1,89.40770000000005
+146407,Please optimize the molecule CCC(=O)Nc1nnc(SCC(=O)Nc2cccc(C)c2)s1 to have a lower MR value.,CCC(=O)Nc1nnc(SCC(=O)Nc2cccc(C)c2)s1,89.36240000000002
+159429,Please modify the molecule C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(-n2cccc2)ccc1F to increase its MR value.,C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(-n2cccc2)ccc1F,88.74470000000005
+165904,Please modify the molecule Cc1ccc(NC(=S)NNC(=O)c2ccc(-n3ccnn3)cc2)c(C)c1 to increase its MR value.,Cc1ccc(NC(=S)NNC(=O)c2ccc(-n3ccnn3)cc2)c(C)c1,104.09760000000001
+222151,Please modify the molecule Cc1nnc2ccc(N3CCC[C@@H](C(=O)NC4CCCC4)C3)nn12 to decrease its MR value.,Cc1nnc2ccc(N3CCC[C@@H](C(=O)NC4CCCC4)C3)nn12,90.85470000000005
+171445,Please optimize the molecule CC(C)[NH2+]CCN1C[C@H](C)O[C@H](C)C1 to have a higher MR value.,CC(C)[NH2+]CCN1C[C@H](C)O[C@H](C)C1,58.37740000000005
+162100,Modify the molecule O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1 to increase its MR value.,O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1,69.74500000000003
+83425,Modify the molecule CC[C@](C)(NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)[O-] to decrease its MR value.,CC[C@](C)(NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)[O-],74.55550000000004
+114588,Please optimize the molecule COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1cccc[n+]1[O-] to have a higher MR value.,COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1cccc[n+]1[O-],93.06820000000005
+111849,Modify the molecule CC1=c2cc(Cl)ccc2=[NH+][C@@H]1C(=O)NC[C@H]1Cc2cc(-c3nc(C)cnc3C)ccc2O1 to have a higher MR value.,CC1=c2cc(Cl)ccc2=[NH+][C@@H]1C(=O)NC[C@H]1Cc2cc(-c3nc(C)cnc3C)ccc2O1,121.70940000000002
+43012,Please optimize the molecule Cc1nc(CN[C@@H]2CCSc3ccc(F)cc32)c(C)s1 to have a higher MR value.,Cc1nc(CN[C@@H]2CCSc3ccc(F)cc32)c(C)s1,82.90970000000003
+184209,Modify the molecule C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-] to decrease its MR value.,C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-],59.67140000000003
+66674,Modify the molecule COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2F)c1 to have a lower MR value.,COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2F)c1,102.3341
+73466,Please modify the molecule CCOC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCN(C(=O)OC)C2 to increase its MR value.,CCOC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCN(C(=O)OC)C2,101.37820000000002
+116385,Modify the molecule COc1ccc(-c2nnc(S[C@@H](C)c3nnnn3-c3ccccc3)n2N)cc1 to have a lower MR value.,COc1ccc(-c2nnc(S[C@@H](C)c3nnnn3-c3ccccc3)n2N)cc1,105.5864
+147833,Modify the molecule Cc1occc1C(=O)NC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1 to increase its MR value.,Cc1occc1C(=O)NC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1,95.77040000000005
+34675,Please optimize the molecule CCC([NH3+])(CC)c1nc2cc(F)c(F)cc2[nH]1 to have a higher MR value.,CCC([NH3+])(CC)c1nc2cc(F)c(F)cc2[nH]1,61.15780000000002
+193418,Modify the molecule CO[C@H](C)c1ncc(C=O)cn1 to increase its MR value.,CO[C@H](C)c1ncc(C=O)cn1,42.84350000000002
+81067,Modify the molecule COCCCNC(=O)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 to have a lower MR value.,COCCCNC(=O)c1cccc(-c2cnc(N3CCCCC3)nc2)c1,102.35820000000004
+228800,Please modify the molecule O=C(CN1CCOCC1)NC(=O)NC1CCCCC1 to increase its MR value.,O=C(CN1CCOCC1)NC(=O)NC1CCCCC1,70.80640000000004
+126116,Optimize the molecule CC[C@@]1(c2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)CCC(=O)NC1=O to have a lower MR value.,CC[C@@]1(c2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)CCC(=O)NC1=O,119.60040000000004
+142134,Please modify the molecule C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2n[nH]c3ccccc23)[C@@H]1C to decrease its MR value.,C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2n[nH]c3ccccc23)[C@@H]1C,90.48590000000006
+156921,Modify the molecule O=C(NCCCc1ccccn1)c1ccc(N[C@@H]2CCc3cccnc32)nc1 to increase its MR value.,O=C(NCCCc1ccccn1)c1ccc(N[C@@H]2CCc3cccnc32)nc1,108.04990000000002
+68974,Modify the molecule CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cscc1C to increase its MR value.,CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cscc1C,83.58040000000005
+214391,Optimize the molecule C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+][C@@H]1CCC[C@H](O)C1 to have a lower MR value.,C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+][C@@H]1CCC[C@H](O)C1,68.69860000000004
+206084,Modify the molecule CC1(C)CCC[C@@H]1NC(=O)NCC1CCC1 to have a higher MR value.,CC1(C)CCC[C@@H]1NC(=O)NCC1CCC1,65.29540000000004
+91943,Modify the molecule Cc1ncsc1CCS(=O)(=O)c1nccn1-c1cccc(F)c1 to have a higher MR value.,Cc1ncsc1CCS(=O)(=O)c1nccn1-c1cccc(F)c1,86.12980000000003
+220517,Modify the molecule O=[N+]([O-])c1cnn(-c2nc(C3CC3)ns2)c1 to have a lower MR value.,O=[N+]([O-])c1cnn(-c2nc(C3CC3)ns2)c1,55.66040000000002
+108477,Modify the molecule CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCc2nc(COC)nn2C1 to increase its MR value.,CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCc2nc(COC)nn2C1,93.73140000000005
+38877,Please modify the molecule Cc1oc(-c2ccccc2)nc1C[S@@](=O)Cc1nc2ccccc2s1 to increase its MR value.,Cc1oc(-c2ccccc2)nc1C[S@@](=O)Cc1nc2ccccc2s1,101.84640000000005
+223864,Please optimize the molecule O=C([C@H](Cl)S(=O)(=O)c1ccccc1)N1CCOCC1 to have a lower MR value.,O=C([C@H](Cl)S(=O)(=O)c1ccccc1)N1CCOCC1,70.66780000000003
+41232,Modify the molecule O=c1cc(CNc2ccc3c(c2)OCCO3)c2cc3c(cc2o1)CCC3 to have a lower MR value.,O=c1cc(CNc2ccc3c(c2)OCCO3)c2cc3c(cc2o1)CCC3,99.26770000000005
+222087,Modify the molecule Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCC(C)(C)c3ccncc3)c2)n1 to have a lower MR value.,Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCC(C)(C)c3ccncc3)c2)n1,110.31540000000001
+27740,Please modify the molecule CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)C(=O)NC1CCCCC1 to decrease its MR value.,CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)C(=O)NC1CCCCC1,104.01670000000006
+192509,Modify the molecule Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1ccnn1C)n2C to increase its MR value.,Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1ccnn1C)n2C,83.37150000000004
+161249,Modify the molecule C#Cc1ccc(OC)c(F)c1 to have a higher MR value.,C#Cc1ccc(OC)c(F)c1,40.887000000000015
+167932,Modify the molecule Cc1ccc(CN(C)Cc2ccc(N3CCCC3)[nH+]c2)s1 to have a higher MR value.,Cc1ccc(CN(C)Cc2ccc(N3CCCC3)[nH+]c2)s1,88.67170000000004
+224438,Please optimize the molecule O=C(NCCCn1cccn1)N1CCN(Cc2cccc(Cl)c2Cl)CC1 to have a higher MR value.,O=C(NCCCn1cccn1)N1CCN(Cc2cccc(Cl)c2Cl)CC1,103.55470000000005
+28491,Optimize the molecule Cc1ccccc1CN1C(=O)CCn2nccc21 to have a higher MR value.,Cc1ccccc1CN1C(=O)CCn2nccc21,69.21300000000002
+240843,Optimize the molecule COC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(C(F)(F)F)n1 to have a higher MR value.,COC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(C(F)(F)F)n1,77.68200000000002
+247414,Optimize the molecule C/C=C/C=C/C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 to have a higher MR value.,C/C=C/C=C/C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1,90.08600000000004
+29905,Please modify the molecule NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)CC1 to decrease its MR value.,NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)CC1,87.84410000000004
+43563,Please modify the molecule CCNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N to increase its MR value.,CCNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N,91.59170000000005
+80184,Optimize the molecule CN(CC(C)(C)O)C(=O)Nc1ccc(Br)c2ccccc12 to have a higher MR value.,CN(CC(C)(C)O)C(=O)Nc1ccc(Br)c2ccccc12,89.59450000000004
+42820,Optimize the molecule N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 to have a lower MR value.,N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1,67.64680000000003
+115851,Modify the molecule CC(C)COc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 to decrease its MR value.,CC(C)COc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)cc1,110.22950000000004
+73770,Modify the molecule Cn1cc(CCCOC(=O)c2cc3ccccc3c(=O)[nH]2)cn1 to have a lower MR value.,Cn1cc(CCCOC(=O)c2cc3ccccc3c(=O)[nH]2)cn1,86.38020000000003
+207531,Please modify the molecule Clc1ccc2oc(SCc3noc(-c4ccsc4)n3)nc2c1 to increase its MR value.,Clc1ccc2oc(SCc3noc(-c4ccsc4)n3)nc2c1,86.191
+154897,Modify the molecule CS[C@@H]1CCC[C@H]1N(C)C(=O)c1ccnc(OC2CCC2)c1 to have a higher MR value.,CS[C@@H]1CCC[C@H]1N(C)C(=O)c1ccnc(OC2CCC2)c1,89.53950000000006
+228513,Please optimize the molecule C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnc(-c2ccccc2)nc1 to have a higher MR value.,C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnc(-c2ccccc2)nc1,98.59420000000003
+147050,Modify the molecule CCCCSCCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 to decrease its MR value.,CCCCSCCC(=O)N1CCN(c2ccc(C#N)cn2)CC1,94.59500000000006
+9331,Please modify the molecule Cc1cc(C)n(C[C@H]2CCCN2c2ccc(C#N)cn2)n1 to decrease its MR value.,Cc1cc(C)n(C[C@H]2CCCN2c2ccc(C#N)cn2)n1,81.02100000000004
+230310,Modify the molecule CC(C)Cn1c(C[NH+]2C[C@@H]3CCC[C@H]2C3)cnc1S(=O)(=O)Cc1ccccc1 to have a lower MR value.,CC(C)Cn1c(C[NH+]2C[C@@H]3CCC[C@H]2C3)cnc1S(=O)(=O)Cc1ccccc1,109.67650000000005
+227586,Please modify the molecule Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(C3CC3)[nH]n1)C2 to decrease its MR value.,Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(C3CC3)[nH]n1)C2,75.86260000000003
+38954,Please modify the molecule COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C)s3)n2)cc1 to decrease its MR value.,COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C)s3)n2)cc1,96.64200000000002
+89311,Optimize the molecule COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 to have a lower MR value.,COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1,112.36950000000003
+229384,Please optimize the molecule CO[C@@H](C(=O)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 to have a lower MR value.,CO[C@@H](C(=O)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1,106.67280000000002
+63290,Please optimize the molecule Cc1ccccc1[C@H]1C(=O)NC(=O)C[C@@H]1C1CC1 to have a lower MR value.,Cc1ccccc1[C@H]1C(=O)NC(=O)C[C@@H]1C1CC1,67.90070000000003
+24333,Please modify the molecule CSc1nc2nc(C)c3c(=O)n(C[C@H]4CCCO4)ccc3n2n1 to decrease its MR value.,CSc1nc2nc(C)c3c(=O)n(C[C@H]4CCCO4)ccc3n2n1,88.04000000000003
+131862,Optimize the molecule O=C(CCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O)N1CCCCC1 to have a higher MR value.,O=C(CCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O)N1CCCCC1,81.91800000000003
+88468,Modify the molecule COC[C@H](O)C[NH+]1CCC(NC(=O)c2ccc3[nH]cnc3c2)CC1 to have a higher MR value.,COC[C@H](O)C[NH+]1CCC(NC(=O)c2ccc3[nH]cnc3c2)CC1,90.02840000000003
+98444,Modify the molecule CCCCn1ncc2c1NC(=O)C[C@H]2c1c[nH]nc1C1CCCCC1 to decrease its MR value.,CCCCn1ncc2c1NC(=O)C[C@H]2c1c[nH]nc1C1CCCCC1,96.63840000000005
+237379,Optimize the molecule O=P1(Nc2ccc(F)cc2)COc2ccccc2OC1 to have a higher MR value.,O=P1(Nc2ccc(F)cc2)COc2ccccc2OC1,75.06120000000004
+184992,Modify the molecule C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1 to increase its MR value.,C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1,86.12240000000004
+10842,Modify the molecule CC[NH2+][C@]1(CO)CC[C@@H](N2CCO[C@H]3CCC[C@@H]32)C1 to have a higher MR value.,CC[NH2+][C@]1(CO)CC[C@@H](N2CCO[C@H]3CCC[C@@H]32)C1,74.00720000000005
+10886,Please modify the molecule CN1CC[NH+](C)C[C@H]1[C@@H](O)Cc1ccc(C(C)(C)C)cc1 to decrease its MR value.,CN1CC[NH+](C)C[C@H]1[C@@H](O)Cc1ccc(C(C)(C)C)cc1,87.89150000000006
+32234,Modify the molecule Cc1ccc(/C=c2\s/c(=C(\C#N)C(=O)C(C)(C)C)n(C3CC3)c2=O)o1 to increase its MR value.,Cc1ccc(/C=c2\s/c(=C(\C#N)C(=O)C(C)(C)C)n(C3CC3)c2=O)o1,96.59500000000006
+155318,Optimize the molecule Cn1c(-c2ccc(Cl)c(Cl)c2)c[nH]/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 to have a higher MR value.,Cn1c(-c2ccc(Cl)c(Cl)c2)c[nH]/c1=N\C(=O)c1cccc([N+](=O)[O-])c1,98.20960000000002
+185145,Modify the molecule CCN[C@H](c1c(F)cccc1F)C(OC)OC to increase its MR value.,CCN[C@H](c1c(F)cccc1F)C(OC)OC,60.58170000000004
+97389,Please modify the molecule O[C@@H](c1cccc(Cl)c1F)[C@@H]1CCOC2(CCSCC2)C1 to decrease its MR value.,O[C@@H](c1cccc(Cl)c1F)[C@@H]1CCOC2(CCSCC2)C1,84.33580000000005
+11022,Optimize the molecule COc1ccc(-c2nc(Cn3cnc4ccsc4c3=O)no2)cc1 to have a lower MR value.,COc1ccc(-c2nc(Cn3cnc4ccsc4c3=O)no2)cc1,89.26800000000001
+186679,Please optimize the molecule Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3Cl)CC2)c1 to have a lower MR value.,Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3Cl)CC2)c1,115.96650000000004
+49337,Modify the molecule CC[NH2+][C@@H](Cc1ccccc1)[C@@H]1CN(CC)CCO1 to decrease its MR value.,CC[NH2+][C@@H](Cc1ccccc1)[C@@H]1CN(CC)CCO1,78.25440000000005
+195898,Modify the molecule COc1cc(NC(=O)Cn2c(=O)oc3ccccc32)cc(OC)c1OC to increase its MR value.,COc1cc(NC(=O)Cn2c(=O)oc3ccccc32)cc(OC)c1OC,95.20170000000003
+216771,Please modify the molecule [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCOc2ccccc2)C1 to decrease its MR value.,[NH3+][C@@H]1CCC[C@@H]([NH2+]CCCOc2ccccc2)C1,72.27850000000004
+16246,Optimize the molecule C[C@H](C#N)CN(C)S(=O)(=O)c1ccc(Cl)nc1 to have a lower MR value.,C[C@H](C#N)CN(C)S(=O)(=O)c1ccc(Cl)nc1,63.83980000000003
+101640,Please modify the molecule N#Cc1ccnc(SC[C@H](O)c2ccccc2)c1 to increase its MR value.,N#Cc1ccnc(SC[C@H](O)c2ccccc2)c1,71.07780000000004
+225780,Optimize the molecule Cc1cc(C)n(-c2cc(NC[C@@H](C)c3ccccc3)ncn2)n1 to have a higher MR value.,Cc1cc(C)n(-c2cc(NC[C@@H](C)c3ccccc3)ncn2)n1,91.97470000000004
+247561,Please optimize the molecule C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)C1 to have a lower MR value.,C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)C1,102.88440000000007
+156546,Please modify the molecule O=c1[nH]c(N2CCC[C@H]3CCC[C@@H]32)nc2c1cnn2-c1ccccc1 to increase its MR value.,O=c1[nH]c(N2CCC[C@H]3CCC[C@@H]32)nc2c1cnn2-c1ccccc1,97.19470000000003
+162641,Please modify the molecule CCNC(=O)CNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 to decrease its MR value.,CCNC(=O)CNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1,83.51010000000002
+106834,Modify the molecule O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 to decrease its MR value.,O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1,77.00130000000001
+217069,Optimize the molecule C[C@H](C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)n1cncn1 to have a higher MR value.,C[C@H](C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)n1cncn1,91.61200000000002
+159701,Optimize the molecule Cc1cc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)nn1C to have a lower MR value.,Cc1cc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)nn1C,79.9124
+32034,Optimize the molecule CCCn1cc(NC(=O)N2CCC(C)(C(=O)OCC)CC2)cn1 to have a higher MR value.,CCCn1cc(NC(=O)N2CCC(C)(C(=O)OCC)CC2)cn1,87.08370000000005
+230079,Please modify the molecule CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCc2c1cnn2C to increase its MR value.,CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCc2c1cnn2C,83.06180000000003
+142941,Please modify the molecule Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC(C)C)c(Br)c1 to increase its MR value.,Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC(C)C)c(Br)c1,107.27690000000005
+58786,Modify the molecule O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(N2CCCCCC2)cc1 to have a higher MR value.,O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(N2CCCCCC2)cc1,111.75570000000005
+12006,Please optimize the molecule CC(C)N(CCCO)C(=O)Cc1c(F)cccc1F to have a higher MR value.,CC(C)N(CCCO)C(=O)Cc1c(F)cccc1F,68.61380000000003
+115013,Optimize the molecule C[C@@H](NC(=O)CCS(C)(=O)=O)C1CCCCC1 to have a higher MR value.,C[C@@H](NC(=O)CCS(C)(=O)=O)C1CCCCC1,68.50750000000005
+104770,Modify the molecule O=C1C=C(c2ccccc2)O[C@]1(c1ccccc1)[NH+]1CCOCC1 to have a higher MR value.,O=C1C=C(c2ccccc2)O[C@]1(c1ccccc1)[NH+]1CCOCC1,90.14670000000005
+142089,Please modify the molecule COc1ccccc1C[C@@H]([NH3+])[C@@]1([NH+](C)C)CCC[C@@H](C)C1 to increase its MR value.,COc1ccccc1C[C@@H]([NH3+])[C@@]1([NH+](C)C)CCC[C@@H](C)C1,86.54780000000007
+161660,Modify the molecule C=CCSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1 to increase its MR value.,C=CCSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1,100.97799999999998
+176691,Please modify the molecule CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1cnccn1 to increase its MR value.,CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1cnccn1,87.69300000000001
+76868,Optimize the molecule Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H]2CCC[C@H]2O)cc1 to have a higher MR value.,Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H]2CCC[C@H]2O)cc1,98.55920000000002
+42988,Optimize the molecule CC(=O)NCCNC(=O)NCc1ccccc1Oc1ccccc1 to have a lower MR value.,CC(=O)NCCNC(=O)NCc1ccccc1Oc1ccccc1,91.88010000000004
+140191,Optimize the molecule O=C(Nc1cccc(CN2CCn3c(nnc3C(F)(F)F)C2)c1)c1ccc(F)cc1 to have a higher MR value.,O=C(Nc1cccc(CN2CCn3c(nnc3C(F)(F)F)C2)c1)c1ccc(F)cc1,99.9332
+242640,Optimize the molecule O=C1C[C@H](C(=O)OCCCOc2ccccc2Cl)c2ccccc2N1 to have a higher MR value.,O=C1C[C@H](C(=O)OCCCOc2ccccc2Cl)c2ccccc2N1,94.95270000000002
+221592,Modify the molecule NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C[C@H]1CCCO1 to have a lower MR value.,NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C[C@H]1CCCO1,92.7414
+155488,Please modify the molecule N#Cc1nccnc1Sc1ccccc1 to decrease its MR value.,N#Cc1nccnc1Sc1ccccc1,57.312000000000026
+180801,Modify the molecule Cc1ccc(CC(=O)NCc2ccc(O)c(F)c2)cc1O to have a lower MR value.,Cc1ccc(CC(=O)NCc2ccc(O)c(F)c2)cc1O,76.45930000000001
+57599,Please modify the molecule O=C(CSc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 to increase its MR value.,O=C(CSc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1,109.07540000000004
+200190,Optimize the molecule CC(C)COC(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 to have a higher MR value.,CC(C)COC(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1,91.55540000000005
+105125,Please modify the molecule C[C@@](O)(CNC(=O)c1csnn1)c1ccc(F)cc1F to decrease its MR value.,C[C@@](O)(CNC(=O)c1csnn1)c1ccc(F)cc1F,68.171
+44724,Modify the molecule Cc1sc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] to have a lower MR value.,Cc1sc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-],92.12590000000004
+234882,Optimize the molecule O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCC1 to have a higher MR value.,O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCC1,73.99970000000003
+88596,Modify the molecule COc1ccc(C)cc1NC(=O)COC(=O)c1cccnc1Cl to decrease its MR value.,COc1ccc(C)cc1NC(=O)COC(=O)c1cccnc1Cl,85.89020000000002
+194589,Modify the molecule O=c1c2cc3c(=O)n(O)c(=O)c3cc2c(=O)n1O to have a lower MR value.,O=c1c2cc3c(=O)n(O)c(=O)c3cc2c(=O)n1O,59.254999999999974
+103793,Please modify the molecule COC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 to decrease its MR value.,COC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1,115.04110000000003
+103981,Modify the molecule O=C(/C=C/c1nc2ccccc2s1)Nc1ccccc1S(=O)(=O)C(F)F to have a lower MR value.,O=C(/C=C/c1nc2ccccc2s1)Nc1ccccc1S(=O)(=O)C(F)F,96.91550000000002
+20213,Please optimize the molecule N#Cc1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1 to have a higher MR value.,N#Cc1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1,75.50620000000004
+171780,Please optimize the molecule C#CCn1cc(CN(C)Cc2ccc(F)c(C(F)(F)F)c2)cn1 to have a higher MR value.,C#CCn1cc(CN(C)Cc2ccc(F)c(C(F)(F)F)c2)cn1,77.63300000000001
+241869,Please modify the molecule COCCN1C[C@@H](C(=O)Nc2nccs2)CC1=O to increase its MR value.,COCCN1C[C@@H](C(=O)Nc2nccs2)CC1=O,67.30670000000002
+73965,Modify the molecule O=C1CCCN1c1ccc(S(=O)(=O)NCCn2ccnc2)cc1 to decrease its MR value.,O=C1CCCN1c1ccc(S(=O)(=O)NCCn2ccnc2)cc1,85.44450000000005
+112571,Optimize the molecule CC[C@@H](NC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccc(OC)cc1 to have a lower MR value.,CC[C@@H](NC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccc(OC)cc1,96.58040000000007
+29416,Optimize the molecule Cc1cc(NC(=O)c2ccccn2)ccc1S(N)(=O)=O to have a lower MR value.,Cc1cc(NC(=O)c2ccccn2)ccc1S(N)(=O)=O,74.74240000000002
+21191,Please modify the molecule O=C(NCC1(c2ccccc2)CCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 to decrease its MR value.,O=C(NCC1(c2ccccc2)CCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1,114.73840000000004
+242005,Modify the molecule O=[N+]([O-])c1cc(CO)ccc1Sc1cccc(F)c1 to increase its MR value.,O=[N+]([O-])c1cc(CO)ccc1Sc1cccc(F)c1,69.54220000000002
+226766,Optimize the molecule COc1ccccc1S(=O)(=O)N(C)c1c(C)noc1C to have a lower MR value.,COc1ccccc1S(=O)(=O)N(C)c1c(C)noc1C,74.55980000000004
+85270,Please modify the molecule CCc1cccc(C)c1NC(=O)[C@H]1CCCN(c2nccc(C)n2)C1 to decrease its MR value.,CCc1cccc(C)c1NC(=O)[C@H]1CCCN(c2nccc(C)n2)C1,100.89270000000005
+11803,Modify the molecule CC[NH+](Cc1nc([O-])c2oc3ccccc3c2n1)[C@@H](C)c1cccc(O)c1 to decrease its MR value.,CC[NH+](Cc1nc([O-])c2oc3ccccc3c2n1)[C@@H](C)c1cccc(O)c1,100.48550000000003
+230757,Modify the molecule CCC[C@@H](C[NH3+])C(O)(CC)CC to increase its MR value.,CCC[C@@H](C[NH3+])C(O)(CC)CC,51.68490000000002
+18564,Modify the molecule C[C@@H]1CN(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)[C@H](C)CO1 to increase its MR value.,C[C@@H]1CN(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)[C@H](C)CO1,96.28580000000005
+96238,Please optimize the molecule CCn1ncnc1[C@H](C)NC(=O)c1cn(CC)c2nc(C)ccc2c1=O to have a higher MR value.,CCn1ncnc1[C@H](C)NC(=O)c1cn(CC)c2nc(C)ccc2c1=O,97.99120000000005
+114989,Please modify the molecule CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](C)Sc3ccc(C(F)(F)F)cc32)c1C to increase its MR value.,CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](C)Sc3ccc(C(F)(F)F)cc32)c1C,103.32770000000005
+118350,Optimize the molecule CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc2ccccc12 to have a higher MR value.,CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc2ccccc12,98.07810000000003
+80038,Modify the molecule CCOCC(=O)NNC(=O)NCc1nc(C)c(C)s1 to increase its MR value.,CCOCC(=O)NNC(=O)NCc1nc(C)c(C)s1,71.59510000000002
+225759,Please optimize the molecule COc1cc2nc(C)sc2cc1NC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 to have a lower MR value.,COc1cc2nc(C)sc2cc1NC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1,97.30110000000005
+43498,Please modify the molecule Cc1cc(Nc2ccn(C)n2)ncc1[N+](=O)[O-] to decrease its MR value.,Cc1cc(Nc2ccn(C)n2)ncc1[N+](=O)[O-],62.11910000000001
+243972,Modify the molecule CCc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)NC)o1 to increase its MR value.,CCc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)NC)o1,83.46640000000004
+13055,Modify the molecule O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 to increase its MR value.,O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1,108.04280000000001
+6817,Modify the molecule Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)[C@H]1NCCc2[nH]c[nH+]c21 to have a higher MR value.,Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)[C@H]1NCCc2[nH]c[nH+]c21,91.46150000000003
+30260,Please optimize the molecule Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1 to have a lower MR value.,Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1,108.58100000000003
+223901,Modify the molecule [NH3+]C1CC(OC(=O)Nc2ccccc2C(F)(F)F)C1 to have a higher MR value.,[NH3+]C1CC(OC(=O)Nc2ccccc2C(F)(F)F)C1,61.24580000000001
+214493,Modify the molecule [NH3+][C@H](CCC[C@@H]1CCCO1)[C@@H]1CSCCO1 to increase its MR value.,[NH3+][C@H](CCC[C@@H]1CCCO1)[C@@H]1CSCCO1,66.56610000000003
+114492,Optimize the molecule CC(C)[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1cccs1 to have a higher MR value.,CC(C)[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1cccs1,94.35400000000006
+169728,Please optimize the molecule Cc1cccc(N2CCN(C(=O)c3noc4c3COc3ccccc3-4)C[C@H]2C)c1 to have a lower MR value.,Cc1cccc(N2CCN(C(=O)c3noc4c3COc3ccccc3-4)C[C@H]2C)c1,110.16150000000003
+248839,Please optimize the molecule Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C[C@H](C)c3ccccc3)s2)cc1 to have a higher MR value.,Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C[C@H](C)c3ccccc3)s2)cc1,110.3315
+64795,Modify the molecule CCCC[C@@H](NC(N)=O)C(=O)NC(C)(C)c1nc(C)c(C)s1 to have a lower MR value.,CCCC[C@@H](NC(N)=O)C(=O)NC(C)(C)c1nc(C)c(C)s1,88.78880000000004
+234825,Modify the molecule CCc1c(NC(=O)C2C[C@@H](C)O[C@H](C)C2)noc1-c1ccc(Cl)s1 to increase its MR value.,CCc1c(NC(=O)C2C[C@@H](C)O[C@H](C)C2)noc1-c1ccc(Cl)s1,95.56670000000004
+206027,Modify the molecule Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1Cl to increase its MR value.,Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1Cl,91.836
+161297,Please modify the molecule O=C(CNC(=O)Nc1ccc(N2CCOCC2)c(F)c1)NC1CC1 to increase its MR value.,O=C(CNC(=O)Nc1ccc(N2CCOCC2)c(F)c1)NC1CC1,87.61810000000004
+176181,Please modify the molecule Cc1ccc(NC(=O)[C@H](C)N2CCN(c3ccccc3F)CC2)c(F)c1 to increase its MR value.,Cc1ccc(NC(=O)[C@H](C)N2CCN(c3ccccc3F)CC2)c(F)c1,99.41470000000005
+105084,Modify the molecule CCNC(=O)C1CCN(C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)CC1 to have a higher MR value.,CCNC(=O)C1CCN(C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)CC1,93.08270000000005
+45277,Please modify the molecule Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1 to decrease its MR value.,Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1,128.92870000000002
+35781,Optimize the molecule Cc1cc(C)c2c(OCC(=O)N[C@H](C)c3ccc(C)c(F)c3)nn(C)c2n1 to have a higher MR value.,Cc1cc(C)c2c(OCC(=O)N[C@H](C)c3ccc(C)c(F)c3)nn(C)c2n1,101.17270000000006
+158355,Please modify the molecule Cc1c(O)c(C[NH+]2CCC(C)CC2)cc2c(-c3ccccc3)cc(=O)oc12 to decrease its MR value.,Cc1c(O)c(C[NH+]2CCC(C)CC2)cc2c(-c3ccccc3)cc(=O)oc12,107.12050000000005
+7325,Modify the molecule CSCc1ccnc(NCc2[nH]c(-c3ccccc3)c[nH+]2)c1 to have a lower MR value.,CSCc1ccnc(NCc2[nH]c(-c3ccccc3)c[nH+]2)c1,91.56710000000001
+178076,Modify the molecule CN(C(=S)S[C@@H]1CS(=O)(=O)C=C1Cl)[C@@H]1CCS(=O)(=O)C1 to increase its MR value.,CN(C(=S)S[C@@H]1CS(=O)(=O)C=C1Cl)[C@@H]1CCS(=O)(=O)C1,86.52160000000003
+207130,Optimize the molecule COc1ccc2nc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)sc2c1 to have a higher MR value.,COc1ccc2nc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)sc2c1,96.04870000000004
+225050,Please optimize the molecule C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(Oc3ccccc3)cc2)C1=O to have a lower MR value.,C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(Oc3ccccc3)cc2)C1=O,114.24670000000002
+41851,Modify the molecule COc1cccc(Oc2c(C)oc3c4c(ccc3c2=O)OCN(C[C@H]2CCCO2)C4)c1 to increase its MR value.,COc1cccc(Oc2c(C)oc3c4c(ccc3c2=O)OCN(C[C@H]2CCCO2)C4)c1,115.16800000000003
+225771,Please optimize the molecule CCc1nn(C)c(OC)c1CNC(=O)c1cc2cc(Cl)ccc2o1 to have a higher MR value.,CCc1nn(C)c(OC)c1CNC(=O)c1cc2cc(Cl)ccc2o1,91.53220000000003
+25121,Modify the molecule CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 to increase its MR value.,CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1,86.54530000000004
+199859,Optimize the molecule CCOc1ccccc1/C=C/C(=O)Nc1ccc(N2CCCCC2)cc1 to have a lower MR value.,CCOc1ccccc1/C=C/C(=O)Nc1ccc(N2CCCCC2)cc1,107.78070000000004
+135876,Optimize the molecule CC(=O)c1ccccc1OCCC1CCCCC1 to have a higher MR value.,CC(=O)c1ccccc1OCCC1CCCCC1,73.13350000000004
+67131,Optimize the molecule O=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)Nc1ccc2c(c1)OCCO2 to have a lower MR value.,O=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)Nc1ccc2c(c1)OCCO2,112.30060000000003
+76325,Modify the molecule C[C@@H](c1ccc(F)c(F)c1)N(C)CCc1nc2ccccc2c(=O)[nH]1 to have a higher MR value.,C[C@@H](c1ccc(F)c(F)c1)N(C)CCc1nc2ccccc2c(=O)[nH]1,93.47070000000005
+120915,Please modify the molecule C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccnc(-n2ccnc2)c1 to increase its MR value.,C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccnc(-n2ccnc2)c1,94.45290000000001
+43908,Please optimize the molecule C[C@@H](NC(=O)N[C@@H](CCCO)c1ccccc1)[C@H]1CCCO1 to have a lower MR value.,C[C@@H](NC(=O)N[C@@H](CCCO)c1ccccc1)[C@H]1CCCO1,85.60620000000006
+233217,Modify the molecule COc1ccc(C2(CNC(=O)CC3CCC3)CCOCC2)cc1 to increase its MR value.,COc1ccc(C2(CNC(=O)CC3CCC3)CCOCC2)cc1,89.69270000000006
+4137,Modify the molecule CCCCC[NH+]1CCN(C(=O)N(C)C)CC1 to have a higher MR value.,CCCCC[NH+]1CCN(C(=O)N(C)C)CC1,65.74470000000005
+74293,Modify the molecule COc1cc(CN(C)C(=O)Cn2c(=O)oc3ccccc32)ccc1SC to have a higher MR value.,COc1cc(CN(C)C(=O)Cn2c(=O)oc3ccccc32)ccc1SC,101.72300000000003
+201867,Please optimize the molecule CC(=O)NNC(=O)c1ccsc1NC(=O)CCSc1ccccc1 to have a lower MR value.,CC(=O)NNC(=O)c1ccsc1NC(=O)CCSc1ccccc1,96.0146
+131028,Modify the molecule O=C(O[C@@H]1CC[NH2+]C1)C1CCOCC1 to decrease its MR value.,O=C(O[C@@H]1CC[NH2+]C1)C1CCOCC1,49.699400000000026
+11414,Modify the molecule Cn1c(CC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)nc2ccccc21 to increase its MR value.,Cn1c(CC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)nc2ccccc21,103.81520000000002
+159958,Optimize the molecule N#Cc1cccc(NC(=O)CC[C@@H]2CCCO2)c1 to have a lower MR value.,N#Cc1cccc(NC(=O)CC[C@@H]2CCCO2)c1,67.99470000000004
+12680,Optimize the molecule Cc1nc2ccccc2n1CCNC(=O)NNC(=O)Nc1ccccc1 to have a higher MR value.,Cc1nc2ccccc2n1CCNC(=O)NNC(=O)Nc1ccccc1,99.6008
+89375,Optimize the molecule NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1SCCc2sccc21 to have a lower MR value.,NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1SCCc2sccc21,78.73640000000003
+23606,Please optimize the molecule CC1CC[NH+]([C@@H](C)CNC(=O)Cc2ccccc2Cl)CC1 to have a lower MR value.,CC1CC[NH+]([C@@H](C)CNC(=O)Cc2ccccc2Cl)CC1,86.72240000000005
+147473,Modify the molecule Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(NC(=O)C5CC5)nc4)c(=O)c23)cc1 to have a lower MR value.,Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(NC(=O)C5CC5)nc4)c(=O)c23)cc1,132.89039999999994
+242050,Modify the molecule CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)C(C)C to increase its MR value.,CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)C(C)C,66.98710000000004
+138548,Please optimize the molecule COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c1 to have a higher MR value.,COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c1,102.12960000000004
+62568,Please modify the molecule COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)nc1C to decrease its MR value.,COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)nc1C,119.168
+241584,Optimize the molecule C[C@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)c1cccc(-n2cccn2)c1 to have a higher MR value.,C[C@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)c1cccc(-n2cccn2)c1,99.87320000000001
+66007,Please optimize the molecule Cc1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2F)n1CC(N)=O to have a higher MR value.,Cc1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2F)n1CC(N)=O,79.96090000000001
+106166,Please optimize the molecule C[C@H]1CN(c2ccc([N-]S(=O)(=O)/C=C/c3ccccc3)cc2F)C[C@@H](C)O1 to have a higher MR value.,C[C@H]1CN(c2ccc([N-]S(=O)(=O)/C=C/c3ccccc3)cc2F)C[C@@H](C)O1,106.03680000000004
+68446,Modify the molecule O=C(Nc1ccccc1)[C@@H]1CCC[NH+](C[C@H](O)c2ccc3c(c2)OCO3)C1 to increase its MR value.,O=C(Nc1ccccc1)[C@@H]1CCC[NH+](C[C@H](O)c2ccc3c(c2)OCO3)C1,100.88420000000005
+177189,Modify the molecule CC[NH2+][C@@H]1CCN([C@@H](C)c2ccc(C)cc2)[C@H](C)[C@@H]1C to have a lower MR value.,CC[NH2+][C@@H]1CCN([C@@H](C)c2ccc(C)cc2)[C@H](C)[C@@H]1C,85.79740000000007
+64894,Modify the molecule C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2nncn2C2CC2)CC1 to increase its MR value.,C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2nncn2C2CC2)CC1,95.13840000000006
+58163,Modify the molecule C[C@@H](C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)S(C)(=O)=O to have a lower MR value.,C[C@@H](C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)S(C)(=O)=O,96.84580000000005
+193135,Modify the molecule CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 to decrease its MR value.,CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1,88.52640000000005
+116567,Optimize the molecule COc1ccc(CCC(=O)Nc2ccc(OC(F)F)cc2)cc1 to have a higher MR value.,COc1ccc(CCC(=O)Nc2ccc(OC(F)F)cc2)cc1,83.01870000000004
+76564,Please optimize the molecule CN(C)c1ncncc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl to have a lower MR value.,CN(C)c1ncncc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl,82.41860000000001
+92779,Please modify the molecule CS(=O)(=O)N1CCC[C@@H](COC(=O)Cn2ccc(N)n2)C1 to increase its MR value.,CS(=O)(=O)N1CCC[C@@H](COC(=O)Cn2ccc(N)n2)C1,76.73920000000003
+223830,Please optimize the molecule CCn1nc(C)c(NC(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)c1C to have a lower MR value.,CCn1nc(C)c(NC(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)c1C,93.46640000000004
+227742,Please optimize the molecule N#Cc1cc(N)c(O)cc1C#N to have a higher MR value.,N#Cc1cc(N)c(O)cc1C#N,41.949200000000005
+72989,Please modify the molecule C[NH+](C)CCCNC(=O)C1=CC=CC2=CC=N[C@H]21 to decrease its MR value.,C[NH+](C)CCCNC(=O)C1=CC=CC2=CC=N[C@H]21,72.89040000000001
+100331,Modify the molecule C#CCNC(=O)COc1c(C=O)cc(Cl)c2ccccc12 to decrease its MR value.,C#CCNC(=O)COc1c(C=O)cc(Cl)c2ccccc12,81.68320000000003
+153046,Please optimize the molecule O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 to have a lower MR value.,O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1,70.63180000000003
+134272,Please optimize the molecule O=C(c1csc(-c2ccccc2)n1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 to have a lower MR value.,O=C(c1csc(-c2ccccc2)n1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1,116.34150000000001
+28898,Please modify the molecule O=C(Nc1ccccc1OC(F)F)N1CCN(C(=O)C2CCCC2)CC1 to decrease its MR value.,O=C(Nc1ccccc1OC(F)F)N1CCN(C(=O)C2CCCC2)CC1,92.20370000000004
+52329,Please modify the molecule CC[NH+]1CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)CC1 to decrease its MR value.,CC[NH+]1CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)CC1,99.25090000000003
+204592,Please optimize the molecule CCN1CC2(CCC1=O)CC[NH+](Cc1nc(C(F)(F)F)no1)CC2 to have a lower MR value.,CCN1CC2(CCC1=O)CC[NH+](Cc1nc(C(F)(F)F)no1)CC2,76.85570000000003
+85919,Modify the molecule C[C@@]1(O)CC([O-])=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1 to have a higher MR value.,C[C@@]1(O)CC([O-])=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1,129.4137
+156097,Optimize the molecule CN(C)C(=O)NCC(=O)N(C)Cc1cccc(-n2cccn2)c1 to have a lower MR value.,CN(C)C(=O)NCC(=O)N(C)Cc1cccc(-n2cccn2)c1,87.12370000000004
+229465,Please modify the molecule Fc1ccc2c(c1)[C@@H](SC1=NCCS1)CC2 to decrease its MR value.,Fc1ccc2c(c1)[C@@H](SC1=NCCS1)CC2,69.81300000000002
+239557,Optimize the molecule CCn1cc(C(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)c(C)n1 to have a lower MR value.,CCn1cc(C(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)c(C)n1,115.39720000000004
+116626,Optimize the molecule O=C(OCC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl to have a higher MR value.,O=C(OCC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl,102.89730000000003
+244978,Modify the molecule C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1Cc1cn(C)nc1-c1cccnc1 to decrease its MR value.,C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1Cc1cn(C)nc1-c1cccnc1,106.04100000000003
+206209,Modify the molecule COc1ccc(F)cc1NC(=O)c1cccc(OC[C@H]2CCCO2)c1 to have a higher MR value.,COc1ccc(F)cc1NC(=O)c1cccc(OC[C@H]2CCCO2)c1,91.81620000000004
+228703,Please modify the molecule COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C)on1)CC2 to decrease its MR value.,COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C)on1)CC2,70.92540000000002
+115527,Optimize the molecule Cc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 to have a higher MR value.,Cc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1ccc2c(c1)OCCO2,112.73970000000003
+31120,Modify the molecule Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 to have a lower MR value.,Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1,109.46740000000003
+196394,Please optimize the molecule COc1ccc(-c2cc(=O)n(CC(=O)NCc3ccc(Cl)cc3)cn2)cc1 to have a higher MR value.,COc1ccc(-c2cc(=O)n(CC(=O)NCc3ccc(Cl)cc3)cn2)cc1,103.7837
+245705,Optimize the molecule Cc1ccccc1CCC[NH+]1CCSCC1 to have a lower MR value.,Cc1ccccc1CCC[NH+]1CCSCC1,72.38870000000004
+73952,Modify the molecule CC(C)C[C@H](C)CC(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 to have a higher MR value.,CC(C)C[C@H](C)CC(=O)N1CCCc2cc(S(C)(=O)=O)ccc21,93.46180000000007
+133820,Modify the molecule CN1C[C@H](NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CCC1=O to have a higher MR value.,CN1C[C@H](NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CCC1=O,94.15040000000005
+64892,Modify the molecule Cc1cccc(S(=O)(=O)Cc2ncoc2C(C)C)c1 to decrease its MR value.,Cc1cccc(S(=O)(=O)Cc2ncoc2C(C)C)c1,72.66080000000004
+186915,Optimize the molecule CN(C)c1ccc([C@@H]2C[C@@H]2CO)cc1 to have a lower MR value.,CN(C)c1ccc([C@@H]2C[C@@H]2CO)cc1,58.70280000000004
+36360,Modify the molecule COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1 to have a lower MR value.,COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1,88.65960000000004
+135071,Modify the molecule C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 to decrease its MR value.,C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1,79.88220000000007
+171127,Modify the molecule CCn1nc(-c2ccccc2Cl)nc2c(=O)n(C)c(=O)nc1-2 to have a higher MR value.,CCn1nc(-c2ccccc2Cl)nc2c(=O)n(C)c(=O)nc1-2,82.07000000000002
+173950,Please optimize the molecule C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)CCn1ccccc1=O to have a lower MR value.,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)CCn1ccccc1=O,98.89600000000007
+209986,Modify the molecule O=C(COc1ccccc1F)N/N=C/c1ccccc1O to have a lower MR value.,O=C(COc1ccccc1F)N/N=C/c1ccccc1O,75.73850000000002
+155755,Modify the molecule CCOc1ccc(N[C@H](c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)cc1 to have a higher MR value.,CCOc1ccc(N[C@H](c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)cc1,109.21069999999999
+91972,Modify the molecule O=C(Nn1cnc2ccccc2c1=O)[C@@H]1SCCc2ccccc21 to increase its MR value.,O=C(Nn1cnc2ccccc2c1=O)[C@@H]1SCCc2ccccc21,95.71570000000001
+19547,Modify the molecule c1ccc(N2CC[C@H](C[NH2+]Cc3cc[nH]c3)C2)cc1 to increase its MR value.,c1ccc(N2CC[C@H](C[NH2+]Cc3cc[nH]c3)C2)cc1,78.05110000000003
+74082,Please modify the molecule C[C@H]1CC[C@@H](C)CN1C(=O)Nc1cc(C#N)ccc1Cl to decrease its MR value.,C[C@H]1CC[C@@H](C)CN1C(=O)Nc1cc(C#N)ccc1Cl,79.75170000000003
+51561,Modify the molecule C[C@@H]1CN(C(=O)c2ccnc(OC(C)(C)C)c2)C[C@H](c2ccc(F)cc2)O1 to decrease its MR value.,C[C@@H]1CN(C(=O)c2ccnc(OC(C)(C)C)c2)C[C@H](c2ccc(F)cc2)O1,100.20950000000006
+220009,Modify the molecule C[C@H]1C[C@@H]1c1ccc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)o1 to have a higher MR value.,C[C@H]1C[C@@H]1c1ccc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)o1,94.14280000000005
+110598,Please modify the molecule CC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 to decrease its MR value.,CC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3,80.31200000000004
+74910,Modify the molecule C[C@H](Sc1ccccn1)C(=O)NNc1cccc(Cl)c1 to decrease its MR value.,C[C@H](Sc1ccccn1)C(=O)NNc1cccc(Cl)c1,82.77340000000002
+225004,Modify the molecule C[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 to have a lower MR value.,C[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21,56.314400000000035
+128506,Modify the molecule COc1cc(-c2nc3n(n2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N3)cc(OC)c1OC to have a higher MR value.,COc1cc(-c2nc3n(n2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N3)cc(OC)c1OC,119.20170000000003
+244260,Modify the molecule Cc1cccc(-c2nnc3sc(CN4C(=O)c5ccccc5C4=O)nn23)c1 to decrease its MR value.,Cc1cccc(-c2nnc3sc(CN4C(=O)c5ccccc5C4=O)nn23)c1,99.47800000000002
+195142,Modify the molecule Cc1csc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 to have a higher MR value.,Cc1csc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1,93.42670000000004
+47117,Please optimize the molecule Cn1cc(C#N)cc1C(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2 to have a lower MR value.,Cn1cc(C#N)cc1C(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2,76.01620000000004
+35372,Please optimize the molecule C[NH+](C)Cc1cccc(CNC(=O)NC[C@@]2(O)CCCc3ccccc32)c1 to have a higher MR value.,C[NH+](C)Cc1cccc(CNC(=O)NC[C@@]2(O)CCCc3ccccc32)c1,106.47190000000003
+162976,Please modify the molecule CC(C)c1nn(C)c2sc(C(=O)Nc3ccnc4ccnn34)cc12 to increase its MR value.,CC(C)c1nn(C)c2sc(C(=O)Nc3ccnc4ccnn34)cc12,93.62020000000003
+72894,Modify the molecule Cc1nn(C)c(C)c1-c1ccnc(NCCOCc2ccc(Cl)cc2)n1 to increase its MR value.,Cc1nn(C)c(C)c1-c1ccnc(NCCOCc2ccc(Cl)cc2)n1,103.30570000000003
+79266,Please optimize the molecule C[C@](O)(CNC(=O)c1ccccc1Br)C1CC1 to have a higher MR value.,C[C@](O)(CNC(=O)c1ccccc1Br)C1CC1,69.82300000000004
+174745,Modify the molecule O=C1CN(Cc2cccc3cccnc23)C[C@H](OCc2ccccn2)CN1C1CCCCC1 to decrease its MR value.,O=C1CN(Cc2cccc3cccnc23)C[C@H](OCc2ccccn2)CN1C1CCCCC1,128.42000000000004
+208431,Please modify the molecule COc1cc(-c2nn(C[NH+](C)[C@H]3CCCc4ccccc43)c(=S)o2)cc(OC)c1OC to increase its MR value.,COc1cc(-c2nn(C[NH+](C)[C@H]3CCCc4ccccc43)c(=S)o2)cc(OC)c1OC,119.42670000000004
+40395,Please optimize the molecule O=C(CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1)N1CCN(Cc2ccccc2)CC1 to have a higher MR value.,O=C(CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1)N1CCN(Cc2ccccc2)CC1,126.72320000000003
+240640,Please optimize the molecule O=C1CCCN1CCC(=O)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 to have a lower MR value.,O=C1CCCN1CCC(=O)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1,76.34420000000004
+3825,Modify the molecule CC[NH2+]CCc1c[nH]c2c(Cl)cccc12 to increase its MR value.,CC[NH2+]CCc1c[nH]c2c(Cl)cccc12,64.34610000000002
+159775,Optimize the molecule CC[C@H]1CS/C(=N\c2ccccc2)N1 to have a higher MR value.,CC[C@H]1CS/C(=N\c2ccccc2)N1,63.20970000000003
+8203,Modify the molecule C=CC[NH+]1CCCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 to decrease its MR value.,C=CC[NH+]1CCCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1,113.26920000000005
+5665,Modify the molecule Cn1c(=N)n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21 to increase its MR value.,Cn1c(=N)n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21,116.60100000000004
+44070,Please optimize the molecule CCC[NH2+][C@@H]1CC[C@H](N2CC[NH+](C)[C@H](CC)C2)C1 to have a higher MR value.,CCC[NH2+][C@@H]1CC[C@H](N2CC[NH+](C)[C@H](CC)C2)C1,75.91610000000006
+176835,Optimize the molecule C[C@H](NC(=O)N1CCCC1(C)C)c1nc(C2CCCC2)no1 to have a higher MR value.,C[C@H](NC(=O)N1CCCC1(C)C)c1nc(C2CCCC2)no1,82.47270000000005
+82168,Optimize the molecule Cc1cccc2c(=O)c(NC(=O)N3CCN(c4ccccc4)CC3)c[nH]c12 to have a lower MR value.,Cc1cccc2c(=O)c(NC(=O)N3CCN(c4ccccc4)CC3)c[nH]c12,108.55240000000003
+4785,Modify the molecule CSc1ccc(/C=N\NC(=O)Cc2c(O)n[nH]c2C)cc1 to increase its MR value.,CSc1ccc(/C=N\NC(=O)Cc2c(O)n[nH]c2C)cc1,82.65320000000001
+66131,Optimize the molecule C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)N1CCNC1=O to have a lower MR value.,C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)N1CCNC1=O,77.22170000000003
+201531,Please modify the molecule Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 to increase its MR value.,Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1,125.91540000000002
+141771,Modify the molecule CC1(C)C[C@@H](n2c(=O)c3c4c(sc3n(CC(N)=O)c2=O)CCC4)CCO1 to have a lower MR value.,CC1(C)C[C@@H](n2c(=O)c3c4c(sc3n(CC(N)=O)c2=O)CCC4)CCO1,99.86640000000003
+111539,Modify the molecule Cc1ccccc1Nc1nc(N)nc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 to have a higher MR value.,Cc1ccccc1Nc1nc(N)nc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1,123.13510000000002
+145475,Please modify the molecule CC(C)c1ccc(CN2CC[NH+](Cn3nc(C[C@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1 to increase its MR value.,CC(C)c1ccc(CN2CC[NH+](Cn3nc(C[C@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1,129.00150000000005
+156904,Optimize the molecule Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 to have a higher MR value.,Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1,92.11340000000004
+92362,Optimize the molecule CCOc1cc2c(cc1NC(=O)C=C1CCSCC1)O[C@@H](C)C2 to have a higher MR value.,CCOc1cc2c(cc1NC(=O)C=C1CCSCC1)O[C@@H](C)C2,94.67670000000004
+202687,Modify the molecule CSc1cccc2sc(N3CCN(C(=O)Cc4ccccc4Cl)CC3)nc12 to increase its MR value.,CSc1cccc2sc(N3CCN(C(=O)Cc4ccccc4Cl)CC3)nc12,115.35000000000004
+57274,Modify the molecule C[C@@H]1CCc2c(C(=O)Nc3ccc4c(c3)NC(=O)CS4)csc2C1 to have a higher MR value.,C[C@@H]1CCc2c(C(=O)Nc3ccc4c(c3)NC(=O)CS4)csc2C1,99.25690000000003
+83013,Modify the molecule CCOC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 to have a lower MR value.,CCOC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1,100.70890000000003
+164529,Please optimize the molecule Cc1ccc(C(=O)C2CCN(c3ncccc3C#N)CC2)c(C)c1 to have a higher MR value.,Cc1ccc(C(=O)C2CCN(c3ncccc3C#N)CC2)c(C)c1,94.13550000000004
+165871,Please modify the molecule Nc1c(C[NH+]2CCCCCC2)c(=O)oc2ccccc12 to decrease its MR value.,Nc1c(C[NH+]2CCCCCC2)c(=O)oc2ccccc12,79.76510000000003
+100200,Modify the molecule CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 to decrease its MR value.,CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21,140.9318999999999
+114686,Modify the molecule CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N[C@H]1CCS(=O)(=O)C1 to have a lower MR value.,CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N[C@H]1CCS(=O)(=O)C1,108.87220000000005
+163785,Optimize the molecule COc1ccc(NC(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)cc1 to have a higher MR value.,COc1ccc(NC(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)cc1,82.74840000000005
+232028,Please modify the molecule Cc1cccc(C(C)(C)NC(=O)Nc2cccc(N3CCNC3=O)c2)c1 to decrease its MR value.,Cc1cccc(C(C)(C)NC(=O)Nc2cccc(N3CCNC3=O)c2)c1,103.54610000000004
+28147,Optimize the molecule O=C1CN(C(=O)COC(=O)c2cccc(Br)c2)c2ccccc2N1 to have a higher MR value.,O=C1CN(C(=O)COC(=O)c2cccc(Br)c2)c2ccccc2N1,91.84920000000001
+218399,Modify the molecule Cc1noc(C)c1CCC(=O)Nc1ccc(F)c(F)c1F to have a higher MR value.,Cc1noc(C)c1CCC(=O)Nc1ccc(F)c(F)c1F,69.2437
+67285,Modify the molecule CC[C@H](Cc1ccccc1)NC(=O)c1cnn(CC)c1 to have a higher MR value.,CC[C@H](Cc1ccccc1)NC(=O)c1cnn(CC)c1,79.59220000000003
+206974,Modify the molecule Cc1ccc(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cn1 to increase its MR value.,Cc1ccc(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cn1,94.21020000000001
+161252,Please optimize the molecule O=C(CCOc1ccccc1)NNS(=O)(=O)c1cc(Cl)ccc1Cl to have a higher MR value.,O=C(CCOc1ccccc1)NNS(=O)(=O)c1cc(Cl)ccc1Cl,91.48020000000001
+43079,Please optimize the molecule CC(C)(C)[C@H]1CC[C@@H](O)[C@H]([C@@H]2CCOC3(CCC3)C2)C1 to have a lower MR value.,CC(C)(C)[C@H]1CC[C@@H](O)[C@H]([C@@H]2CCOC3(CCC3)C2)C1,81.55080000000007
+39442,Optimize the molecule C[C@@H]1SCCC[C@@]1(CC(=O)[O-])[NH+]1CCCC1 to have a higher MR value.,C[C@@H]1SCCC[C@@]1(CC(=O)[O-])[NH+]1CCCC1,63.43970000000004
+14161,Please optimize the molecule C[NH+](C1CCC([NH3+])CC1)[C@@H]1CCCC[C@@H]1O to have a higher MR value.,C[NH+](C1CCC([NH3+])CC1)[C@@H]1CCCC[C@@H]1O,64.08160000000004
+182999,Optimize the molecule C#CCOc1ccc2ccccc2c1C[NH+]1CCCC[C@H]1c1ncon1 to have a lower MR value.,C#CCOc1ccc2ccccc2c1C[NH+]1CCCC[C@H]1c1ncon1,98.69970000000004
+142613,Optimize the molecule CCn1cc(N=C=S)cn1 to have a higher MR value.,CCn1cc(N=C=S)cn1,42.58700000000002
+176482,Please modify the molecule O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)N1CCCCCC1 to decrease its MR value.,O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)N1CCCCCC1,100.97800000000004
+200337,Please optimize the molecule C[NH+]1CCN(C(C)(C)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1 to have a higher MR value.,C[NH+]1CCN(C(C)(C)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1,100.56080000000006
+136751,Modify the molecule COc1cc([C@H]2[NH2+]CCc3c2[nH]c2ccccc32)cc(OC)c1OC to have a lower MR value.,COc1cc([C@H]2[NH2+]CCc3c2[nH]c2ccccc32)cc(OC)c1OC,96.73610000000005
+214309,Please optimize the molecule N#CCN(CN1CCCCC1=O)C1CCCC1 to have a higher MR value.,N#CCN(CN1CCCCC1=O)C1CCCC1,65.00600000000004
+83185,Modify the molecule COc1cc([C@@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)ccc1O to have a lower MR value.,COc1cc([C@@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)ccc1O,110.1207
+246868,Modify the molecule N#Cc1c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)sc2c1CCC2 to have a higher MR value.,N#Cc1c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)sc2c1CCC2,106.01990000000004
+96565,Modify the molecule Cc1nc(Nc2cnccn2)cc([C@H]2CCC[NH+]2C2CCOCC2)n1 to have a lower MR value.,Cc1nc(Nc2cnccn2)cc([C@H]2CCC[NH+]2C2CCOCC2)n1,93.72940000000006
+88420,Please modify the molecule COc1ccc(-c2noc(CCC(=O)N(C)Cc3ccccc3F)n2)cc1 to increase its MR value.,COc1ccc(-c2noc(CCC(=O)N(C)Cc3ccccc3F)n2)cc1,97.48100000000004
+195698,Please optimize the molecule COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2cccc(Br)c2)cc1Cl to have a lower MR value.,COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2cccc(Br)c2)cc1Cl,102.10100000000001
+131621,Please modify the molecule O=C(N/N=C/c1ccccc1Cl)c1cc(C2CC2)nc2ccccc12 to increase its MR value.,O=C(N/N=C/c1ccccc1Cl)c1cc(C2CC2)nc2ccccc12,100.23020000000001
+14956,Please modify the molecule CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 to decrease its MR value.,CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1,95.43420000000003
+44320,Modify the molecule CC(C)(C)[C@H](O)CCNC(=O)CCc1ccc2c(c1)OCO2 to decrease its MR value.,CC(C)(C)[C@H](O)CCNC(=O)CCc1ccc2c(c1)OCO2,83.97450000000005
+54671,Please modify the molecule CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CC(C)(C)CC2=O)N1 to decrease its MR value.,CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CC(C)(C)CC2=O)N1,129.33480000000006
+1240,Modify the molecule CCCN[C@@]1(C#N)CC[C@@H](n2cc[nH+]c2CCC)C1 to increase its MR value.,CCCN[C@@]1(C#N)CC[C@@H](n2cc[nH+]c2CCC)C1,74.50840000000005
+207437,Optimize the molecule N#Cc1c(-c2cccn2-c2ncccn2)cc(-c2ccc(O)cc2)nc1N to have a higher MR value.,N#Cc1c(-c2cccn2-c2ncccn2)cc(-c2ccc(O)cc2)nc1N,100.81819999999999
+99724,Please modify the molecule O=C(CCSc1ccc(F)cc1)NNC(=O)NCc1ccncc1 to increase its MR value.,O=C(CCSc1ccc(F)cc1)NNC(=O)NCc1ccncc1,89.49210000000004
+170901,Please modify the molecule C[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)C2CC2)CC1 to decrease its MR value.,C[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)C2CC2)CC1,91.37170000000005
+12338,Optimize the molecule C[NH2+][C@H](c1ccc(C)s1)[C@H]1CN(C)CCO1 to have a higher MR value.,C[NH2+][C@H](c1ccc(C)s1)[C@H]1CN(C)CCO1,66.88340000000002
+235849,Optimize the molecule Cc1nc2c(c(=O)[nH]1)CN(C[C@H]1CCOc3ccccc3C1)C2 to have a higher MR value.,Cc1nc2c(c(=O)[nH]1)CN(C[C@H]1CCOc3ccccc3C1)C2,87.45670000000005
+32043,Optimize the molecule CN(CCOCC1CC1)C(=O)C1=NN(c2ccccc2)C(=O)CC1 to have a higher MR value.,CN(CCOCC1CC1)C(=O)C1=NN(c2ccccc2)C(=O)CC1,91.77700000000004
+242720,Please optimize the molecule CN(Cc1ccsc1)c1ccc(N)c(N)[nH+]1 to have a lower MR value.,CN(Cc1ccsc1)c1ccc(N)c(N)[nH+]1,68.24850000000002
+130403,Modify the molecule CC[NH+](CC)Cc1c([O-])ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O to decrease its MR value.,CC[NH+](CC)Cc1c([O-])ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O,96.02420000000005
+165405,Modify the molecule COCCCNC(=O)C(=O)c1c[nH]c2ccccc12 to have a lower MR value.,COCCCNC(=O)C(=O)c1c[nH]c2ccccc12,72.13190000000003
+116991,Please modify the molecule C[C@H]1CN(C[C@H](O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)C[C@@H](C)O1 to decrease its MR value.,C[C@H]1CN(C[C@H](O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)C[C@@H](C)O1,113.89480000000006
+193944,Modify the molecule C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1nc2ccc(Cl)cc2n1C to increase its MR value.,C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1nc2ccc(Cl)cc2n1C,84.52240000000003
+178237,Please modify the molecule Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cncc(C)c3)C2)cc1 to decrease its MR value.,Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cncc(C)c3)C2)cc1,102.16040000000002
+201825,Modify the molecule Cc1cc(C[NH+](CC(=O)[O-])C(C)(C)C)no1 to have a lower MR value.,Cc1cc(C[NH+](CC(=O)[O-])C(C)(C)C)no1,55.53370000000003
+137829,Modify the molecule CCc1cnc(C[NH+](Cc2cccs2)C[C@H]2CCCO2)o1 to have a higher MR value.,CCc1cnc(C[NH+](Cc2cccs2)C[C@H]2CCCO2)o1,82.41170000000005
+132594,Please optimize the molecule C[C@@H]1C[C@H]1NC(=O)NCc1cccc(C(N)=O)c1 to have a higher MR value.,C[C@@H]1C[C@H]1NC(=O)NCc1cccc(C(N)=O)c1,67.90030000000002
+235220,Optimize the molecule CCOCc1ccc(C(=O)N2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1 to have a higher MR value.,CCOCc1ccc(C(=O)N2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1,101.26590000000004
+74689,Please modify the molecule CN(C)/C=N/C(=S)N(C)C to increase its MR value.,CN(C)/C=N/C(=S)N(C)C,48.46400000000003
+160075,Please modify the molecule Cc1ccc(NC(=O)c2csc(Br)c2)c(C(=O)[O-])c1 to increase its MR value.,Cc1ccc(NC(=O)c2csc(Br)c2)c(C(=O)[O-])c1,75.48170000000002
+5441,Please optimize the molecule CCNC(=O)c1ccc(Cl)nn1 to have a higher MR value.,CCNC(=O)c1ccc(Cl)nn1,45.04920000000001
+227569,Modify the molecule O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1cccs1 to increase its MR value.,O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1cccs1,89.95220000000003
+236160,Please modify the molecule C[C@@H](c1ccccc1)[C@@H](O)[C@]1(C[NH3+])CCOC1 to increase its MR value.,C[C@@H](c1ccccc1)[C@@H](O)[C@]1(C[NH3+])CCOC1,66.48790000000004
+71957,Please optimize the molecule CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2Oc2ccccc21 to have a higher MR value.,CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2Oc2ccccc21,109.7849
+157698,Please optimize the molecule O=C(NC[C@@H]1CCC[NH+]2CCCC[C@H]12)C(=O)Nc1ccc(C(F)(F)F)nc1 to have a higher MR value.,O=C(NC[C@@H]1CCC[NH+]2CCCC[C@H]12)C(=O)Nc1ccc(C(F)(F)F)nc1,91.93810000000003
+47043,Optimize the molecule CC[C@@H](C)c1ccccc1Oc1nc(Cl)ncc1F to have a higher MR value.,CC[C@@H](C)c1ccccc1Oc1nc(Cl)ncc1F,72.22200000000004
+180906,Modify the molecule CCc1nn(C)c(N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] to have a lower MR value.,CCc1nn(C)c(N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-],100.76640000000006
+112948,Modify the molecule COc1ccc(C(=O)N(C)Cc2ccc(Br)o2)cc1OC to have a lower MR value.,COc1ccc(C(=O)N(C)Cc2ccc(Br)o2)cc1OC,81.75150000000004
+90740,Modify the molecule CCS(=O)(=O)CCC[C@]1(C#N)CCCC(C)(C)C1=O to have a lower MR value.,CCS(=O)(=O)CCC[C@]1(C#N)CCCC(C)(C)C1=O,74.24680000000005
+179432,Please modify the molecule O=C(NC[C@H]1CCC[NH+](Cc2cc[nH]c2)C1)c1ccccc1 to decrease its MR value.,O=C(NC[C@H]1CCC[NH+](Cc2cc[nH]c2)C1)c1ccccc1,86.69260000000004
+198644,Modify the molecule Cc1cccc(NC(=O)Nc2cc(C)nn2Cc2ccccc2)c1 to decrease its MR value.,Cc1cccc(NC(=O)Nc2cc(C)nn2Cc2ccccc2)c1,96.32840000000002
+28051,Please modify the molecule COc1ccc(CNC(=O)c2coc(-c3ccccc3)n2)c(OC)c1OC to decrease its MR value.,COc1ccc(CNC(=O)c2coc(-c3ccccc3)n2)c(OC)c1OC,99.20720000000004
+175907,Please optimize the molecule Cc1c(C)n(-c2cccnc2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 to have a higher MR value.,Cc1c(C)n(-c2cccnc2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12,124.06500000000003
+183567,Modify the molecule CC(C)c1ccc(NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1 to decrease its MR value.,CC(C)c1ccc(NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1,117.39920000000002
+20828,Please modify the molecule NS(=O)(=O)c1ccccc1NC(=O)CCl to increase its MR value.,NS(=O)(=O)c1ccccc1NC(=O)CCl,57.16490000000002
+67730,Optimize the molecule CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(F)c(F)c1F to have a lower MR value.,CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(F)c(F)c1F,62.11250000000001
+780,Please modify the molecule CC1CCN(C(=O)C[NH+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 to decrease its MR value.,CC1CCN(C(=O)C[NH+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1,96.52570000000006
+248626,Please modify the molecule COC[C@H](C)NC(=O)CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1 to decrease its MR value.,COC[C@H](C)NC(=O)CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1,98.68870000000004
+154326,Optimize the molecule c1ccc([C@H]2CCC[NH+](Cc3csc(-c4ncccn4)n3)CC2)cc1 to have a higher MR value.,c1ccc([C@H]2CCC[NH+](Cc3csc(-c4ncccn4)n3)CC2)cc1,100.57470000000004
+30329,Modify the molecule Cc1ccc(CC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)o1 to have a lower MR value.,Cc1ccc(CC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)o1,80.06750000000004
+66306,Modify the molecule CCOc1ccc(NC(=O)c2nn(C)c3c2CSc2ccc(C)cc2-3)cc1 to have a higher MR value.,CCOc1ccc(NC(=O)c2nn(C)c3c2CSc2ccc(C)cc2-3)cc1,108.5062
+164670,Please modify the molecule COc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1 to increase its MR value.,COc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1,113.1477
+169241,Modify the molecule O=C(NCC1CC1)c1cc2sccc2n1Cc1ccccc1F to have a higher MR value.,O=C(NCC1CC1)c1cc2sccc2n1Cc1ccccc1F,90.37420000000003
+104134,Modify the molecule CCc1ccc(NC(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)cc1 to have a lower MR value.,CCc1ccc(NC(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)cc1,100.2061
+240272,Modify the molecule CN(CC[NH2+][C@H]1CC(C)(C)OC1(C)C)S(=O)(=O)c1cccs1 to decrease its MR value.,CN(CC[NH2+][C@H]1CC(C)(C)OC1(C)C)S(=O)(=O)c1cccs1,88.57520000000007
+77586,Please modify the molecule Cc1c(C(=O)NCC(C2CC2)C2CC2)nnn1-c1cccc2cnccc12 to decrease its MR value.,Cc1c(C(=O)NCC(C2CC2)C2CC2)nnn1-c1cccc2cnccc12,102.66820000000003
+34674,Modify the molecule CC[C@H](CCO)C[NH2+]C[C@H]1CCC[NH+](C)C1 to have a lower MR value.,CC[C@H](CCO)C[NH2+]C[C@H]1CCC[NH+](C)C1,66.48790000000005
+28939,Please modify the molecule Clc1ncc2c(n1)NCCN2 to decrease its MR value.,Clc1ncc2c(n1)NCCN2,44.02140000000001
+153317,Please optimize the molecule Nc1ccccc1OCCCOc1ccc(Br)cc1 to have a higher MR value.,Nc1ccccc1OCCCOc1ccc(Br)cc1,80.60340000000004
+224348,Optimize the molecule O=S(=O)(Nc1nc2c(Br)cccc2s1)c1ccc(Cl)cc1 to have a lower MR value.,O=S(=O)(Nc1nc2c(Br)cccc2s1)c1ccc(Cl)cc1,89.58050000000001
+98008,Modify the molecule CC(C)C/[NH+]=C(\N)SCC(=O)N1[C@H](C)CCC[C@H]1C to have a lower MR value.,CC(C)C/[NH+]=C(\N)SCC(=O)N1[C@H](C)CCC[C@H]1C,81.94110000000005
+171307,Please optimize the molecule CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCc1c(C)nn(C)c1C to have a lower MR value.,CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCc1c(C)nn(C)c1C,83.76240000000006
+115221,Please modify the molecule C[NH+](CC1CCC1)C[C@H]1CCC(C)(C)C1=O to increase its MR value.,C[NH+](CC1CCC1)C[C@H]1CCC(C)(C)C1=O,65.47370000000005
+37232,Optimize the molecule COC1CCC([NH+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 to have a lower MR value.,COC1CCC([NH+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1,92.28570000000005
+146116,Modify the molecule C[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 to have a lower MR value.,C[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1cccc(F)c1)c1ccccn1,81.20840000000004
+14768,Please optimize the molecule CC(=O)C[C@@H]1CCCN1C(=O)C1CCCCCCC1 to have a lower MR value.,CC(=O)C[C@@H]1CCCN1C(=O)C1CCCCCCC1,75.84200000000006
+57306,Please optimize the molecule COc1ccc2c(c1)CCCN2C(=O)CNc1cccc(C#N)c1 to have a lower MR value.,COc1ccc2c(c1)CCCN2C(=O)CNc1cccc(C#N)c1,93.31470000000003
+52399,Please modify the molecule C=CC[NH+](CC(=O)[O-])[C@@H](C)c1c(F)cccc1F to increase its MR value.,C=CC[NH+](CC(=O)[O-])[C@@H](C)c1c(F)cccc1F,60.67370000000003
+207253,Modify the molecule O=C(c1ccc2nonc2c1)N1CCCC[C@@H]1CN1CCOCC1 to have a lower MR value.,O=C(c1ccc2nonc2c1)N1CCCC[C@@H]1CN1CCOCC1,87.73850000000004
+25753,Optimize the molecule O=C1C[C@@H](c2ccco2)CC2=Nc3ccccc3N3C(=O)c4ccccc4[C@@H]3[C@@H]12 to have a lower MR value.,O=C1C[C@@H](c2ccco2)CC2=Nc3ccccc3N3C(=O)c4ccccc4[C@@H]3[C@@H]12,108.70950000000002
+217342,Optimize the molecule C[C@@H](CCc1ccccc1)NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 to have a higher MR value.,C[C@@H](CCc1ccccc1)NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1,90.13010000000006
+236673,Modify the molecule CCNC(=O)N1CC[C@H](NC(=O)N2CCOC[C@H]2C2CC2)C1 to decrease its MR value.,CCNC(=O)N1CC[C@H](NC(=O)N2CCOC[C@H]2C2CC2)C1,81.61940000000006
+190215,Please optimize the molecule Cc1ccc(CCC2CCN(C(=O)C3C[C@H](C)O[C@@H](C)C3)CC2)cc1 to have a lower MR value.,Cc1ccc(CCC2CCN(C(=O)C3C[C@H](C)O[C@@H](C)C3)CC2)cc1,101.53700000000008
+53169,Modify the molecule C#CCNC(=O)CN1C(=O)N[C@@](C)(CCC)C1=O to have a higher MR value.,C#CCNC(=O)CN1C(=O)N[C@@](C)(CCC)C1=O,65.40040000000002
+151177,Modify the molecule CCc1cc(C#N)c(NC(=O)CCC(=O)N(CC)CC)s1 to have a lower MR value.,CCc1cc(C#N)c(NC(=O)CCC(=O)N(CC)CC)s1,84.20370000000004
+96128,Optimize the molecule Cc1cc(NC(=O)C(=O)NCc2cccnc2Oc2cccc(F)c2)no1 to have a higher MR value.,Cc1cc(NC(=O)C(=O)NCc2cccnc2Oc2cccc(F)c2)no1,92.42740000000003
+215500,Optimize the molecule COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 to have a higher MR value.,COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1,136.8369999999999
+111251,Optimize the molecule CCc1c(C(=O)N(C)CCCS(C)(=O)=O)[nH]c(C)c1C(C)=O to have a higher MR value.,CCc1c(C(=O)N(C)CCCS(C)(=O)=O)[nH]c(C)c1C(C)=O,86.20050000000003
+158895,Please optimize the molecule O=C(Nc1ccc(-n2cccn2)cc1)c1nc[nH]n1 to have a higher MR value.,O=C(Nc1ccc(-n2cccn2)cc1)c1nc[nH]n1,67.89990000000002
+60949,Optimize the molecule CC(C)CS(=O)(=O)[N-]c1cccc(Cn2nc3ccccn3c2=O)c1 to have a lower MR value.,CC(C)CS(=O)(=O)[N-]c1cccc(Cn2nc3ccccn3c2=O)c1,96.63980000000005
+215075,Please optimize the molecule CCc1cccc(C)c1NC(=O)NCc1cccc(OC)c1OC to have a lower MR value.,CCc1cccc(C)c1NC(=O)NCc1cccc(OC)c1OC,95.96140000000005
+47062,Modify the molecule CCN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 to have a lower MR value.,CCN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2,99.67100000000006
+211000,Optimize the molecule CCc1noc(CC)c1CNC(=O)Cc1cn2cccc(C)c2n1 to have a higher MR value.,CCc1noc(CC)c1CNC(=O)Cc1cn2cccc(C)c2n1,90.73870000000004
+161433,Modify the molecule Cc1cccc(N(Cc2cccc3ccccc23)C2=NC(=O)CS2)c1 to decrease its MR value.,Cc1cccc(N(Cc2cccc3ccccc23)C2=NC(=O)CS2)c1,106.21000000000005
+151747,Modify the molecule COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 to decrease its MR value.,COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1,96.65560000000002
+64369,Modify the molecule CN(C)c1ccc(C(=O)N2CCCC2)cn1 to increase its MR value.,CN(C)c1ccc(C(=O)N2CCCC2)cn1,63.70150000000003
+132788,Optimize the molecule C/C(=C/C(=O)NC(C)(C)C)NNC(=O)COc1cc(C)c(Cl)c(C)c1 to have a higher MR value.,C/C(=C/C(=O)NC(C)(C)C)NNC(=O)COc1cc(C)c(Cl)c(C)c1,99.35210000000004
+232519,Modify the molecule CSCC[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)C(=O)[O-] to decrease its MR value.,CSCC[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)C(=O)[O-],64.29810000000003
+66589,Modify the molecule O=C([C@H]1C[C@H]1c1ccco1)N(CCC(F)(F)F)C1CCC1 to have a higher MR value.,O=C([C@H]1C[C@H]1c1ccco1)N(CCC(F)(F)F)C1CCC1,69.58000000000003
+184204,Please optimize the molecule Cc1ccc2c(CC(=O)N(C)C[C@H](O)CN3CCOCC3)coc2c1 to have a lower MR value.,Cc1ccc2c(CC(=O)N(C)C[C@H](O)CN3CCOCC3)coc2c1,95.55780000000004
+144107,Optimize the molecule CC(C)(C)c1ccccc1O[C@@H]1O[C@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H](O)[C@@H]1O to have a lower MR value.,CC(C)(C)c1ccccc1O[C@@H]1O[C@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H](O)[C@@H]1O,98.71860000000007
+121200,Optimize the molecule Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 to have a lower MR value.,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1,99.60530000000006
+86811,Modify the molecule O=C(N[C@@H](CO)c1ccco1)[C@@H]1C[C@H]1c1ccccc1 to have a higher MR value.,O=C(N[C@@H](CO)c1ccco1)[C@@H]1C[C@H]1c1ccccc1,73.96750000000004
+116214,Modify the molecule C=CCc1cc(C[NH3+])cc(OC)c1OC(C)C to have a lower MR value.,C=CCc1cc(C[NH3+])cc(OC)c1OC(C)C,69.25110000000004
+64084,Modify the molecule CCn1c(CC2CC[NH+](Cc3nc4ccccc4nc3C)CC2)n[nH]c1=O to decrease its MR value.,CCn1c(CC2CC[NH+](Cc3nc4ccccc4nc3C)CC2)n[nH]c1=O,103.62540000000006
+40913,Please modify the molecule C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC[C@@H]2CCCO2)CC1 to decrease its MR value.,C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC[C@@H]2CCCO2)CC1,86.14540000000005
+216729,Modify the molecule COc1ccc(Br)c(NC(=O)NCc2ccccn2)c1 to decrease its MR value.,COc1ccc(Br)c(NC(=O)NCc2ccccn2)c1,80.78940000000003
+135472,Please modify the molecule CCc1nsc(N2CCCN(C(=O)c3cnc4ccc(C)cn34)CC2)n1 to increase its MR value.,CCc1nsc(N2CCCN(C(=O)c3cnc4ccc(C)cn34)CC2)n1,101.94950000000003
+20801,Modify the molecule CC1(C)[C@@H](CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)[C@H]1c1ccccc1 to increase its MR value.,CC1(C)[C@@H](CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)[C@H]1c1ccccc1,110.96340000000002
+182981,Modify the molecule CCC1CCC(NC(=O)N2CCOCC[C@H]2C)CC1 to have a higher MR value.,CCC1CCC(NC(=O)N2CCOCC[C@H]2C)CC1,76.17270000000005
+13776,Modify the molecule CCNC(=O)COc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1 to have a higher MR value.,CCNC(=O)COc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1,102.21740000000005
+142437,Modify the molecule C[NH2+]C[C@@H](C)OCc1cccnc1OC to have a higher MR value.,C[NH2+]C[C@@H](C)OCc1cccnc1OC,57.75640000000004
+102287,Please modify the molecule N#CCN(C(=O)c1cccc(F)c1Cl)C1CCCC1 to decrease its MR value.,N#CCN(C(=O)c1cccc(F)c1Cl)C1CCCC1,70.31550000000003
+164293,Please modify the molecule C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cnc2ccsc2c1 to increase its MR value.,C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cnc2ccsc2c1,89.83140000000004
+136723,Modify the molecule CC(C)[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1 to increase its MR value.,CC(C)[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1,68.01270000000004
+83007,Optimize the molecule C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)N1CCOCC1 to have a higher MR value.,C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)N1CCOCC1,73.54050000000002
+39617,Optimize the molecule O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 to have a higher MR value.,O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1,103.37980000000003
+73781,Modify the molecule C[C@H](O)c1cccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1 to have a lower MR value.,C[C@H](O)c1cccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1,85.52850000000004
+159572,Modify the molecule C[C@H]1CCC[C@H](C)N(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)C1 to have a higher MR value.,C[C@H]1CCC[C@H](C)N(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)C1,99.67570000000005
+213470,Modify the molecule CCOC(=O)N1CCC([NH2+][C@H]2C[C@H]3CCCc4cccc2c43)CC1 to increase its MR value.,CCOC(=O)N1CCC([NH2+][C@H]2C[C@H]3CCCc4cccc2c43)CC1,93.02140000000006
+164476,Modify the molecule O=C(CC1(O)CCCCC1)NNc1cccc(C(F)(F)F)n1 to have a lower MR value.,O=C(CC1(O)CCCCC1)NNc1cccc(C(F)(F)F)n1,73.65620000000003
+47841,Modify the molecule CCOc1ccc(NC(=O)N2CCC(Cn3cc[nH+]c3CC)CC2)cc1 to have a higher MR value.,CCOc1ccc(NC(=O)N2CCC(Cn3cc[nH+]c3CC)CC2)cc1,101.29240000000003
+125602,Modify the molecule O=C(OC[C@@H]1CC=CCC1)[C@H]1CCCN1C(=O)OCC(F)(F)F to have a higher MR value.,O=C(OC[C@@H]1CC=CCC1)[C@H]1CCCN1C(=O)OCC(F)(F)F,74.57100000000003
+57312,Please optimize the molecule N#CCCCC[S@@](=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 to have a lower MR value.,N#CCCCC[S@@](=O)Cc1csc(-c2ccc3c(c2)OCO3)n1,89.85040000000004
+98110,Modify the molecule O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccc1F to have a higher MR value.,O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccc1F,93.26170000000002
+62038,Modify the molecule Cc1ccncc1NC(=O)c1ccccc1[N+](=O)[O-] to decrease its MR value.,Cc1ccncc1NC(=O)c1ccccc1[N+](=O)[O-],70.02360000000002
+243932,Please modify the molecule Cc1cccc(C)c1N1C(=O)N(Cc2ccc(C#N)cc2)c2ccccc2S1(=O)=O to decrease its MR value.,Cc1cccc(C)c1N1C(=O)N(Cc2ccc(C#N)cc2)c2ccccc2S1(=O)=O,114.75880000000001
+115417,Please modify the molecule COC(=O)[C@@H](NC(=O)c1cc(OC)cs1)c1ccc(F)c(F)c1 to decrease its MR value.,COC(=O)[C@@H](NC(=O)c1cc(OC)cs1)c1ccc(F)c(F)c1,79.45220000000002
+213542,Modify the molecule NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)cc1 to have a lower MR value.,NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)cc1,97.21520000000002
+138635,Modify the molecule CN(C)C(=O)CN(C)C(=O)[C@H]1CSC[NH2+]1 to decrease its MR value.,CN(C)C(=O)CN(C)C(=O)[C@H]1CSC[NH2+]1,59.369400000000034
+125131,Optimize the molecule O=[N+]([O-])c1ccc(-c2nc3sc4ccccc4n3c2C[NH+]2CC[NH2+]CC2)cc1 to have a lower MR value.,O=[N+]([O-])c1ccc(-c2nc3sc4ccccc4n3c2C[NH+]2CC[NH2+]CC2)cc1,108.72550000000004
+113805,Please modify the molecule CCn1ncnc1C[C@@H](C[NH3+])c1cccc(Cl)c1 to decrease its MR value.,CCn1ncnc1C[C@@H](C[NH3+])c1cccc(Cl)c1,71.34810000000003
+174047,Optimize the molecule C#CCN1CCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1 to have a lower MR value.,C#CCN1CCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1,91.26750000000006
+225492,Please modify the molecule COc1cccc([C@@H]2C[C@@H](c3ccc(C)cc3)Nc3nnnn32)c1OC(F)F to increase its MR value.,COc1cccc([C@@H]2C[C@@H](c3ccc(C)cc3)Nc3nnnn32)c1OC(F)F,97.74170000000004
+174254,Modify the molecule O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)[NH+]1CCCCCC1)OCCO3 to decrease its MR value.,O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)[NH+]1CCCCCC1)OCCO3,126.50540000000007
+52742,Optimize the molecule O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1cccc(F)c1 to have a lower MR value.,O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1cccc(F)c1,88.55750000000005
+18289,Please optimize the molecule CCOc1cc2[nH+]ccc(Nc3ccc(C(=O)[O-])cc3)c2cc1OCC to have a lower MR value.,CCOc1cc2[nH+]ccc(Nc3ccc(C(=O)[O-])cc3)c2cc1OCC,96.89690000000003
+214560,Modify the molecule Cc1nn(CCCl)c(C)c1C(=O)N1CCN(C(=O)N(C)C)CC1 to increase its MR value.,Cc1nn(CCCl)c(C)c1C(=O)N1CCN(C(=O)N(C)C)CC1,88.98050000000005
+215850,Optimize the molecule CC(C)COc1ccccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[NH+]2C to have a higher MR value.,CC(C)COc1ccccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[NH+]2C,95.68040000000006
+113655,Modify the molecule O=C(NCc1ccnc(OCC(F)F)c1)NC1CCCCCC1 to have a higher MR value.,O=C(NCc1ccnc(OCC(F)F)c1)NC1CCCCCC1,82.59740000000004
+226781,Optimize the molecule CNC(=O)c1cccc(NC[C@@H](O)C[NH+]2CCc3ccccc3C2)n1 to have a higher MR value.,CNC(=O)c1cccc(NC[C@@H](O)C[NH+]2CCc3ccccc3C2)n1,96.67040000000004
+82720,Modify the molecule C[C@H](N[C@@H]1N=NC(=O)NC1=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl to have a lower MR value.,C[C@H](N[C@@H]1N=NC(=O)NC1=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl,86.9791
+156004,Please optimize the molecule C[C@H](CO)CS(=O)(=O)Cc1csc(-c2ccoc2)n1 to have a lower MR value.,C[C@H](CO)CS(=O)(=O)Cc1csc(-c2ccoc2)n1,73.55660000000003
+46108,Please modify the molecule CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 to decrease its MR value.,CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1,99.96150000000003
+154263,Modify the molecule CCCCC1CCC(C(=O)Oc2cccc(-n3cnnn3)c2)CC1 to have a lower MR value.,CCCCC1CCC(C(=O)Oc2cccc(-n3cnnn3)c2)CC1,89.76200000000004
+113242,Modify the molecule CCCCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 to have a lower MR value.,CCCCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1,86.39400000000005
+78262,Optimize the molecule CCS[C@@H]1CCCC[NH+](Cc2cn(C)nc2-c2ccncc2)C1 to have a higher MR value.,CCS[C@@H]1CCCC[NH+](Cc2cn(C)nc2-c2ccncc2)C1,96.61070000000005
+202992,Modify the molecule COCc1nc(C)cc(N(C)CCc2ccccc2)n1 to decrease its MR value.,COCc1nc(C)cc(N(C)CCc2ccccc2)n1,80.89800000000005
+182352,Please modify the molecule Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1cccc(C(N)=O)c1 to decrease its MR value.,Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1cccc(C(N)=O)c1,89.59560000000003
+97489,Modify the molecule CCNS(=O)(=O)[C@@H]1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)C1 to have a lower MR value.,CCNS(=O)(=O)[C@@H]1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)C1,100.33690000000006
+66101,Modify the molecule Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 to have a higher MR value.,Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1,87.76810000000003
+222852,Please modify the molecule CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 to decrease its MR value.,CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1,95.07000000000006
+209389,Modify the molecule Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)C(C)(C)C to increase its MR value.,Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)C(C)(C)C,100.36060000000005
+224923,Modify the molecule CCO[C@@H]1C[C@H](N/C(NCc2ncnn2C)=[NH+]\C)C12CCCCC2 to decrease its MR value.,CCO[C@@H]1C[C@H](N/C(NCc2ncnn2C)=[NH+]\C)C12CCCCC2,92.20910000000005
+205085,Please modify the molecule CCOCCC[C@]1(O)C[C@@H]1C to increase its MR value.,CCOCCC[C@]1(O)C[C@@H]1C,44.45780000000002
+140486,Please modify the molecule C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)c(Cl)c1 to decrease its MR value.,C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)c(Cl)c1,65.59710000000001
+130664,Optimize the molecule CC(C)NC(=O)C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccncc1 to have a lower MR value.,CC(C)NC(=O)C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccncc1,86.30440000000006
+61002,Modify the molecule CN(CC[C@H]1CCCC[NH+]1C)Cc1[nH+]ccn1C to have a lower MR value.,CN(CC[C@H]1CCCC[NH+]1C)Cc1[nH+]ccn1C,72.31240000000005
+191274,Optimize the molecule CCN(CC)C(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1 to have a lower MR value.,CCN(CC)C(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1,81.29240000000006
+97869,Modify the molecule COc1ccc(N2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1 to decrease its MR value.,COc1ccc(N2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1,118.89670000000001
+182836,Please optimize the molecule Cc1ccc(C(=O)NCc2nc3ccccc3s2)cc1[N+](=O)[O-] to have a lower MR value.,Cc1ccc(C(=O)NCc2nc3ccccc3s2)cc1[N+](=O)[O-],88.62360000000005
+22072,Optimize the molecule CC[C@@H](Nc1ncnc2c1cnn2CC(=O)OC)c1nccs1 to have a lower MR value.,CC[C@@H](Nc1ncnc2c1cnn2CC(=O)OC)c1nccs1,86.10770000000002
+79936,Modify the molecule COc1cc(Cl)cc(/C=N/NC(=O)[C@@H]2C=C(c3ccccc3)N=N2)c1O to have a lower MR value.,COc1cc(Cl)cc(/C=N/NC(=O)[C@@H]2C=C(c3ccccc3)N=N2)c1O,98.4685
+97164,Modify the molecule Cc1ccc(/[N+]([O-])=C/c2ccc(Br)cc2)cc1 to have a higher MR value.,Cc1ccc(/[N+]([O-])=C/c2ccc(Br)cc2)cc1,73.77440000000003
+179666,Modify the molecule COc1ccc(C(=O)C(=O)OCc2nc3ccccc3s2)cc1 to have a higher MR value.,COc1ccc(C(=O)C(=O)OCc2nc3ccccc3s2)cc1,86.74050000000003
+220527,Modify the molecule COc1ccc(CN(C)C(=O)c2nnn[n-]2)cc1F to have a lower MR value.,COc1ccc(CN(C)C(=O)c2nnn[n-]2)cc1F,61.89650000000001
+119679,Optimize the molecule CN(CC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1)C(=O)OC(C)(C)C to have a higher MR value.,CN(CC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1)C(=O)OC(C)(C)C,111.67270000000008
+74089,Modify the molecule C[C@H]1C[C@H]([C@]2(O)CCCCC2(C)C)CC[C@H]1C to decrease its MR value.,C[C@H]1C[C@H]([C@]2(O)CCCCC2(C)C)CC[C@H]1C,72.86780000000006
+102775,Optimize the molecule CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CN2CCOCC2)o1 to have a higher MR value.,CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CN2CCOCC2)o1,79.14070000000004
+196754,Modify the molecule CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@@H](Oc2cc(F)ccc2F)C1 to have a lower MR value.,CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@@H](Oc2cc(F)ccc2F)C1,69.42440000000003
+96241,Modify the molecule O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1O to increase its MR value.,O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1O,71.88450000000002
+240340,Modify the molecule CC1(C)CCN(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)C1 to have a lower MR value.,CC1(C)CCN(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)C1,71.42700000000004
+159799,Please modify the molecule CCNC(=O)[C@H]1CCN(C(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)C1 to increase its MR value.,CCNC(=O)[C@H]1CCN(C(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)C1,100.11690000000004
+198931,Please modify the molecule C[C@@H]1CCCC[C@@H]1OCc1cc(F)cc(Br)c1 to increase its MR value.,C[C@@H]1CCCC[C@@H]1OCc1cc(F)cc(Br)c1,70.30900000000004
+136915,Optimize the molecule C[C@@H](CNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1 to have a higher MR value.,C[C@@H](CNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1,102.71790000000001
+104166,Optimize the molecule O=C(NCc1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 to have a higher MR value.,O=C(NCc1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1,107.30820000000003
+64768,Modify the molecule O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)c1cnc2ccccc2n1 to decrease its MR value.,O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)c1cnc2ccccc2n1,76.60880000000003
+57222,Modify the molecule Clc1ccc(-c2noc3ncnc(Nc4ccc5c(c4)OCCO5)c23)cc1 to have a higher MR value.,Clc1ccc(-c2noc3ncnc(Nc4ccc5c(c4)OCCO5)c23)cc1,100.75970000000002
+85284,Please optimize the molecule Cc1nc(C)c(C[S@](=O)Cc2csc(-c3ccoc3)n2)s1 to have a lower MR value.,Cc1nc(C)c(C[S@](=O)Cc2csc(-c3ccoc3)n2)s1,86.95440000000004
+194027,Modify the molecule Cc1cccc(CNC(=O)NCc2cccc([N+]3=CCCC3)c2)c1 to increase its MR value.,Cc1cccc(CNC(=O)NCc2cccc([N+]3=CCCC3)c2)c1,96.78180000000003
+161589,Please optimize the molecule CCOc1ccc(C2=CCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC2)cc1 to have a higher MR value.,CCOc1ccc(C2=CCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC2)cc1,115.54400000000005
+115599,Modify the molecule O=C(C1CCCCC1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O to have a higher MR value.,O=C(C1CCCCC1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O,79.27480000000006
+218258,Modify the molecule CC(=O)c1c(F)cccc1NCCc1ccccc1[N+](=O)[O-] to have a lower MR value.,CC(=O)c1c(F)cccc1NCCc1ccccc1[N+](=O)[O-],81.69460000000004
+139421,Please optimize the molecule O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc(F)cc1F to have a lower MR value.,O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc(F)cc1F,95.23040000000002
+81720,Modify the molecule CCOC(=O)c1[nH]ncc1CN1C[C@H](c2ccccc2Cl)OC[C@@H]1C to decrease its MR value.,CCOC(=O)c1[nH]ncc1CN1C[C@H](c2ccccc2Cl)OC[C@@H]1C,94.56120000000006
+79665,Please modify the molecule CCCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 to decrease its MR value.,CCCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1,108.54580000000003
+63838,Modify the molecule COc1cccc(N2C(=S)S[C@@H]3C(=O)N=C(SCC(=O)Nc4ccc(Cl)cc4)N=C32)c1 to have a higher MR value.,COc1cccc(N2C(=S)S[C@@H]3C(=O)N=C(SCC(=O)Nc4ccc(Cl)cc4)N=C32)c1,131.86669999999992
+164528,Modify the molecule O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(F)cc1 to have a higher MR value.,O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(F)cc1,87.65970000000002
+201161,Please optimize the molecule CC(C)Oc1cccc([C@@H](C)NC(=O)NC2CC[NH+](CC(N)=O)CC2)c1 to have a lower MR value.,CC(C)Oc1cccc([C@@H](C)NC(=O)NC2CC[NH+](CC(N)=O)CC2)c1,100.06850000000004
+61740,Modify the molecule CNC(=O)COc1ccc(NC(=O)N[C@H](C)c2ncc(C)s2)cc1 to have a lower MR value.,CNC(=O)COc1ccc(NC(=O)N[C@H](C)c2ncc(C)s2)cc1,93.42410000000002
+151810,Modify the molecule CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc(Br)cc2F)C1 to have a higher MR value.,CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc(Br)cc2F)C1,94.22390000000006
+208388,Please optimize the molecule C[C@H]1C[C@H](C)CCN1C(=O)CSCc1ccccn1 to have a lower MR value.,C[C@H]1C[C@H](C)CCN1C(=O)CSCc1ccccn1,79.97200000000005
+162948,Optimize the molecule CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(C(=O)OC)cc1 to have a lower MR value.,CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(C(=O)OC)cc1,98.99970000000002
+227528,Optimize the molecule CN(C(=O)c1ccncc1C#CC[NH3+])C1CC1 to have a higher MR value.,CN(C(=O)c1ccncc1C#CC[NH3+])C1CC1,63.98560000000003
+5989,Please modify the molecule COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 to increase its MR value.,COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1,124.38180000000004
+205416,Optimize the molecule O=C([O-])c1ccccc1/N=C1\NS(=O)(=O)c2ccccc21 to have a higher MR value.,O=C([O-])c1ccccc1/N=C1\NS(=O)(=O)c2ccccc21,73.73300000000002
+166680,Modify the molecule COc1cccc(C(=O)N(C)CC(F)(F)F)c1F to have a lower MR value.,COc1cccc(C(=O)N(C)CC(F)(F)F)c1F,55.96750000000001
+138205,Optimize the molecule CCN(C(=O)c1ccsc1)c1cc(C)cc(C)c1 to have a lower MR value.,CCN(C(=O)c1ccsc1)c1cc(C)cc(C)c1,77.58550000000004
+163522,Modify the molecule CC1CCC2(CC1)[C@@H](C#N)C([O-])=NC(=S)[C@H]2C#N to have a higher MR value.,CC1CCC2(CC1)[C@@H](C#N)C([O-])=NC(=S)[C@H]2C#N,68.30400000000002
+15069,Modify the molecule CCSC1=NC(=O)[C@@H]2C(=N1)N=C(C)/C(=C(\[O-])OC)[C@@H]2c1ccc(O)cc1 to increase its MR value.,CCSC1=NC(=O)[C@@H]2C(=N1)N=C(C)/C(=C(\[O-])OC)[C@@H]2c1ccc(O)cc1,99.49080000000001
+149092,Optimize the molecule CCCC(=O)N1CCC[C@H]1C(=O)NCc1coc(-c2ccc(C)cc2)n1 to have a higher MR value.,CCCC(=O)N1CCC[C@H]1C(=O)NCc1coc(-c2ccc(C)cc2)n1,98.16570000000003
+72650,Modify the molecule C=CCCCN(C)C(=O)[C@H]1CCO[C@H]1C to decrease its MR value.,C=CCCCN(C)C(=O)[C@H]1CCO[C@H]1C,60.58900000000005
+240026,Optimize the molecule O=C(CCN1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[C@H](C2CC2)C1 to have a higher MR value.,O=C(CCN1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[C@H](C2CC2)C1,102.88040000000007
+188993,Please optimize the molecule CCOc1cccc(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)c1 to have a higher MR value.,CCOc1cccc(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)c1,96.30490000000006
+222046,Modify the molecule C[C@H]1CN(CC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C[C@H](C)O1 to increase its MR value.,C[C@H]1CN(CC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C[C@H](C)O1,104.54070000000004
+176535,Please optimize the molecule CCN(Cc1ccccn1)C(=O)C[C@@H](C)NC(=O)c1ccccc1 to have a higher MR value.,CCN(Cc1ccccn1)C(=O)C[C@@H](C)NC(=O)c1ccccc1,93.31520000000005
+208774,Please optimize the molecule Cc1cc(NC(=O)CCc2nc(-c3ccncc3)no2)ccc1Br to have a higher MR value.,Cc1cc(NC(=O)CCc2nc(-c3ccncc3)no2)ccc1Br,93.35870000000004
+208087,Modify the molecule Cc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O to decrease its MR value.,Cc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O,93.97620000000003
+112836,Optimize the molecule CCS[C@@H]1CC[C@H](N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 to have a lower MR value.,CCS[C@@H]1CC[C@H](N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1,96.07840000000006
+187651,Please optimize the molecule CSCC[C@@H](NC(=O)c1ccoc1C)c1nnc2ccccn12 to have a higher MR value.,CSCC[C@@H](NC(=O)c1ccoc1C)c1nnc2ccccn12,89.63820000000003
+197797,Modify the molecule Cc1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)no1 to increase its MR value.,Cc1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)no1,82.39370000000004
+71319,Optimize the molecule COC[C@H]1CCC[NH+](Cc2ccc(OCc3c(C)noc3C)cc2)C1 to have a higher MR value.,COC[C@H]1CCC[NH+](Cc2ccc(OCc3c(C)noc3C)cc2)C1,95.75170000000007
+152245,Modify the molecule C[C@H]1CCC[C@@H](N2C(=O)[C@H]3CCCN3C(=O)[C@H]2C)[C@@H]1C to have a lower MR value.,C[C@H]1CCC[C@@H](N2C(=O)[C@H]3CCCN3C(=O)[C@H]2C)[C@@H]1C,77.01000000000005
+166192,Modify the molecule CCOc1ccc2c(c1)CN(C(=O)Nc1nc(-c3cccnc3)cs1)CC2 to increase its MR value.,CCOc1ccc2c(c1)CN(C(=O)Nc1nc(-c3cccnc3)cs1)CC2,106.08870000000002
+73639,Please modify the molecule CCOc1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1 to increase its MR value.,CCOc1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1,104.99500000000003
+112918,Please optimize the molecule Cn1nnc2c(N3CCN(CC(=O)NCc4ccccc4Cl)CC3)ncnc21 to have a lower MR value.,Cn1nnc2c(N3CCN(CC(=O)NCc4ccccc4Cl)CC3)ncnc21,106.05070000000003
+204581,Optimize the molecule COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(C3[NH+]=c4ccccc4=[NH+]3)C2)c1 to have a higher MR value.,COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(C3[NH+]=c4ccccc4=[NH+]3)C2)c1,105.30110000000005
+207158,Modify the molecule CC(C)(C)C(=O)ON=C(c1cccs1)c1cccs1 to decrease its MR value.,CC(C)(C)C(=O)ON=C(c1cccs1)c1cccs1,79.82400000000004
+81819,Please optimize the molecule CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(F)cc1 to have a higher MR value.,CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(F)cc1,72.70520000000003
+8908,Modify the molecule Brc1cn2ccnc2c(N[C@@H]2CCc3ccccc3C2)n1 to have a lower MR value.,Brc1cn2ccnc2c(N[C@@H]2CCc3ccccc3C2)n1,86.56470000000003
+121653,Please optimize the molecule Cc1cc(O[C@@H](C)C(=O)OCC(F)(F)F)ccc1Cl to have a higher MR value.,Cc1cc(O[C@@H](C)C(=O)OCC(F)(F)F)ccc1Cl,63.29300000000002
+180252,Modify the molecule COc1ncccc1NC(=O)c1ccccc1F to decrease its MR value.,COc1ncccc1NC(=O)c1ccccc1F,65.14220000000002
+16819,Modify the molecule CC(C)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] to increase its MR value.,CC(C)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-],85.96110000000004
+98800,Please modify the molecule COc1cccc(/C=C/C(=O)N[C@@H]2C[C@H]2C)c1 to increase its MR value.,COc1cccc(/C=C/C(=O)N[C@@H]2C[C@H]2C)c1,67.73970000000003
+205228,Please optimize the molecule C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)n2)C1 to have a lower MR value.,C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)n2)C1,125.97220000000004
+197245,Please modify the molecule CC1CCC(C#N)([C@]2(O)CCc3ccccc32)CC1 to increase its MR value.,CC1CCC(C#N)([C@]2(O)CCc3ccccc32)CC1,74.33780000000004
+233784,Optimize the molecule CCCCOC(=O)N1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 to have a higher MR value.,CCCCOC(=O)N1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1,99.05870000000006
+141389,Modify the molecule Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C to increase its MR value.,Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C,135.22969999999992
+175701,Please optimize the molecule CC[C@@H]1CCC[C@H](OC(=O)COCC[NH3+])C1 to have a lower MR value.,CC[C@@H]1CCC[C@H](OC(=O)COCC[NH3+])C1,60.70310000000004
+103472,Please modify the molecule O=C(NCCCC(=O)N1CCCc2cccc(OC(F)F)c21)c1ccccc1 to decrease its MR value.,O=C(NCCCC(=O)N1CCCc2cccc(OC(F)F)c21)c1ccccc1,101.75720000000001
+102167,Please modify the molecule O=C1CCC[C@H](c2cnc3ccccc3c2)C1 to increase its MR value.,O=C1CCC[C@H](c2cnc3ccccc3c2)C1,67.95900000000003
+60952,Please optimize the molecule C[C@H](C(=O)[O-])N(C)C(=O)c1cc(C(F)(F)F)ccc1F to have a higher MR value.,C[C@H](C(=O)[O-])N(C)C(=O)c1cc(C(F)(F)F)ccc1F,57.96450000000001
+45589,Modify the molecule COC(=O)CC1CCN(C(=O)CCc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)CC1 to have a higher MR value.,COC(=O)CC1CCN(C(=O)CCc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)CC1,124.50700000000008
+57521,Optimize the molecule C[C@H](SCc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)C to have a higher MR value.,C[C@H](SCc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)C,93.79470000000006
+209243,Optimize the molecule CCOC(=O)c1ccc(N2C(=O)[C@@H](C)S(=O)(=O)[C@H]2c2ccccc2)cc1 to have a higher MR value.,CCOC(=O)c1ccc(N2C(=O)[C@@H](C)S(=O)(=O)[C@H]2c2ccccc2)cc1,97.44930000000004
+42148,Please optimize the molecule CC(=O)N(C)c1cccc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)c1 to have a lower MR value.,CC(=O)N(C)c1cccc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)c1,107.77140000000004
+45478,Please modify the molecule COc1ccccc1-c1nnc(SCCC(=O)[O-])o1 to decrease its MR value.,COc1ccccc1-c1nnc(SCCC(=O)[O-])o1,66.63400000000001
+4141,Modify the molecule O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2Cl)CC1 to have a lower MR value.,O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2Cl)CC1,95.60630000000005
+68154,Please modify the molecule CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 to increase its MR value.,CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1,132.77039999999997
+65252,Optimize the molecule CC(C)c1cc(=O)[nH]c(SCC(=O)[O-])n1 to have a lower MR value.,CC(C)c1cc(=O)[nH]c(SCC(=O)[O-])n1,54.677700000000016
+33236,Modify the molecule C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl to have a lower MR value.,C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl,84.22560000000003
+156553,Optimize the molecule COc1ccc(F)c(NCC(=O)NC2CCC(C)CC2)c1 to have a higher MR value.,COc1ccc(F)c(NCC(=O)NC2CCC(C)CC2)c1,81.00440000000005
+122726,Optimize the molecule CC[C@H](C)CN(C)c1ccccc1C=O to have a higher MR value.,CC[C@H](C)CN(C)c1ccccc1C=O,64.55450000000003
+89814,Modify the molecule CS(=O)(=O)CCCS(=O)(=O)Oc1cccc(Br)c1 to decrease its MR value.,CS(=O)(=O)CCCS(=O)(=O)Oc1cccc(Br)c1,72.88460000000003
+158892,Please optimize the molecule C[C@@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 to have a lower MR value.,C[C@@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1,104.57980000000002
+171493,Modify the molecule Cc1ccncc1NC(=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C to have a higher MR value.,Cc1ccncc1NC(=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C,94.47640000000004
+46851,Please modify the molecule O=C(NCCOC(=O)N(O)c1ccc(Cl)cc1)Oc1ccc(Cl)cc1Cl to decrease its MR value.,O=C(NCCOC(=O)N(O)c1ccc(Cl)cc1)Oc1ccc(Cl)cc1Cl,97.55420000000001
+202675,Optimize the molecule CNc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] to have a lower MR value.,CNc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-],106.03990000000002
+24944,Modify the molecule CN1CC(=O)N2CCN(Cc3nc4ccc(F)cc4[nH]3)C[C@H]2C1=O to have a lower MR value.,CN1CC(=O)N2CCN(Cc3nc4ccc(F)cc4[nH]3)C[C@H]2C1=O,84.46670000000003
+140195,Please modify the molecule C[C@@H](CCCO)NC(=O)c1ccc(-n2ccnc2)nc1 to increase its MR value.,C[C@@H](CCCO)NC(=O)c1ccc(-n2ccnc2)nc1,74.60700000000003
+42115,Please optimize the molecule CN1[C@H]2CC[C@@H]1C[NH+](CCCc1nc(CCl)cs1)CC2 to have a lower MR value.,CN1[C@H]2CC[C@@H]1C[NH+](CCCc1nc(CCl)cs1)CC2,84.74570000000006
+222093,Please modify the molecule O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc2c(c1)ncn2-c1ccccc1 to increase its MR value.,O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc2c(c1)ncn2-c1ccccc1,119.6022
+77691,Modify the molecule CC(=O)O/N=C1/CC(C)(C)Cc2onc(C)c21 to increase its MR value.,CC(=O)O/N=C1/CC(C)(C)Cc2onc(C)c21,61.64500000000003
+183,Modify the molecule CC[NH2+][C@@H](CC)c1ccccc1OCc1cccc(F)c1 to decrease its MR value.,CC[NH2+][C@@H](CC)c1ccccc1OCc1cccc(F)c1,82.67240000000005
+32565,Please modify the molecule CCCCC(=O)N1CSC[C@@H]1C(=O)NCCc1ccccc1F to decrease its MR value.,CCCCC(=O)N1CSC[C@@H]1C(=O)NCCc1ccccc1F,90.59770000000006
+243573,Modify the molecule C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)[C@H]1CCOC1 to decrease its MR value.,C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)[C@H]1CCOC1,90.39650000000005
+7338,Optimize the molecule O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 to have a higher MR value.,O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1,96.37020000000003
+51713,Modify the molecule CCC(=O)N1CCC[C@@H](C(=O)NCC(C)(C)c2cccc(C)c2)C1 to decrease its MR value.,CCC(=O)N1CCC[C@@H](C(=O)NCC(C)(C)c2cccc(C)c2)C1,96.80970000000008
+46562,Optimize the molecule C[C@H]1OCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl to have a lower MR value.,C[C@H]1OCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl,78.10140000000003
+171386,Optimize the molecule O=C(Cc1ccc(Cl)cc1)NN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O to have a higher MR value.,O=C(Cc1ccc(Cl)cc1)NN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O,80.02670000000003
+186545,Modify the molecule Cc1nn(C)c(C)c1CCC/[NH+]=C(/N)Nc1cccc2c1CCCC2 to have a lower MR value.,Cc1nn(C)c(C)c1CCC/[NH+]=C(/N)Nc1cccc2c1CCCC2,102.73380000000004
+115718,Please modify the molecule O=C(/C=C/c1c(Cl)nc2ccccn12)O[C@@H]1CCS(=O)(=O)C1 to increase its MR value.,O=C(/C=C/c1c(Cl)nc2ccccn12)O[C@@H]1CCS(=O)(=O)C1,82.38680000000002
+248820,Modify the molecule NC(=O)NC(=O)CCNc1c(F)cc([N+](=O)[O-])cc1Br to have a lower MR value.,NC(=O)NC(=O)CCNc1c(F)cc([N+](=O)[O-])cc1Br,71.58720000000001
+226739,Modify the molecule Cc1cc(C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 to increase its MR value.,Cc1cc(C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1,112.03850000000004
+111674,Optimize the molecule CC1CCN(C(=O)NCc2ccccc2Cn2cccn2)CC1 to have a higher MR value.,CC1CCN(C(=O)NCc2ccccc2Cn2cccn2)CC1,89.97770000000006
+197237,Optimize the molecule CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)OCCO2 to have a higher MR value.,CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)OCCO2,84.63950000000004
+11477,Please modify the molecule C[NH+](C)CCN(Cc1cccnc1)C(=O)c1cc2cccc(Cl)c2o1 to decrease its MR value.,C[NH+](C)CCN(Cc1cccnc1)C(=O)c1cc2cccc(Cl)c2o1,97.87920000000004
+75341,Optimize the molecule Cc1cccc([C@H]2CC(c3ccc(Br)s3)=Nc3ncnn32)c1 to have a higher MR value.,Cc1cccc([C@H]2CC(c3ccc(Br)s3)=Nc3ncnn32)c1,92.17300000000002
+137379,Please modify the molecule Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 to increase its MR value.,Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1,110.44350000000004
+74789,Optimize the molecule Cc1cc(Cl)ccc1NCc1cn(C)nc1-c1cccnc1 to have a lower MR value.,Cc1cc(Cl)ccc1NCc1cn(C)nc1-c1cccnc1,89.95470000000002
+215631,Modify the molecule Cc1ccc([C@@H](C)n2c(=S)[nH]c3cc(C)cnc32)cc1 to increase its MR value.,Cc1ccc([C@@H](C)n2c(=S)[nH]c3cc(C)cnc32)cc1,84.64670000000004
+244214,Please modify the molecule C[C@H]1CN(c2ccc(NC(=O)CCC3CCCC3)cc2)CCO1 to decrease its MR value.,C[C@H]1CN(c2ccc(NC(=O)CCC3CCCC3)cc2)CCO1,93.89070000000007
+6025,Modify the molecule COCc1cc(C[NH2+][C@@H](C)c2cnc(C)s2)ccc1F to have a higher MR value.,COCc1cc(C[NH2+][C@@H](C)c2cnc(C)s2)ccc1F,78.00840000000004
+141485,Please modify the molecule Cc1cccc(OC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 to increase its MR value.,Cc1cccc(OC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1,87.49170000000004
+146940,Optimize the molecule Cl[C@H](CCC1CCCCC1)Cc1ccccn1 to have a lower MR value.,Cl[C@H](CCC1CCCCC1)Cc1ccccn1,73.39100000000005
+118541,Modify the molecule CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2nnc(C)c(=O)n2N)cc1 to decrease its MR value.,CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2nnc(C)c(=O)n2N)cc1,98.87610000000002
+55576,Modify the molecule Cc1nccn1-c1cncc(N[C@@H]2CCCC[C@H]2n2cccn2)n1 to have a lower MR value.,Cc1nccn1-c1cncc(N[C@@H]2CCCC[C@H]2n2cccn2)n1,91.03370000000004
+9999,Modify the molecule CC1(C)CC(=O)C(C)(CCc2ccccc2)C(=O)C1 to increase its MR value.,CC1(C)CC(=O)C(C)(CCc2ccccc2)C(=O)C1,75.89900000000004
+141493,Please optimize the molecule CN1CC[NH+](C)C[C@H]1C[NH2+]Cc1ccc(C(=O)[O-])cn1 to have a higher MR value.,CN1CC[NH+](C)C[C@H]1C[NH2+]Cc1ccc(C(=O)[O-])cn1,72.10260000000004
+115486,Please modify the molecule COc1ccc(C)cc1NC(=O)c1ccc(SC)cc1OC to increase its MR value.,COc1ccc(C)cc1NC(=O)c1ccc(SC)cc1OC,90.45920000000004
+138006,Modify the molecule Cc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)n(C)n1 to have a lower MR value.,Cc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)n(C)n1,102.38190000000004
+115685,Please optimize the molecule CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 to have a lower MR value.,CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1,86.0159
+205887,Modify the molecule C=CCCO[C@@H]1CCC[C@@H]([NH3+])C1 to have a lower MR value.,C=CCCO[C@@H]1CCC[C@@H]([NH3+])C1,49.698100000000025
+103817,Modify the molecule O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(F)c1 to have a lower MR value.,O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(F)c1,112.8504
+29337,Modify the molecule CC[NH2+][C@@H](Cc1ccccn1)[C@@H]1CCOC2(CCC2)C1 to have a higher MR value.,CC[NH2+][C@@H](Cc1ccccn1)[C@@H]1CCOC2(CCC2)C1,79.45340000000006
+48314,Modify the molecule N#Cc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 to have a higher MR value.,N#Cc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1,91.73590000000002
+194823,Optimize the molecule CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)cc1 to have a higher MR value.,CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)cc1,118.99299999999997
+84780,Optimize the molecule CCn1ccnc(NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1=O to have a lower MR value.,CCn1ccnc(NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1=O,103.22570000000007
+118409,Optimize the molecule CCCCNC(=O)NCCc1ccc(-c2csc(C)n2)s1 to have a higher MR value.,CCCCNC(=O)NCCc1ccc(-c2csc(C)n2)s1,90.17740000000003
+201727,Please modify the molecule CCn1c(SCc2ccc(OC)c([N+](=O)[O-])c2)nc2ccccc2c1=O to increase its MR value.,CCn1c(SCc2ccc(OC)c([N+](=O)[O-])c2)nc2ccccc2c1=O,100.88640000000004
+14971,Optimize the molecule CC[C@H](C)Oc1cccc(NC(=O)COc2ccccc2Cl)c1 to have a higher MR value.,CC[C@H](C)Oc1cccc(NC(=O)COc2ccccc2Cl)c1,92.39970000000004
+186514,Please optimize the molecule COc1cc(C)ccc1OCC(=O)NNc1cccc(Cl)c1 to have a higher MR value.,COc1cc(C)ccc1OCC(=O)NNc1cccc(Cl)c1,86.44340000000003
+217482,Please optimize the molecule Cc1ccccc1C[C@H]1CN2CCC[C@H]2C[NH2+]1 to have a higher MR value.,Cc1ccccc1C[C@H]1CN2CCC[C@H]2C[NH2+]1,70.05840000000003
+81612,Please modify the molecule Cn1cc[nH+]c1CNC(=O)c1cncc([C@H]2CCC[NH2+]2)n1 to increase its MR value.,Cn1cc[nH+]c1CNC(=O)c1cncc([C@H]2CCC[NH2+]2)n1,73.93830000000003
+176344,Please modify the molecule Cc1ccn2c(/N=C(\[O-])c3sc(-c4cnn(C)c4)nc3C)nnc2c1 to increase its MR value.,Cc1ccn2c(/N=C(\[O-])c3sc(-c4cnn(C)c4)nc3C)nnc2c1,92.97400000000003
+247680,Modify the molecule CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 to increase its MR value.,CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1,108.92370000000001
+53904,Optimize the molecule C[NH+](C)CCSc1ccc(CO)cc1 to have a higher MR value.,C[NH+](C)CCSc1ccc(CO)cc1,60.76650000000004
+16226,Please optimize the molecule C#CCN(C(=O)Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 to have a higher MR value.,C#CCN(C(=O)Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1,78.01650000000002
+118508,Please modify the molecule C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O to decrease its MR value.,C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O,106.68790000000001
+161183,Please modify the molecule CC(C)CN(CCC#N)C(=O)Cc1ccc(F)cc1F to decrease its MR value.,CC(C)CN(CCC#N)C(=O)Cc1ccc(F)cc1F,71.71000000000002
+9822,Modify the molecule COc1ccc(OC)c2sc(NC(=O)c3cc4cccc(OC)c4o3)nc12 to have a higher MR value.,COc1ccc(OC)c2sc(NC(=O)c3cc4cccc(OC)c4o3)nc12,103.44320000000003
+139370,Modify the molecule COc1ccc(CNC(=O)c2cccnc2Cl)c(OC)c1 to increase its MR value.,COc1ccc(CNC(=O)c2cccnc2Cl)c(OC)c1,79.96320000000003
+88904,Please modify the molecule Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N[C@H](C)[C@H]2CCCO2)n1 to decrease its MR value.,Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N[C@H](C)[C@H]2CCCO2)n1,104.16270000000004
+64704,Modify the molecule C#CCNC(=O)CN(Cc1ccc(C)o1)c1ccc(F)cc1 to increase its MR value.,C#CCNC(=O)CN(Cc1ccc(C)o1)c1ccc(F)cc1,82.73770000000003
+110719,Please optimize the molecule CCNC(=O)c1cccc2c1CCN2C(=O)c1ccc(F)cc1 to have a lower MR value.,CCNC(=O)c1cccc2c1CCN2C(=O)c1ccc(F)cc1,86.22970000000002
+152140,Please optimize the molecule CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(F)cn1)O[C@@H](C)C2 to have a higher MR value.,CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(F)cn1)O[C@@H](C)C2,89.64440000000005
+126236,Optimize the molecule COc1ccc2[nH]cc(CCNC(=O)C[C@@H]3C(=O)Oc4c(ccc(O)c4O)[C@@H]3C)c2c1 to have a higher MR value.,COc1ccc2[nH]cc(CCNC(=O)C[C@@H]3C(=O)Oc4c(ccc(O)c4O)[C@@H]3C)c2c1,113.49300000000002
+117204,Modify the molecule COC(=O)c1cc(F)c(C)c(NCc2nnc(Cc3ccccc3)o2)c1 to increase its MR value.,COC(=O)c1cc(F)c(C)c(NCc2nnc(Cc3ccccc3)o2)c1,93.34920000000002
+65623,Modify the molecule O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 to increase its MR value.,O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2,99.99040000000004
+55427,Optimize the molecule C[NH2+][C@H](CCCOC)c1cscc1Br to have a lower MR value.,C[NH2+][C@H](CCCOC)c1cscc1Br,63.71940000000003
+217116,Optimize the molecule COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccccc1F)CC2 to have a higher MR value.,COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccccc1F)CC2,97.59340000000005
+117180,Please optimize the molecule CCOC(=O)Cc1csc(NC(=O)c2cccc(-n3cccc3)c2)n1 to have a lower MR value.,CCOC(=O)Cc1csc(NC(=O)c2cccc(-n3cccc3)c2)n1,96.17320000000002
+114162,Optimize the molecule Cn1cc[nH+]c1-c1ccc(NC[C@@H](c2ccccn2)N2CCOCC2)nn1 to have a lower MR value.,Cn1cc[nH+]c1-c1ccc(NC[C@@H](c2ccccn2)N2CCOCC2)nn1,100.85440000000004
+217849,Please modify the molecule Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CC(=O)NCc1cccs1 to increase its MR value.,Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CC(=O)NCc1cccs1,112.46170000000004
+14514,Modify the molecule c1ccc(COCC[NH2+]Cc2cc[nH]c2)cc1 to have a higher MR value.,c1ccc(COCC[NH2+]Cc2cc[nH]c2)cc1,67.38710000000003
+30782,Please optimize the molecule CCOc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] to have a higher MR value.,CCOc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-],98.25280000000006
+211193,Modify the molecule CCCC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 to decrease its MR value.,CCCC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1,82.16990000000003
+42234,Optimize the molecule CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)C[C@@H](C)O)CC1 to have a higher MR value.,CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)C[C@@H](C)O)CC1,84.55120000000005
+61911,Modify the molecule Cc1nc(COc2ccccc2C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)no1 to decrease its MR value.,Cc1nc(COc2ccccc2C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)no1,107.00890000000004
+206452,Please modify the molecule COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN(C(C)C)C4)C2=O)c1 to increase its MR value.,COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN(C(C)C)C4)C2=O)c1,109.83450000000006
+174328,Optimize the molecule CCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1Br to have a higher MR value.,CCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1Br,68.47770000000003
+105615,Please optimize the molecule N#CCCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 to have a lower MR value.,N#CCCSc1nnc(-c2ccccc2F)n1Cc1ccccc1,91.91400000000002
+27910,Optimize the molecule CCNC(=O)CNC(=O)c1cccc(OC)c1F to have a lower MR value.,CCNC(=O)CNC(=O)c1cccc(OC)c1F,63.968900000000026
+117388,Modify the molecule CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccco2)C1 to increase its MR value.,CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccco2)C1,65.06120000000004
+242697,Optimize the molecule COC1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 to have a lower MR value.,COC1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1,86.76170000000005
+65361,Modify the molecule CC(C)c1noc([C@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)n1 to decrease its MR value.,CC(C)c1noc([C@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)n1,95.32900000000005
+182401,Optimize the molecule CC(=O)N(C)c1nc(/C=C/c2nc3c(ccc4ccccc43)s2)cs1 to have a higher MR value.,CC(=O)N(C)c1nc(/C=C/c2nc3c(ccc4ccccc43)s2)cs1,107.25200000000004
+177216,Modify the molecule Cc1ccc(C)c(OCCNC(=O)CCC(=O)[O-])c1 to have a lower MR value.,Cc1ccc(C)c(OCCNC(=O)CCC(=O)[O-])c1,68.66170000000002
+35105,Please optimize the molecule Cc1nc2ccccc2n1/N=C/c1ccc([N+](=O)[O-])s1 to have a higher MR value.,Cc1nc2ccccc2n1/N=C/c1ccc([N+](=O)[O-])s1,78.43540000000002
+143728,Modify the molecule COc1ccc(N[C@H]2CCN(C(C)C)C2=O)c(C)c1 to have a higher MR value.,COc1ccc(N[C@H]2CCN(C(C)C)C2=O)c(C)c1,76.60770000000004
+138621,Modify the molecule O=C1N=C2NC3=C(C(=O)c4ccccc43)[C@H](c3ccnc4ccccc34)[C@@H]2C(=O)N1 to increase its MR value.,O=C1N=C2NC3=C(C(=O)c4ccccc43)[C@H](c3ccnc4ccccc34)[C@@H]2C(=O)N1,109.77590000000001
+23972,Modify the molecule Cc1cc(C(=O)N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)c(C)o1 to decrease its MR value.,Cc1cc(C(=O)N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)c(C)o1,102.60150000000006
+248574,Please optimize the molecule O=C(NC[C@@H](O)COc1cccc(F)c1)N[C@H]1CCCCNC1=O to have a higher MR value.,O=C(NC[C@@H](O)COc1cccc(F)c1)N[C@H]1CCCCNC1=O,85.08490000000003
+120350,Please modify the molecule COc1ccnc(COC(=O)/C=C(/C)C(C)(C)C)c1 to increase its MR value.,COc1ccnc(COC(=O)/C=C(/C)C(C)(C)C)c1,73.79700000000004
+121347,Modify the molecule CCc1nn2c(=O)cc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)nc2s1 to increase its MR value.,CCc1nn2c(=O)cc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)nc2s1,91.56000000000003
+121821,Please optimize the molecule O=S(=O)(c1ccccc1)n1ccc2c(Cl)ccnc21 to have a higher MR value.,O=S(=O)(c1ccccc1)n1ccc2c(Cl)ccnc21,73.76880000000003
+205959,Optimize the molecule CC[C@@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1cccs1 to have a higher MR value.,CC[C@@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1cccs1,92.96670000000005
+216275,Please modify the molecule Cc1nc2ccc(NC(=O)[C@H](C)Sc3ccccn3)cc2o1 to increase its MR value.,Cc1nc2ccc(NC(=O)[C@H](C)Sc3ccccn3)cc2o1,86.93170000000003
+35109,Please optimize the molecule C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 to have a lower MR value.,C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2,90.08660000000005
+141713,Modify the molecule CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3ccncc3Cl)C2)c1 to have a higher MR value.,CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3ccncc3Cl)C2)c1,91.60500000000003
+186810,Modify the molecule NNC(=O)COc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1 to decrease its MR value.,NNC(=O)COc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1,90.68710000000002
+11784,Please modify the molecule CC(C)Oc1ncnc(OCC[NH+](C)C)c1N to decrease its MR value.,CC(C)Oc1ncnc(OCC[NH+](C)C)c1N,65.38110000000005
+61553,Modify the molecule C[C@@H](O)c1ccn(Cc2nn(C)c3ccccc23)c1 to have a lower MR value.,C[C@@H](O)c1ccn(Cc2nn(C)c3ccccc23)c1,74.88180000000004
+189907,Please modify the molecule Cc1nc(C)c(CNCc2cccc(OC(C)C)c2)s1 to decrease its MR value.,Cc1nc(C)c(CNCc2cccc(OC(C)C)c2)s1,84.33770000000005
+62485,Modify the molecule Cn1ncc(/C(N)=N/O)c1NS(=O)(=O)C1CC1 to decrease its MR value.,Cn1ncc(/C(N)=N/O)c1NS(=O)(=O)C1CC1,61.283400000000015
+77029,Modify the molecule CN(C)S(=O)(=O)[n+]1ccn(C)c1 to increase its MR value.,CN(C)S(=O)(=O)[n+]1ccn(C)c1,43.61280000000002
+113288,Modify the molecule Cc1cncc(NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)c1 to decrease its MR value.,Cc1cncc(NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)c1,80.71910000000003
+41736,Modify the molecule C[NH2+][C@@H](c1cc2c(s1)CCCC2)c1cc(C)c(F)cc1F to decrease its MR value.,C[NH2+][C@@H](c1cc2c(s1)CCCC2)c1cc(C)c(F)cc1F,81.74840000000003
+177210,Optimize the molecule O=C(CSCC(F)(F)F)N1CCC[C@@H]1c1ccc2c(c1)OCO2 to have a higher MR value.,O=C(CSCC(F)(F)F)N1CCC[C@@H]1c1ccc2c(c1)OCO2,79.63300000000005
+187196,Optimize the molecule COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 to have a lower MR value.,COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1,118.72840000000002
+163776,Modify the molecule Cc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)sc1Br to have a lower MR value.,Cc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)sc1Br,85.19090000000004
+156012,Please optimize the molecule O=c1[nH]c(CNCc2ccc(F)cc2)nc2ccccc12 to have a lower MR value.,O=c1[nH]c(CNCc2ccc(F)cc2)nc2ccccc12,79.30740000000003
+13993,Please optimize the molecule CCCN(Cc1cccc(F)c1Cl)S(=O)(=O)N1CCCCC1 to have a lower MR value.,CCCN(Cc1cccc(F)c1Cl)S(=O)(=O)N1CCCCC1,86.45480000000005
+97193,Please optimize the molecule O=c1oc(-c2ccccc2)nn1C[C@@H](O)COc1ccc(Cl)cc1Cl to have a higher MR value.,O=c1oc(-c2ccccc2)nn1C[C@@H](O)COc1ccc(Cl)cc1Cl,94.16280000000002
+189652,Please optimize the molecule CCN(CC(C)C)C(=O)N[C@](C)(CC)C(=O)[O-] to have a lower MR value.,CCN(CC(C)C)C(=O)N[C@](C)(CC)C(=O)[O-],64.31970000000004
+55748,Modify the molecule CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(OCC(F)F)n1 to have a lower MR value.,CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(OCC(F)F)n1,87.22570000000005
+105355,Please optimize the molecule CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OCC(F)F)nc1 to have a higher MR value.,CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OCC(F)F)nc1,82.76120000000004
+110273,Please optimize the molecule O=S(=O)(c1cccs1)N1CCCSCC1 to have a higher MR value.,O=S(=O)(c1cccs1)N1CCCSCC1,65.01980000000002
+149857,Modify the molecule CCc1[nH+]ccn1CCC(=O)N1CCc2onc(-c3ccccc3F)c2C1 to increase its MR value.,CCc1[nH+]ccn1CCC(=O)N1CCc2onc(-c3ccccc3F)c2C1,96.00070000000005
+39422,Optimize the molecule Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)c1nnc2n1CCC2 to have a lower MR value.,Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)c1nnc2n1CCC2,93.36440000000005
+32713,Please modify the molecule CCOc1cc(NC(=O)C(=O)NC[C@H](C)c2ccsc2)ccc1C to decrease its MR value.,CCOc1cc(NC(=O)C(=O)NC[C@H](C)c2ccsc2)ccc1C,96.72140000000003
+111810,Please modify the molecule Fc1ccccc1CN1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 to increase its MR value.,Fc1ccccc1CN1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1,104.43770000000002
+68219,Modify the molecule Cc1cc(I)ccc1NCc1cccc(C2CC2)c1 to increase its MR value.,Cc1cc(I)ccc1NCc1cccc(C2CC2)c1,89.63970000000003
+202540,Modify the molecule O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@H]1c1cccnc1 to have a higher MR value.,O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@H]1c1cccnc1,91.44500000000002
+1338,Optimize the molecule CCOCCn1c(C(C)(C)C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 to have a lower MR value.,CCOCCn1c(C(C)(C)C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12,96.36300000000004
+6630,Optimize the molecule C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 to have a lower MR value.,C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1,103.62690000000005
+243417,Optimize the molecule COc1ccc(COC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cn1 to have a lower MR value.,COc1ccc(COC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cn1,91.61750000000002
+206779,Modify the molecule O=C([O-])CCC(=O)Nc1cc(Cl)cc(Cl)c1 to decrease its MR value.,O=C([O-])CCC(=O)Nc1cc(Cl)cc(Cl)c1,59.33270000000002
+124891,Modify the molecule O=C(c1c(O)cccc1O)N1CCC(O)(C(F)(F)F)CC1 to have a higher MR value.,O=C(c1c(O)cccc1O)N1CCC(O)(C(F)(F)F)CC1,65.91390000000003
+216471,Modify the molecule CSc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncn(C)n1 to increase its MR value.,CSc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncn(C)n1,80.53440000000003
+222241,Modify the molecule CCCCC[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C)c1 to have a higher MR value.,CCCCC[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C)c1,86.29240000000004
+122940,Please modify the molecule COc1cc(C=O)cc(CN2CCN(c3ccc(C)cc3)CC2)c1O to decrease its MR value.,COc1cc(C=O)cc(CN2CCN(c3ccc(C)cc3)CC2)c1O,98.71530000000004
+13430,Optimize the molecule Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl to have a higher MR value.,Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl,90.95560000000002
+215869,Modify the molecule C=CCSC1=N[C@@H](c2ccccc2)/C(=C(/[O-])OCC)C(C)=N1 to have a higher MR value.,C=CCSC1=N[C@@H](c2ccccc2)/C(=C(/[O-])OCC)C(C)=N1,91.03400000000005
+193061,Optimize the molecule c1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1 to have a lower MR value.,c1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1,91.77270000000003
+74948,Please modify the molecule N#Cc1ccc(Cl)cc1NC(=O)c1ccc(Br)s1 to decrease its MR value.,N#Cc1ccc(Cl)cc1NC(=O)c1ccc(Br)s1,76.1392
+241743,Optimize the molecule Cc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)nc(C)c1CC(C)C to have a higher MR value.,Cc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)nc(C)c1CC(C)C,86.81070000000004
+162791,Modify the molecule C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C(C)(C)C[NH+](C)C to have a lower MR value.,C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C(C)(C)C[NH+](C)C,90.56340000000004
+137064,Optimize the molecule COc1ccc(F)c(C[C@]2(CCC(=O)N(C)[C@H]3CCOC3)CCC(=O)N2)c1 to have a higher MR value.,COc1ccc(F)c(C[C@]2(CCC(=O)N(C)[C@H]3CCOC3)CCC(=O)N2)c1,97.99170000000005
+28461,Modify the molecule C[C@](CO)(NC(=O)c1c[nH]c2cccc(Br)c12)C1CC1 to have a lower MR value.,C[C@](CO)(NC(=O)c1c[nH]c2cccc(Br)c12)C1CC1,81.67970000000001
+3525,Please optimize the molecule Cn1cc(N2CC[C@H](NC(=O)CCSc3ccccn3)C2=O)cn1 to have a lower MR value.,Cn1cc(N2CC[C@H](NC(=O)CCSc3ccccn3)C2=O)cn1,91.68670000000004
+219774,Optimize the molecule CSc1ccc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1F to have a higher MR value.,CSc1ccc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1F,97.00440000000006
+23299,Modify the molecule CC(C)C(=O)c1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1 to have a lower MR value.,CC(C)C(=O)c1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1,100.09020000000002
+44887,Please modify the molecule CO[C@]1(C)C[C@H]([NH2+]CCC2=CCOCC2)C1(C)C to increase its MR value.,CO[C@]1(C)C[C@H]([NH2+]CCC2=CCOCC2)C1(C)C,72.52840000000005
+234086,Optimize the molecule CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccnc2Cl)C1 to have a lower MR value.,CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccnc2Cl)C1,75.60020000000004
+34288,Modify the molecule CNc1snc(C)c1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 to decrease its MR value.,CNc1snc(C)c1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1,95.26190000000004
+232098,Optimize the molecule Cc1ncsc1CNC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C to have a higher MR value.,Cc1ncsc1CNC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C,88.84840000000004
+80623,Please optimize the molecule Cc1csc([C@@H](NC(=O)N2CC[C@@H](C)C[C@@H]2C)C2CC2)n1 to have a higher MR value.,Cc1csc([C@@H](NC(=O)N2CC[C@@H](C)C[C@@H]2C)C2CC2)n1,85.41370000000003
+30428,Modify the molecule Cc1cc2c(N3CCCN(CC(F)(F)F)CC3)ncnc2s1 to have a higher MR value.,Cc1cc2c(N3CCCN(CC(F)(F)F)CC3)ncnc2s1,81.47700000000003
+193186,Modify the molecule CC[C@@H](COC)NC(=O)[C@@H](C)C[NH2+]C to have a lower MR value.,CC[C@@H](COC)NC(=O)[C@@H](C)C[NH2+]C,55.97810000000003
+182697,Modify the molecule CCOc1cccc(O[C@@H]2CCC[NH2+]C2)c1 to increase its MR value.,CCOc1cccc(O[C@@H]2CCC[NH2+]C2)c1,62.920400000000036
+200541,Modify the molecule Cc1ccc(CC(=O)N2CCC[C@H](C)C2)cn1 to have a lower MR value.,Cc1ccc(CC(=O)N2CCC[C@H](C)C2)cn1,67.65600000000003
+247532,Optimize the molecule N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccc(Cl)cc1 to have a higher MR value.,N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccc(Cl)cc1,87.56500000000001
+143085,Modify the molecule Nc1ccc(-c2ccc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cn1 to have a lower MR value.,Nc1ccc(-c2ccc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cn1,110.53940000000001
+153999,Please modify the molecule Cc1c(C(=O)NNC(=O)Cc2csc(-c3ccccn3)n2)oc2ccccc12 to decrease its MR value.,Cc1c(C(=O)NNC(=O)Cc2csc(-c3ccccn3)n2)oc2ccccc12,105.6089
+18593,Modify the molecule COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 to increase its MR value.,COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1,90.60670000000003
+71431,Optimize the molecule COc1ccc(C[C@H](CO)Cc2nc(C)c(C)s2)cc1 to have a higher MR value.,COc1ccc(C[C@H](CO)Cc2nc(C)c(C)s2)cc1,82.56580000000004
+167708,Modify the molecule Cc1nnc(NC(=O)c2ccc(C)c(-n3cccc3)c2)s1 to decrease its MR value.,Cc1nnc(NC(=O)c2ccc(C)c(-n3cccc3)c2)s1,83.10520000000002
+222535,Please modify the molecule [NH3+]Cc1ccc(C(=O)N2CCCC2)cc1 to decrease its MR value.,[NH3+]Cc1ccc(C(=O)N2CCCC2)cc1,58.171600000000026
+84416,Modify the molecule COc1cccc(/C=N\N2CCOCC2)c1O to increase its MR value.,COc1cccc(/C=N\N2CCOCC2)c1O,64.64480000000003
+210376,Modify the molecule COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1 to have a higher MR value.,COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1,87.08140000000003
+62366,Please optimize the molecule CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NNc2ccccc2F)c1 to have a higher MR value.,CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NNc2ccccc2F)c1,100.21850000000003
+182935,Modify the molecule C[C@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)Nc1ccccc1 to have a higher MR value.,C[C@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)Nc1ccccc1,103.3507
+136749,Modify the molecule O=C([O-])CN1CC2(CCC1=O)CC[NH+](Cc1nc3ccccc3[nH]1)CC2 to have a lower MR value.,O=C([O-])CN1CC2(CCC1=O)CC[NH+](Cc1nc3ccccc3[nH]1)CC2,92.98240000000006
+188768,Modify the molecule CC(=O)N[C@@H](Cc1c(OCC(C)C)ccc2ccccc12)C(=O)[O-] to have a lower MR value.,CC(=O)N[C@@H](Cc1c(OCC(C)C)ccc2ccccc12)C(=O)[O-],90.59670000000006
+85532,Please optimize the molecule CCc1nc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+][C@@H]2C)c[nH]1 to have a lower MR value.,CCc1nc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+][C@@H]2C)c[nH]1,72.15860000000005
+117748,Modify the molecule Cc1nc(NCCNC(=O)c2ccccc2Cl)cc(N2CCOCC2)n1 to increase its MR value.,Cc1nc(NCCNC(=O)c2ccccc2Cl)cc(N2CCOCC2)n1,102.07590000000003
+24605,Modify the molecule CC[C@H](C)NC(=O)COc1ccc(F)cc1 to have a lower MR value.,CC[C@H](C)NC(=O)COc1ccc(F)cc1,59.79070000000004
+153502,Please optimize the molecule O=C1C(Cl)=C(N2CCC(C(=O)NCc3cccs3)CC2)C(=O)c2ccccc21 to have a lower MR value.,O=C1C(Cl)=C(N2CCC(C(=O)NCc3cccs3)CC2)C(=O)c2ccccc21,108.44470000000003
+47835,Modify the molecule O[C@]12CC[NH2+]C[C@H]1CN(c1ncccc1Cl)CC2 to have a higher MR value.,O[C@]12CC[NH2+]C[C@H]1CN(c1ncccc1Cl)CC2,70.79320000000004
+4606,Please optimize the molecule O=C(CS)Nc1ccccn1 to have a lower MR value.,O=C(CS)Nc1ccccn1,46.71970000000002
+74738,Modify the molecule O[C@@H](COc1cccc2ccccc12)C[NH+]1CCCC1 to have a higher MR value.,O[C@@H](COc1cccc2ccccc12)C[NH+]1CCCC1,80.24750000000004
+66545,Optimize the molecule C#CCN(C(=O)NCc1ncc(C(C)(C)C)o1)[C@H]1CCS(=O)(=O)C1 to have a higher MR value.,C#CCN(C(=O)NCc1ncc(C(C)(C)C)o1)[C@H]1CCS(=O)(=O)C1,90.03650000000005
+156805,Modify the molecule Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 to have a lower MR value.,Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1,105.32880000000006
+244776,Please modify the molecule COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C[C@@H]1CCCO1)C3 to decrease its MR value.,COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C[C@@H]1CCCO1)C3,102.55700000000003
+44512,Modify the molecule NC(=O)c1cccc(CCNC(=O)Cc2cnn(-c3ccccc3)c2)c1 to have a higher MR value.,NC(=O)c1cccc(CCNC(=O)Cc2cnn(-c3ccccc3)c2)c1,98.94160000000001
+75157,Please optimize the molecule CCc1ccc(/C=c2/sc(=C(C#N)C#N)n([C@@H](C)c3ccccc3)c2=O)cc1 to have a higher MR value.,CCc1ccc(/C=c2/sc(=C(C#N)C#N)n([C@@H](C)c3ccccc3)c2=O)cc1,112.10500000000002
+165479,Please modify the molecule COCc1c(Br)cccc1N[C@@H](C)c1ccoc1 to decrease its MR value.,COCc1c(Br)cccc1N[C@@H](C)c1ccoc1,75.60070000000003
+179697,Please modify the molecule COc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C)cc2)c(OC)c1 to decrease its MR value.,COc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C)cc2)c(OC)c1,107.69870000000003
+124687,Modify the molecule Cn1cc(N2CC[C@H](NC(=O)c3ccccc3Cn3cncn3)C2=O)cn1 to have a higher MR value.,Cn1cc(N2CC[C@H](NC(=O)c3ccccc3Cn3cncn3)C2=O)cn1,96.99820000000004
+226362,Modify the molecule COc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)cn2)ccc1F to have a lower MR value.,COc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)cn2)ccc1F,82.68140000000002
+112029,Optimize the molecule Fc1ccc(CNc2c3c([nH+]c4ccccc24)CCCC3)cc1 to have a lower MR value.,Fc1ccc(CNc2c3c([nH+]c4ccccc24)CCCC3)cc1,90.87240000000003
+123353,Modify the molecule CC[C@@H](Oc1ccccc1)C(=O)[O-] to decrease its MR value.,CC[C@@H](Oc1ccccc1)C(=O)[O-],46.15600000000003
+33157,Please optimize the molecule COCCOc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc32)cc1 to have a lower MR value.,COCCOc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc32)cc1,88.83140000000006
+111189,Modify the molecule C[C@@]1(NC(=O)CCn2nc3ccccn3c2=O)CCOC1 to have a lower MR value.,C[C@@]1(NC(=O)CCn2nc3ccccn3c2=O)CCOC1,76.05270000000003
+91380,Optimize the molecule CC(C)[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1cccs1 to have a higher MR value.,CC(C)[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1cccs1,105.75970000000004
+206833,Please optimize the molecule CCNC(=O)c1ccc(CNC(=O)NC[C@H](C)c2ccsc2)cc1 to have a lower MR value.,CCNC(=O)c1ccc(CNC(=O)NC[C@H](C)c2ccsc2)cc1,97.42160000000004
+90706,Modify the molecule COC(=O)c1ccc(NC(=O)c2cnn3cccnc23)cc1 to have a higher MR value.,COC(=O)c1ccc(NC(=O)c2cnn3cccnc23)cc1,78.72170000000003
+124880,Please optimize the molecule O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(F)c1 to have a higher MR value.,O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(F)c1,85.70740000000004
+122195,Optimize the molecule C[NH2+][C@H]1c2ccc(Cl)c(Cl)c2C[C@H]1C to have a lower MR value.,C[NH2+][C@H]1c2ccc(Cl)c(Cl)c2C[C@H]1C,59.92040000000002
+225925,Modify the molecule C=CCN(Cc1ccccc1C)C(=O)[C@@H]([NH3+])Cc1ccccc1 to decrease its MR value.,C=CCN(Cc1ccccc1C)C(=O)[C@@H]([NH3+])Cc1ccccc1,93.61510000000004
+90436,Modify the molecule CCOC(=O)N1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 to have a lower MR value.,CCOC(=O)N1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1,74.12110000000006
+58270,Please optimize the molecule COc1ccc(C2=NCC(=O)N(CC(=O)c3ccc(F)cc3)c3sc(C)c(C)c32)cc1OC to have a higher MR value.,COc1ccc(C2=NCC(=O)N(CC(=O)c3ccc(F)cc3)c3sc(C)c(C)c32)cc1OC,126.92850000000003
+239590,Modify the molecule C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)c1nc(-c2ccccc2)no1 to increase its MR value.,C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)c1nc(-c2ccccc2)no1,86.28940000000003
+204608,Optimize the molecule Cc1c([N-]S(=O)(=O)c2[nH+]cn(C)c2Cl)cccc1C(=O)[O-] to have a lower MR value.,Cc1c([N-]S(=O)(=O)c2[nH+]cn(C)c2Cl)cccc1C(=O)[O-],72.69300000000001
+9961,Please modify the molecule C[C@H](Sc1nc2ccccc2s1)C(=O)c1ccccc1 to decrease its MR value.,C[C@H](Sc1nc2ccccc2s1)C(=O)c1ccccc1,85.71150000000002
+81889,Optimize the molecule Clc1ccc2sc(Nc3ccc4c(c3)OCCO4)nc2c1 to have a lower MR value.,Clc1ccc2sc(Nc3ccc4c(c3)OCCO4)nc2c1,85.34470000000003
+155660,Please modify the molecule CCn1c(SCC(=O)N2CCC[C@H](C)C2)nnc1-c1ccco1 to increase its MR value.,CCn1c(SCC(=O)N2CCC[C@H](C)C2)nnc1-c1ccco1,89.10000000000004
+46751,Please optimize the molecule Cc1cccc([C@@H]2C(=O)NC(=O)C[C@@H]2C2CCOCC2)c1 to have a higher MR value.,Cc1cccc([C@@H]2C(=O)NC(=O)C[C@@H]2C2CCOCC2)c1,78.71970000000005
+158656,Please modify the molecule CN1C[C@H](Nc2ncc(Cl)cc2F)CCC1=O to increase its MR value.,CN1C[C@H](Nc2ncc(Cl)cc2F)CCC1=O,63.48670000000002
+225691,Please modify the molecule O=C(Cc1ccc[nH]1)NCc1ccc(C(F)(F)F)cc1 to increase its MR value.,O=C(Cc1ccc[nH]1)NCc1ccc(C(F)(F)F)cc1,67.78740000000002
+136063,Modify the molecule Cc1ccc(NC(=O)C[NH+]2CCC[C@@H](C(=O)[O-])C2)cc1Cl to have a lower MR value.,Cc1ccc(NC(=O)C[NH+]2CCC[C@@H](C(=O)[O-])C2)cc1Cl,78.11340000000004
+245656,Optimize the molecule CC(C)CCC[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O to have a lower MR value.,CC(C)CCC[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O,88.48320000000004
+157991,Modify the molecule CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 to have a lower MR value.,CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1,100.31470000000004
+47867,Optimize the molecule CN(CC1CC[NH+](C)CC1)C(=O)c1c(F)ccc(N)c1F to have a higher MR value.,CN(CC1CC[NH+](C)CC1)C(=O)c1c(F)ccc(N)c1F,77.07560000000002
+114057,Modify the molecule COc1ccc2cc(C(=O)[C@@H]3CCC[NH+](C4CCCC4)C3)ccc2c1 to have a lower MR value.,COc1ccc2cc(C(=O)[C@@H]3CCC[NH+](C4CCCC4)C3)ccc2c1,100.50720000000005
+23100,Please optimize the molecule COc1cc(C)c(S(=O)(=O)N[C@@H](C#N)c2ccccc2F)cc1OC to have a higher MR value.,COc1cc(C)c(S(=O)(=O)N[C@@H](C#N)c2ccccc2F)cc1OC,89.35850000000003
+214187,Modify the molecule O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1cccc(Br)c1 to decrease its MR value.,O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1cccc(Br)c1,92.45120000000001
+87774,Optimize the molecule CCCOc1cccc(N[C@@H]2CC[NH2+]C2)c1 to have a higher MR value.,CCCOc1cccc(N[C@@H]2CC[NH2+]C2)c1,65.91510000000004
+76986,Modify the molecule O=S(=O)(/N=C([O-])/C=C/c1ccnc(Cl)c1)c1ccccc1F to decrease its MR value.,O=S(=O)(/N=C([O-])/C=C/c1ccnc(Cl)c1)c1ccccc1F,79.30180000000003
+84158,Optimize the molecule Cc1cccc(CC(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 to have a lower MR value.,Cc1cccc(CC(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1,96.25100000000006
+122484,Please modify the molecule Cc1cccc(C)c1OCCN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O to decrease its MR value.,Cc1cccc(C)c1OCCN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O,100.45970000000004
+38460,Modify the molecule O=C([O-])c1cc2nn[nH]n2n1 to increase its MR value.,O=C([O-])c1cc2nn[nH]n2n1,29.463199999999993
+185411,Please modify the molecule CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc2C1 to increase its MR value.,CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc2C1,118.33520000000006
+166079,Please optimize the molecule COc1ccc2nc(SCC(=O)N3CCCC[C@@H]3C)c(C)cc2c1 to have a higher MR value.,COc1ccc2nc(SCC(=O)N3CCCC[C@@H]3C)c(C)cc2c1,98.78200000000005
+193977,Modify the molecule C[C@@]1(CNC(=O)c2cn(CCc3ccccc3)nn2)CCCO1 to decrease its MR value.,C[C@@]1(CNC(=O)c2cn(CCc3ccccc3)nn2)CCCO1,86.09220000000005
+27152,Modify the molecule CCS[C@H]1CC[C@]1([O-])CNC(=O)Nc1cnn(C(C)(C)C)c1 to increase its MR value.,CCS[C@H]1CC[C@]1([O-])CNC(=O)Nc1cnn(C(C)(C)C)c1,88.12940000000005
+107228,Please optimize the molecule CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(C)cc(OC)c1O)CCC2 to have a lower MR value.,CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(C)cc(OC)c1O)CCC2,98.66030000000005
+28118,Modify the molecule CN(C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1 to have a lower MR value.,CN(C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1,91.60650000000001
+122235,Please modify the molecule CC(C)c1cccc(N(C)S(=O)(=O)CC2CCC2)c1 to increase its MR value.,CC(C)c1cccc(N(C)S(=O)(=O)CC2CCC2)c1,80.06180000000005
+23591,Modify the molecule CC(C)[C@@H]([NH3+])C(=O)N1CCN(CCO)CC1 to decrease its MR value.,CC(C)[C@@H]([NH3+])C(=O)N1CCN(CCO)CC1,61.61990000000004
+132913,Optimize the molecule Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1C to have a higher MR value.,Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1C,116.23520000000003
+43269,Please optimize the molecule CC[C@](C)(NC(=O)c1c(C)oc(C)c1C)C(=O)[O-] to have a higher MR value.,CC[C@](C)(NC(=O)c1c(C)oc(C)c1C)C(=O)[O-],64.08820000000003
+15428,Modify the molecule COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 to have a lower MR value.,COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1,99.99900000000004
+196081,Modify the molecule O=C(Nc1nc(-c2ccco2)cs1)c1cccc(N2CCNC2=O)c1 to have a higher MR value.,O=C(Nc1nc(-c2ccco2)cs1)c1cccc(N2CCNC2=O)c1,94.95590000000003
+49241,Modify the molecule CCc1c(N)nnn1Cc1cnn(CC)c1 to increase its MR value.,CCc1c(N)nnn1Cc1cnn(CC)c1,60.815400000000025
+14586,Please optimize the molecule CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cccs1 to have a higher MR value.,CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cccs1,88.38450000000006
+4484,Modify the molecule O=C(Nc1ccc(NC(=O)Nc2ccccc2F)cc1)Nc1ccccc1F to decrease its MR value.,O=C(Nc1ccc(NC(=O)Nc2ccccc2F)cc1)Nc1ccccc1F,104.52480000000003
+26568,Please modify the molecule O=C(Cc1coc(-c2ccccc2)n1)Oc1ccccc1 to decrease its MR value.,O=C(Cc1coc(-c2ccccc2)n1)Oc1ccccc1,77.72000000000004
+139851,Optimize the molecule CC(C)[C@@H]([NH2+]C[C@H](C)CO)c1cccc(C(F)(F)F)c1 to have a higher MR value.,CC(C)[C@@H]([NH2+]C[C@H](C)CO)c1cccc(C(F)(F)F)c1,72.06520000000003
+171195,Please optimize the molecule COc1ccc2c(c1)OC[C@H](Cc1ncccc1C(N)=O)C2 to have a lower MR value.,COc1ccc2c(c1)OC[C@H](Cc1ncccc1C(N)=O)C2,82.14190000000004
+31390,Modify the molecule CN(C)C(=O)C[NH+](C)CCc1ccc2c(c1)CCO2 to have a higher MR value.,CN(C)C(=O)C[NH+](C)CCc1ccc2c(c1)CCO2,74.65970000000004
+240240,Please modify the molecule CC(C)[NH+](CC1CC[NH2+]CC1)[C@H](C)c1ccc(Br)cc1 to increase its MR value.,CC(C)[NH+](CC1CC[NH2+]CC1)[C@H](C)c1ccc(Br)cc1,87.90610000000005
+96251,Please optimize the molecule Cc1ccc(N)cc1NS(C)(=O)=O to have a higher MR value.,Cc1ccc(N)cc1NS(C)(=O)=O,54.05790000000002
+238241,Modify the molecule Cc1cc(C)c2nc(N3CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)sc2c1 to have a higher MR value.,Cc1cc(C)c2nc(N3CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)sc2c1,114.64250000000006
+223188,Please modify the molecule C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1c(Cl)nc2sccn12 to decrease its MR value.,C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1c(Cl)nc2sccn12,86.67570000000003
+174171,Modify the molecule Cc1coc(-c2cccc(NC(=O)C=C3CCSCC3)c2)n1 to decrease its MR value.,Cc1coc(-c2cccc(NC(=O)C=C3CCSCC3)c2)n1,89.94770000000003
+238464,Optimize the molecule COC[C@H](O)CC[NH2+][C@H]1CCSc2ccc(Br)cc21 to have a higher MR value.,COC[C@H](O)CC[NH2+][C@H]1CCSc2ccc(Br)cc21,81.51620000000003
+50794,Modify the molecule CCc1ncc2c(n1)CN(C(=O)Cn1ccc(=O)c3ccccc31)C2 to have a lower MR value.,CCc1ncc2c(n1)CN(C(=O)Cn1ccc(=O)c3ccccc31)C2,93.87200000000003
+210347,Modify the molecule CCNc1nc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cs1 to increase its MR value.,CCNc1nc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cs1,98.57690000000004
+143332,Modify the molecule COCC[NH+]1C[C@H]2CC[C@@H]1CN(Cc1cc3c(cc1OC)CCC3)C2 to decrease its MR value.,COCC[NH+]1C[C@H]2CC[C@@H]1CN(Cc1cc3c(cc1OC)CCC3)C2,99.38070000000008
+63510,Optimize the molecule CN(CCC1CC1)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 to have a lower MR value.,CN(CCC1CC1)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1,93.87070000000004
+231083,Please optimize the molecule COc1cccc(C(=O)Nc2cccc(C)c2)c1 to have a lower MR value.,COc1cccc(C(=O)Nc2cccc(C)c2)c1,72.12620000000003
+211354,Please optimize the molecule CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)[O-])O1 to have a lower MR value.,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)[O-])O1,101.51280000000004
+145456,Modify the molecule O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1cccc(Cl)c1 to have a lower MR value.,O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1cccc(Cl)c1,99.7416
+83500,Optimize the molecule COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc2ccccc2[nH]1 to have a higher MR value.,COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc2ccccc2[nH]1,94.79990000000002
+226301,Modify the molecule O=C(C[C@H]1C=CCC1)N[C@@H](CN1CCCC1=O)c1ccccc1 to decrease its MR value.,O=C(C[C@H]1C=CCC1)N[C@@H](CN1CCCC1=O)c1ccccc1,89.62070000000006
+119166,Modify the molecule CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cn1 to decrease its MR value.,CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cn1,114.40840000000004
+89837,Please modify the molecule CCC[NH2+]C[C@@H]1CC[C@H](C[NH+](C)C2CCC(C)(C)CC2)O1 to decrease its MR value.,CCC[NH2+]C[C@@H]1CC[C@H](C[NH+](C)C2CCC(C)(C)CC2)O1,87.63610000000007
+121581,Please modify the molecule COc1cc(C)ccc1NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C to increase its MR value.,COc1cc(C)ccc1NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C,107.88840000000002
+154467,Optimize the molecule COC[C@](C)(NC(=O)c1ccc([S@@](=O)C(C)C)cc1)c1ccccc1 to have a lower MR value.,COC[C@](C)(NC(=O)c1ccc([S@@](=O)C(C)C)cc1)c1ccccc1,101.12260000000005
+7699,Modify the molecule Cn1cc(/C=C/C(=O)c2cc(F)cc(F)c2)c(C(C)(C)C)n1 to increase its MR value.,Cn1cc(/C=C/C(=O)c2cc(F)cc(F)c2)c(C(C)(C)C)n1,81.63050000000003
+196580,Optimize the molecule Cc1nn([C@H]2CCOC3(CCOCC3)C2)c(C)c1Br to have a higher MR value.,Cc1nn([C@H]2CCOC3(CCOCC3)C2)c(C)c1Br,76.40800000000004
+83023,Please optimize the molecule CCOC(=O)/C(C#N)=C/N[C@](C)(C#N)C1CC1 to have a higher MR value.,CCOC(=O)/C(C#N)=C/N[C@](C)(C#N)C1CC1,60.20670000000003
+165770,Please modify the molecule O=C(Cc1ccc(F)c(F)c1)NCc1ccccn1 to increase its MR value.,O=C(Cc1ccc(F)c(F)c1)NCc1ccccn1,66.14570000000003
+123310,Modify the molecule CO[C@@H]1CN[C@@H](O[C@@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c2cc(Cl)ccc21 to increase its MR value.,CO[C@@H]1CN[C@@H](O[C@@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c2cc(Cl)ccc21,103.17070000000004
+170538,Modify the molecule O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(c2ccccc2)CC1 to have a higher MR value.,O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(c2ccccc2)CC1,113.54220000000004
+35690,Optimize the molecule CCSc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@@H](C)CC4 to have a lower MR value.,CCSc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@@H](C)CC4,95.72700000000006
+158554,Modify the molecule COCCCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O to increase its MR value.,COCCCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O,73.80980000000005
+218954,Modify the molecule CC(C)CC1(CNc2cc[nH+]c(C(=O)[O-])c2)CCCC1 to decrease its MR value.,CC(C)CC1(CNc2cc[nH+]c(C(=O)[O-])c2)CCCC1,76.17390000000005
+51386,Optimize the molecule CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 to have a higher MR value.,CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1,87.85880000000003
+219552,Modify the molecule CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]12C to have a higher MR value.,CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]12C,118.14580000000007
+219222,Modify the molecule COc1nccc(N[C@H]2CC(=O)N(CC(C)(C)C)C2)c1C#N to increase its MR value.,COc1nccc(N[C@H]2CC(=O)N(CC(C)(C)C)C2)c1C#N,83.56670000000004
+58597,Modify the molecule CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 to have a lower MR value.,CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1,82.89310000000005
+171853,Please optimize the molecule CCNC(=O)[C@H]1C[NH2+]CCN1[C@@H]1CCO[C@]2(CCSC2)C1 to have a lower MR value.,CCNC(=O)[C@H]1C[NH2+]CCN1[C@@H]1CCO[C@]2(CCSC2)C1,84.48410000000005
+203001,Please optimize the molecule N#C[C@@H](NC(=O)N1CCCCC1)C1CCCCC1 to have a higher MR value.,N#C[C@@H](NC(=O)N1CCCCC1)C1CCCCC1,69.93170000000005
+133222,Please modify the molecule CC[C@@H](C#N)NC(=O)[C@@H](C)Sc1ccc(OC)cc1 to decrease its MR value.,CC[C@@H](C#N)NC(=O)[C@@H](C)Sc1ccc(OC)cc1,76.14770000000006
+159479,Optimize the molecule CCCCc1nc(Cl)c(CN2CC[C@@]3(CCCNC3=O)C2)[nH]1 to have a higher MR value.,CCCCc1nc(Cl)c(CN2CC[C@@]3(CCCNC3=O)C2)[nH]1,86.78040000000004
+181700,Optimize the molecule CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[S@](=O)C(C)(C)C2)n1 to have a higher MR value.,CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[S@](=O)C(C)(C)C2)n1,95.37990000000005
+53521,Please modify the molecule COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC=CCC2)cc1 to decrease its MR value.,COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC=CCC2)cc1,83.16300000000004
+65870,Please optimize the molecule CC(C)[C@@H](NCC(=O)NC1CC1)c1ccccc1 to have a higher MR value.,CC(C)[C@@H](NCC(=O)NC1CC1)c1ccccc1,73.18840000000004
+123484,Modify the molecule N#Cc1ccnc(N2CC[NH+](Cn3nnn(C[C@@H]4CCCO4)c3=S)CC2)c1 to decrease its MR value.,N#Cc1ccnc(N2CC[NH+](Cn3nnn(C[C@@H]4CCCO4)c3=S)CC2)c1,99.68170000000003
+61898,Please optimize the molecule COc1ccc(F)c(NCC(=O)NCC(=O)N2CCCC2)c1 to have a higher MR value.,COc1ccc(F)c(NCC(=O)NCC(=O)N2CCCC2)c1,80.26540000000003
+67452,Please modify the molecule CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1C[C@H]1c1ccccc1 to increase its MR value.,CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1C[C@H]1c1ccccc1,105.37090000000002
+183136,Please optimize the molecule O=C(CCc1nc2ccccc2o1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 to have a higher MR value.,O=C(CCc1nc2ccccc2o1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1,110.19650000000003
+93182,Please optimize the molecule COC(=O)CNC(=O)[C@H]1COc2ccccc2O1 to have a lower MR value.,COC(=O)CNC(=O)[C@H]1COc2ccccc2O1,61.37870000000003
+213213,Modify the molecule CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)COC2CCCC2)C1 to increase its MR value.,CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)COC2CCCC2)C1,70.57080000000005
+166999,Modify the molecule COc1cccc(-n2c(O)c(/C=N/CCC[NH+]3CCOCC3)c(=O)[nH]c2=S)c1 to have a lower MR value.,COc1cccc(-n2c(O)c(/C=N/CCC[NH+]3CCOCC3)c(=O)[nH]c2=S)c1,108.90120000000002
+166299,Please modify the molecule Cc1sc2nc(-c3ccco3)[nH]c(=O)c2c1C to decrease its MR value.,Cc1sc2nc(-c3ccco3)[nH]c(=O)c2c1C,67.4167
+204554,Modify the molecule Cc1cc(NC(=O)N2CCC(OCC(C)C)CC2)c2ncccc2c1 to decrease its MR value.,Cc1cc(NC(=O)N2CCC(OCC(C)C)CC2)c2ncccc2c1,100.88370000000005
+239808,Optimize the molecule Cc1nc(-c2cccs2)cc([C@H]2C[NH+]3CC[C@@H]2C[C@@H]3C[NH2+]C2CCOCC2)n1 to have a higher MR value.,Cc1nc(-c2cccs2)cc([C@H]2C[NH+]3CC[C@@H]2C[C@@H]3C[NH2+]C2CCOCC2)n1,110.66510000000005
+74297,Modify the molecule CCC(CC)[NH2+]Cc1cc(F)ccc1F to decrease its MR value.,CCC(CC)[NH2+]Cc1cc(F)ccc1F,56.35740000000003
+228116,Please modify the molecule Cn1c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc2cc(C(F)(F)F)ccc21 to decrease its MR value.,Cn1c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc2cc(C(F)(F)F)ccc21,94.27420000000005
+162665,Modify the molecule O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 to have a higher MR value.,O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,119.33770000000004
+161509,Please optimize the molecule COc1c(C)cnc(CNC(=O)NCc2cccnc2OC(C)C)c1C to have a lower MR value.,COc1c(C)cnc(CNC(=O)NCc2cccnc2OC(C)C)c1C,99.33940000000005
+32356,Please optimize the molecule CCCc1nnc(NC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)s1 to have a lower MR value.,CCCc1nnc(NC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)s1,95.61440000000003
+247739,Please optimize the molecule CC[NH2+][C@H](C)CSC[C@@H](O)CO to have a higher MR value.,CC[NH2+][C@H](C)CSC[C@@H](O)CO,52.346000000000025
+177051,Please modify the molecule C[C@@H](Cc1nc(-c2cnccn2)no1)c1ccccc1 to decrease its MR value.,C[C@@H](Cc1nc(-c2cnccn2)no1)c1ccccc1,73.88500000000003
+1512,Optimize the molecule O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(Oc2ccccc2)c1 to have a lower MR value.,O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(Oc2ccccc2)c1,120.1307
+58663,Modify the molecule CN(C)c1ncc(-c2ccccc2)c([C@H]2CCC[NH+]2C)n1 to have a higher MR value.,CN(C)c1ncc(-c2ccccc2)c([C@H]2CCC[NH+]2C)n1,85.52370000000005
+134756,Please modify the molecule O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccco1 to decrease its MR value.,O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccco1,101.25020000000004
+160284,Modify the molecule Cc1cccc(C)c1NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 to decrease its MR value.,Cc1cccc(C)c1NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21,107.53570000000005
+154803,Please modify the molecule C[C@@H]1CCC2=C3C(=O)N=C(CN4CCC(C(N)=O)CC4)N=C3S[C@@H]2C1 to increase its MR value.,C[C@@H]1CCC2=C3C(=O)N=C(CN4CCC(C(N)=O)CC4)N=C3S[C@@H]2C1,99.65540000000003
+118693,Please modify the molecule Cc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 to decrease its MR value.,Cc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1,125.58750000000005
+202682,Modify the molecule CC[C@@H](C)[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(N)=O to have a higher MR value.,CC[C@@H](C)[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(N)=O,88.72170000000004
+219918,Please modify the molecule Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)N[C@H](C)c3ccccc3)CC1)C[C@@H](C)O2 to decrease its MR value.,Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)N[C@H](C)c3ccccc3)CC1)C[C@@H](C)O2,121.30770000000004
+121423,Please modify the molecule C/C(=N\N=C1/CCc2ccccc21)c1nnn(-c2nonc2N)c1C to decrease its MR value.,C/C(=N\N=C1/CCc2ccccc21)c1nnn(-c2nonc2N)c1C,91.87540000000003
+934,Please optimize the molecule CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCC[C@H]2C[C@H]3CC[C@@H]2C3)c1 to have a higher MR value.,CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCC[C@H]2C[C@H]3CC[C@@H]2C3)c1,105.10410000000005
+49907,Optimize the molecule CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2 to have a lower MR value.,CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2,103.40970000000006
+228460,Modify the molecule O=C(/C=C/c1ccco1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 to have a higher MR value.,O=C(/C=C/c1ccco1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1,107.76200000000004
+123630,Please optimize the molecule CC[C@@H](C)N(CC(=O)Nc1ccon1)C(=O)CC(C)C to have a lower MR value.,CC[C@@H](C)N(CC(=O)Nc1ccon1)C(=O)CC(C)C,76.05370000000005
+34559,Modify the molecule C[C@@H](O)c1cc(F)ccc1OCc1c[nH+]cn1C to have a lower MR value.,C[C@@H](O)c1cc(F)ccc1OCc1c[nH+]cn1C,63.334500000000034
+44112,Optimize the molecule COc1ccc(/C=N/c2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)cc1 to have a lower MR value.,COc1ccc(/C=N/c2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)cc1,108.15640000000005
+125305,Optimize the molecule O=C(CN1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1)NCc1ccccc1Cl to have a lower MR value.,O=C(CN1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1)NCc1ccccc1Cl,111.99740000000003
+75893,Please modify the molecule O=C(NCCc1c(F)cccc1F)N1CC[C@@H]([N+]2=CCCC2)C1 to increase its MR value.,O=C(NCCc1c(F)cccc1F)N1CC[C@@H]([N+]2=CCCC2)C1,83.86410000000004
+67982,Modify the molecule Cc1ccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1[N+](=O)[O-] to have a lower MR value.,Cc1ccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1[N+](=O)[O-],97.26060000000004
+66645,Optimize the molecule C[C@@H]1CCC[C@H](OCC(=O)Nc2c(F)cccc2Br)C1 to have a lower MR value.,C[C@@H]1CCC[C@H](OCC(=O)Nc2c(F)cccc2Br)C1,80.10170000000004
+231558,Modify the molecule CCOC(=O)C1=C(C)Nc2nc(COC)nn2[C@@H]1c1ccc2c(c1)OCCO2 to decrease its MR value.,CCOC(=O)C1=C(C)Nc2nc(COC)nn2[C@@H]1c1ccc2c(c1)OCCO2,99.26170000000005
+19740,Please optimize the molecule O=C(CCn1ncc2ncccc2c1=O)Nc1cccc(F)c1 to have a lower MR value.,O=C(CCn1ncc2ncccc2c1=O)Nc1cccc(F)c1,83.44470000000003
+9797,Optimize the molecule CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c1 to have a lower MR value.,CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c1,104.88450000000005
+180139,Please optimize the molecule COc1ccc(-c2nc(NC(=O)C3CCN(c4cnccn4)CC3)sc2C)cc1 to have a lower MR value.,COc1ccc(-c2nc(NC(=O)C3CCN(c4cnccn4)CC3)sc2C)cc1,114.43770000000004
+179937,Please optimize the molecule C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccoc1 to have a higher MR value.,C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccoc1,66.90470000000002
+82008,Please modify the molecule CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)s1 to decrease its MR value.,CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)s1,112.04260000000006
+59907,Modify the molecule CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 to have a higher MR value.,CC(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)CC1,112.40400000000004
+15561,Please optimize the molecule c1ccc(C[NH+]2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 to have a higher MR value.,c1ccc(C[NH+]2CCN(CCOc3ccc4ccccc4c3)CC2)cc1,106.72570000000005
+115310,Please optimize the molecule Cc1ncc([C@@H](C)[NH2+]CCCCC(F)(F)F)s1 to have a lower MR value.,Cc1ncc([C@@H](C)[NH2+]CCCCC(F)(F)F)s1,61.964400000000026
+60376,Optimize the molecule COC(=O)C(C)(C)CNc1ccccc1SC(F)F to have a lower MR value.,COC(=O)C(C)(C)CNc1ccccc1SC(F)F,72.58970000000004
+205983,Modify the molecule CC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1ccccc1Br to have a lower MR value.,CC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1ccccc1Br,72.28380000000003
+118097,Please optimize the molecule CN(Cc1ccc(C#N)cc1)C(=O)c1cnn2cc(Br)cnc12 to have a lower MR value.,CN(Cc1ccc(C#N)cc1)C(=O)c1cnn2cc(Br)cnc12,87.64150000000002
+152916,Optimize the molecule NC(=O)c1csc(N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)n1 to have a lower MR value.,NC(=O)c1csc(N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)n1,95.07640000000004
+243399,Modify the molecule Clc1ccc(Br)c(C[NH2+]C2CCC3(CC2)OCCO3)c1 to increase its MR value.,Clc1ccc(Br)c(C[NH2+]C2CCC3(CC2)OCCO3)c1,81.67240000000004
+173436,Please modify the molecule CNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccn2)c(C)o1 to increase its MR value.,CNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccn2)c(C)o1,84.43600000000004
+59972,Modify the molecule CC(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1CCCC1(C)C to decrease its MR value.,CC(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1CCCC1(C)C,76.03470000000004
+123401,Modify the molecule CCNc1cc[nH+]cc1S(=O)(=O)[N-]c1ccc(C)[nH+]c1C to decrease its MR value.,CCNc1cc[nH+]cc1S(=O)(=O)[N-]c1ccc(C)[nH+]c1C,79.83790000000003
+130305,Optimize the molecule CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2cccs2)NC(=O)N1 to have a higher MR value.,CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2cccs2)NC(=O)N1,94.19910000000003
+69289,Optimize the molecule CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ncccn2)CC1 to have a higher MR value.,CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ncccn2)CC1,80.17740000000003
+48700,Please optimize the molecule N#Cc1c[nH]c2ccc(Cl)cc12 to have a higher MR value.,N#Cc1c[nH]c2ccc(Cl)cc12,48.023700000000005
+75251,Please modify the molecule Nc1ccc(Cl)cc1S[C@H]1CC(=O)N(C2CC2)C1=O to increase its MR value.,Nc1ccc(Cl)cc1S[C@H]1CC(=O)N(C2CC2)C1=O,75.00140000000002
+14150,Modify the molecule COc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCO3)cc1OC to have a higher MR value.,COc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCO3)cc1OC,102.88670000000005
+180377,Modify the molecule C[C@@](O)(CNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1cccs1 to decrease its MR value.,C[C@@](O)(CNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1cccs1,88.89420000000005
+234709,Optimize the molecule CC(C)[C@H](C)Nc1ccc(C(=O)N2CCC[NH+](C3CCCCC3)CC2)cn1 to have a higher MR value.,CC(C)[C@H](C)Nc1ccc(C(=O)N2CCC[NH+](C3CCCCC3)CC2)cn1,110.24990000000007
+54104,Please modify the molecule CCOC(=O)c1c(NC(=O)CSc2nc(C)ccc2C#N)sc2c1CCC2 to increase its MR value.,CCOC(=O)c1c(NC(=O)CSc2nc(C)ccc2C#N)sc2c1CCC2,105.34320000000004
+168450,Please modify the molecule COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C)c1)CC2 to decrease its MR value.,COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C)c1)CC2,80.86440000000005
+16512,Modify the molecule CCc1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1 to have a higher MR value.,CCc1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1,87.6647
+188785,Please optimize the molecule CCC[C@H](C)NC(=O)[C@H](C)Nc1ccc(N2CCCC2)c(F)c1 to have a lower MR value.,CCC[C@H](C)NC(=O)[C@H](C)Nc1ccc(N2CCCC2)c(F)c1,93.44440000000006
+76061,Please modify the molecule O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)C[C@@H]1CSCC[NH2+]1 to increase its MR value.,O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)C[C@@H]1CSCC[NH2+]1,63.65420000000003
+149,Modify the molecule Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 to have a lower MR value.,Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1,91.37880000000004
+67289,Optimize the molecule O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cccc[nH+]3)CC2)cc1 to have a higher MR value.,O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cccc[nH+]3)CC2)cc1,87.57480000000005
+171193,Please optimize the molecule CCOCc1c(O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(OC)cc3)c12 to have a lower MR value.,CCOCc1c(O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(OC)cc3)c12,98.21320000000003
+159847,Please optimize the molecule COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)CCC2 to have a lower MR value.,COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)CCC2,86.58740000000006
+41379,Optimize the molecule Cc1cccc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 to have a higher MR value.,Cc1cccc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1,83.94480000000004
+174770,Modify the molecule Cc1ccc(C)c(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)NCC(C)C)c1 to increase its MR value.,Cc1ccc(C)c(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)NCC(C)C)c1,97.53350000000005
+116998,Modify the molecule CC(=O)c1ccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 to increase its MR value.,CC(=O)c1ccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1,99.42930000000001
+133092,Modify the molecule CN1C(=O)C[C@@H](C(=O)[O-])C12CC[NH+](CCSc1ccccc1)CC2 to decrease its MR value.,CN1C(=O)C[C@@H](C(=O)[O-])C12CC[NH+](CCSc1ccccc1)CC2,90.57870000000005
+236157,Optimize the molecule Cc1cccc(NC(=S)N(Cc2ccco2)C[C@H]2CCCO2)c1Cl to have a higher MR value.,Cc1cccc(NC(=S)N(Cc2ccco2)C[C@H]2CCCO2)c1Cl,100.50170000000003
+16399,Optimize the molecule C[C@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@@H]1O to have a higher MR value.,C[C@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@@H]1O,85.30600000000005
+221034,Modify the molecule CCN1CCO[C@@H]([C@H]([NH3+])Cc2ccsc2)C1 to decrease its MR value.,CCN1CCO[C@@H]([C@H]([NH3+])Cc2ccsc2)C1,66.55310000000004
+247409,Modify the molecule OCCCC12CC3CC(CC(C3)C1)C2 to decrease its MR value.,OCCCC12CC3CC(CC(C3)C1)C2,56.92480000000005
+101265,Please optimize the molecule O=C(ON1C(=O)CCC1=O)c1ccc(C(F)(F)F)cc1 to have a higher MR value.,O=C(ON1C(=O)CCC1=O)c1ccc(C(F)(F)F)cc1,57.946500000000015
+185075,Modify the molecule Cc1ncccc1/N=C1/N[C@H](C)CS1 to have a higher MR value.,Cc1ncccc1/N=C1/N[C@H](C)CS1,61.12470000000003
+32728,Optimize the molecule Cc1nccn1Cc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1 to have a lower MR value.,Cc1nccn1Cc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1,85.44350000000004
+159152,Modify the molecule Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@](C)(C#N)C(C)C)n2n1 to decrease its MR value.,Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@](C)(C#N)C(C)C)n2n1,115.61970000000007
+229908,Optimize the molecule CN(CCc1cccs1)C(=O)N[C@H](CC(N)=O)C(=O)[O-] to have a lower MR value.,CN(CCc1cccs1)C(=O)N[C@H](CC(N)=O)C(=O)[O-],71.79110000000003
+219417,Modify the molecule C[C@@H]1CN(C(=O)Cn2c(=O)oc3ccccc32)c2ccccc2S1 to have a lower MR value.,C[C@@H]1CN(C(=O)Cn2c(=O)oc3ccccc32)c2ccccc2S1,94.58800000000004
+175410,Modify the molecule O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 to have a higher MR value.,O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21,90.90010000000005
+24018,Modify the molecule CCC1(CC)[C@@H]([O-])C[C@@H]1Oc1cccnc1C to have a higher MR value.,CCC1(CC)[C@@H]([O-])C[C@@H]1Oc1cccnc1C,64.81000000000004
+224327,Please modify the molecule CC(C)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 to increase its MR value.,CC(C)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2,80.57190000000004
+238819,Please optimize the molecule Cc1cc(C)n(Cc2nnc(C)n2C2CC2)n1 to have a higher MR value.,Cc1cc(C)n(Cc2nnc(C)n2C2CC2)n1,63.833000000000034
+145255,Modify the molecule O=C(Nc1ccnn1C1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCC3 to increase its MR value.,O=C(Nc1ccnn1C1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCC3,102.00920000000004
+2306,Modify the molecule CCC(=O)N1N/C(=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2[O-])C[C@H]1c1ccc2c(c1)OCO2 to have a higher MR value.,CCC(=O)N1N/C(=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2[O-])C[C@H]1c1ccc2c(c1)OCO2,117.04470000000002
+115145,Please modify the molecule COc1ccccc1-c1nc(CSC[C@H](C)CO)cs1 to increase its MR value.,COc1ccccc1-c1nc(CSC[C@H](C)CO)cs1,86.51380000000003
+36168,Modify the molecule C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 to have a lower MR value.,C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1,134.35069999999993
+75556,Optimize the molecule CN(Cc1ccccc1)Cn1nc(Br)nc1Br to have a higher MR value.,CN(Cc1ccccc1)Cn1nc(Br)nc1Br,73.33100000000002
+79713,Please modify the molecule C[S@](=O)c1nncn1CCCOc1ccc(C#N)cc1 to increase its MR value.,C[S@](=O)c1nncn1CCCOc1ccc(C#N)cc1,73.62340000000003
+243798,Modify the molecule S=C(NCCc1ccccc1)N/N=C/c1cccc(Br)c1 to have a higher MR value.,S=C(NCCc1ccccc1)N/N=C/c1cccc(Br)c1,95.61840000000004
+111722,Modify the molecule COc1ccc(OC[C@H](C)NS(C)(=O)=O)cc1 to increase its MR value.,COc1ccc(OC[C@H](C)NS(C)(=O)=O)cc1,65.93050000000004
+161315,Modify the molecule COC(=O)[C@@]1(F)CCN(C(=O)Cc2cccc(OC)c2)C1 to decrease its MR value.,COC(=O)[C@@]1(F)CCN(C(=O)Cc2cccc(OC)c2)C1,73.75000000000004
+92966,Modify the molecule Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CC(N)=O)CC3)cn2)n1 to decrease its MR value.,Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CC(N)=O)CC3)cn2)n1,92.37090000000003
+149516,Please modify the molecule O=c1nc(C(Cl)(Cl)Cl)nc2ccccn12 to increase its MR value.,O=c1nc(C(Cl)(Cl)Cl)nc2ccccn12,58.494000000000014
+244004,Please modify the molecule O=C(CCCc1ccc(Cl)cc1)N1CCN(Cc2ccncc2)CC1 to decrease its MR value.,O=C(CCCc1ccc(Cl)cc1)N1CCN(Cc2ccncc2)CC1,100.48400000000005
+79127,Modify the molecule CN(C)C(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 to increase its MR value.,CN(C)C(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1,98.67090000000005
+213091,Optimize the molecule COCc1ccccc1[C@H](O)Cc1nc(C(C)(C)C)cs1 to have a higher MR value.,COCc1ccccc1[C@H](O)Cc1nc(C(C)(C)C)cs1,86.63280000000005
+75647,Please modify the molecule C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 to decrease its MR value.,C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1,86.42370000000005
+63271,Modify the molecule C[C@@](O)(CNC(=O)c1cn(-c2ccccc2)nn1)CN1CCOCC1 to increase its MR value.,C[C@@](O)(CNC(=O)c1cn(-c2ccccc2)nn1)CN1CCOCC1,91.57500000000005
+229964,Please optimize the molecule Cc1ccc(C[NH+](C)[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1F to have a higher MR value.,Cc1ccc(C[NH+](C)[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1F,77.99850000000004
+20150,Optimize the molecule Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NC1CCCCC1 to have a higher MR value.,Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NC1CCCCC1,104.49100000000003
+68373,Modify the molecule CC(=O)NC[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 to increase its MR value.,CC(=O)NC[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1,100.45270000000005
+154201,Modify the molecule Cc1ccc(OC(=O)Cc2ccc(F)cc2)cc1 to increase its MR value.,Cc1ccc(OC(=O)Cc2ccc(F)cc2)cc1,66.91800000000002
+80871,Modify the molecule CCc1nn(C)c2c1[nH]c(=S)n2[C@H](C)c1ccccc1F to decrease its MR value.,CCc1nn(C)c2c1[nH]c(=S)n2[C@H](C)c1ccccc1F,83.47970000000004
+36367,Please optimize the molecule C[C@@H]1CNc2cc(F)c(Cl)cc2[NH2+]C1 to have a higher MR value.,C[C@@H]1CNc2cc(F)c(Cl)cc2[NH2+]C1,55.51610000000002
+62075,Modify the molecule CSC(=N/N=C(\Nc1ccccc1)c1ccc(N(C)C)cc1)SC to increase its MR value.,CSC(=N/N=C(\Nc1ccccc1)c1ccc(N(C)C)cc1)SC,111.83570000000003
+173238,Please optimize the molecule O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3nc[nH]n3)o2)c(Cl)c1 to have a higher MR value.,O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3nc[nH]n3)o2)c(Cl)c1,79.4451
+137359,Modify the molecule CC[NH2+]C[C@@H](Cc1cccc(C)c1)c1ccccc1F to have a lower MR value.,CC[NH2+]C[C@@H](Cc1cccc(C)c1)c1ccccc1F,81.35740000000006
+84242,Please optimize the molecule Cc1csc([C@@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCC2)n1 to have a higher MR value.,Cc1csc([C@@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCC2)n1,89.88300000000004
+183081,Optimize the molecule C[C@H]1CCCN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1 to have a lower MR value.,C[C@H]1CCCN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1,75.52800000000005
+237956,Optimize the molecule O[C@H]1CCCCC[C@@H]1c1ccccc1 to have a higher MR value.,O[C@H]1CCCCC[C@@H]1c1ccccc1,58.27480000000005
+78073,Modify the molecule CC1(C)CCSC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 to decrease its MR value.,CC1(C)CCSC[C@H]1[NH2+]C[C@H]1Cc2ccccc21,79.19040000000005
+25720,Modify the molecule Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 to decrease its MR value.,Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1,119.51590000000003
+115709,Modify the molecule CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2[O-])C1 to decrease its MR value.,CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2[O-])C1,57.87900000000004
+65084,Modify the molecule COc1cccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC(C)(C)O4)c1OC to decrease its MR value.,COc1cccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC(C)(C)O4)c1OC,115.32170000000005
+32606,Modify the molecule COC(=O)[C@H]1C[C@@H](O)CCN1Cc1cccc(Cl)c1 to increase its MR value.,COC(=O)[C@H]1C[C@@H](O)CCN1Cc1cccc(Cl)c1,72.90680000000003
+117421,Modify the molecule CCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 to decrease its MR value.,CCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1,110.48080000000003
+234459,Please optimize the molecule Cc1cc(NC(=O)N(C)[C@H](C)c2ccccc2F)n(Cc2ccccc2)n1 to have a higher MR value.,Cc1cc(NC(=O)N(C)[C@H](C)c2ccccc2F)n(Cc2ccccc2)n1,104.10470000000001
+111450,Optimize the molecule O=C(c1cc(=O)[nH]c([O-])n1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 to have a lower MR value.,O=C(c1cc(=O)[nH]c([O-])n1)N1CCN([C@@H]2CCc3ccccc3C2)CC1,94.03520000000005
+91369,Please modify the molecule COC[C@H](NC(=O)N1CCC([C@@H](C)O)CC1)c1ccc(F)c(F)c1 to increase its MR value.,COC[C@H](NC(=O)N1CCC([C@@H](C)O)CC1)c1ccc(F)c(F)c1,85.48450000000003
+58272,Please optimize the molecule CCCCC(=O)N1CCn2c1nc1ccccc12 to have a lower MR value.,CCCCC(=O)N1CCn2c1nc1ccccc12,71.61100000000005
+13748,Modify the molecule C#CC[C@@H](OC(=O)CCn1c(=O)oc2ccccc21)C1CC1 to have a higher MR value.,C#CC[C@@H](OC(=O)CCn1c(=O)oc2ccccc21)C1CC1,81.14500000000002
+189211,Please modify the molecule O=C([O-])CCc1cncc([C@@H]2CN(c3ccccc3)CCO2)n1 to increase its MR value.,O=C([O-])CCc1cncc([C@@H]2CN(c3ccccc3)CCO2)n1,82.70800000000004
+200003,Please modify the molecule CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1C to increase its MR value.,CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1C,91.06020000000004
+240186,Please optimize the molecule CCn1nccc1C(=O)Nc1sc2c(c1C(=O)OC)CCC2 to have a higher MR value.,CCn1nccc1C(=O)Nc1sc2c(c1C(=O)OC)CCC2,83.53770000000003
+135894,Modify the molecule CC(=O)NCc1ccc(C(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)s1 to decrease its MR value.,CC(=O)NCc1ccc(C(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)s1,98.78490000000005
+146092,Modify the molecule O[C@@H]1CCOc2c(Cl)cccc21 to increase its MR value.,O[C@@H]1CCOc2c(Cl)cccc21,46.52380000000002
+237609,Please optimize the molecule COc1ccc(C[NH+]2CCC[C@@H](Cc3noc(C)n3)C2)cc1SC to have a higher MR value.,COc1ccc(C[NH+]2CCC[C@@H](Cc3noc(C)n3)C2)cc1SC,94.63870000000004
+124446,Modify the molecule CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCc1cccnc1 to increase its MR value.,CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCc1cccnc1,99.33340000000003
+207725,Please optimize the molecule CS[C@H](C)c1cccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 to have a lower MR value.,CS[C@H](C)c1cccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1,114.94770000000003
+56347,Modify the molecule CCC[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CCO1 to have a lower MR value.,CCC[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CCO1,90.22570000000006
+34901,Modify the molecule CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 to have a higher MR value.,CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1,85.18420000000002
+72447,Modify the molecule O=C([O-])c1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1O to have a lower MR value.,O=C([O-])c1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1O,84.8584
+158135,Please optimize the molecule CCC([NH3+])(CC)C(=O)N[C@@H](C)c1cc(C)ccc1C to have a higher MR value.,CCC([NH3+])(CC)C(=O)N[C@@H](C)c1cc(C)ccc1C,78.67480000000005
+89176,Modify the molecule CCc1ccc([C@H](CO)NC(=O)c2ccc(Br)nc2)cc1 to decrease its MR value.,CCc1ccc([C@H](CO)NC(=O)c2ccc(Br)nc2)cc1,85.05000000000003
+240428,Modify the molecule CCc1ccccc1N1C(=O)/C(=C(\C)c2ccc([N+](=O)[O-])cc2)SC1=S to have a higher MR value.,CCc1ccccc1N1C(=O)/C(=C(\C)c2ccc([N+](=O)[O-])cc2)SC1=S,109.18540000000002
+200371,Please modify the molecule O=C(Nc1cnc(-c2ccccc2)s1)N1CC[C@@H]2OCCC[C@@H]2C1 to increase its MR value.,O=C(Nc1cnc(-c2ccccc2)s1)N1CC[C@@H]2OCCC[C@@H]2C1,95.22270000000006
+160265,Please modify the molecule O=C(Cc1ccsc1)N1CCC[C@@H](O)C1 to decrease its MR value.,O=C(Cc1ccsc1)N1CCC[C@@H](O)C1,59.84380000000004
+54777,Optimize the molecule Cc1ccc(CNC(=O)COC(=O)c2cccc(F)c2)cc1C to have a lower MR value.,Cc1ccc(CNC(=O)COC(=O)c2cccc(F)c2)cc1C,84.44520000000003
+46827,Optimize the molecule CC(C)(C(=O)NC[C@](C)(O)c1ccc(F)cc1)c1cccc(Cl)c1 to have a higher MR value.,CC(C)(C(=O)NC[C@](C)(O)c1ccc(F)cc1)c1cccc(Cl)c1,93.45850000000003
+116974,Please modify the molecule CC[C@H](O)[C@@H](C)c1ccc(-c2ccccc2)cc1 to decrease its MR value.,CC[C@H](O)[C@@H](C)c1ccc(-c2ccccc2)cc1,76.59080000000006
+223958,Modify the molecule CNC(=S)N(CCC1=c2cc(Cl)ccc2=[NH+][C@H]1C)Cc1cccs1 to decrease its MR value.,CNC(=S)N(CCC1=c2cc(Cl)ccc2=[NH+][C@H]1C)Cc1cccs1,104.64140000000002
+7957,Please optimize the molecule COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(Oc2ccccc2)c1 to have a higher MR value.,COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(Oc2ccccc2)c1,97.25270000000002
+130230,Please modify the molecule COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C=C[C@]12C to increase its MR value.,COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C=C[C@]12C,110.54400000000008
+102405,Please optimize the molecule CN(Cc1cnn(C)c1)C(=O)c1cnc(Cc2ccccc2)s1 to have a higher MR value.,CN(Cc1cnn(C)c1)C(=O)c1cnc(Cc2ccccc2)s1,90.36750000000004
+23366,Modify the molecule C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(-c3ncc[nH]3)cc2)o1 to decrease its MR value.,C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(-c3ncc[nH]3)cc2)o1,96.91740000000001
+154127,Modify the molecule CCOC[C@H]1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 to have a lower MR value.,CCOC[C@H]1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1,94.24500000000005
+179310,Modify the molecule O=C([O-])c1cc(-c2cccc(Cl)c2)oc1C(F)(F)F to have a higher MR value.,O=C([O-])c1cc(-c2cccc(Cl)c2)oc1C(F)(F)F,58.48650000000001
+117061,Please modify the molecule CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 to decrease its MR value.,CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1,96.15840000000003
+94437,Modify the molecule O=C(C[C@H]1COCCN1Cc1ccc(-c2ccccn2)cc1)N1CC=CC1 to increase its MR value.,O=C(C[C@H]1COCCN1Cc1ccc(-c2ccccn2)cc1)N1CC=CC1,105.02700000000007
+240212,Please modify the molecule CCN(CC1CC[NH2+]CC1)C(=O)c1c[nH]c(=O)[nH]1 to increase its MR value.,CCN(CC1CC[NH2+]CC1)C(=O)c1c[nH]c(=O)[nH]1,67.37430000000002
+103864,Modify the molecule C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 to have a higher MR value.,C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1,114.3965
+137845,Modify the molecule CCc1cccnc1NC(=O)c1cnc2ccc(F)cc2c1 to have a higher MR value.,CCc1cccnc1NC(=O)c1cnc2ccc(F)cc2c1,83.26920000000001
+71102,Please modify the molecule CCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1N to increase its MR value.,CCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1N,70.56620000000004
+28866,Please optimize the molecule CC(=O)[C@H](C)SCC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 to have a lower MR value.,CC(=O)[C@H](C)SCC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1,99.37770000000006
+191815,Modify the molecule CCC(CC)N(C)C(=O)N[C@@H](C)CC(=O)NC(C)C to have a higher MR value.,CCC(CC)N(C)C(=O)N[C@@H](C)CC(=O)NC(C)C,78.02240000000005
+245405,Modify the molecule CC1(C)CNC(=O)c2nc(CCn3nnc4ccccc43)[nH]c2C1 to have a lower MR value.,CC1(C)CNC(=O)c2nc(CCn3nnc4ccccc43)[nH]c2C1,89.63790000000003
+193180,Please optimize the molecule CC[C@@H]1OCCC[C@H]1C[NH2+]C(C)(C)C to have a lower MR value.,CC[C@@H]1OCCC[C@H]1C[NH2+]C(C)(C)C,59.300400000000046
+87607,Optimize the molecule O=C(Cn1c(-c2ncccn2)noc1=O)Nc1ccnn1Cc1ccccc1Cl to have a lower MR value.,O=C(Cn1c(-c2ncccn2)noc1=O)Nc1ccnn1Cc1ccccc1Cl,103.19969999999999
+210646,Modify the molecule CN(Cc1cn(C)nc1-c1cccc(Cl)c1)C[C@@H]1CCC[NH+]1C to have a lower MR value.,CN(Cc1cn(C)nc1-c1cccc(Cl)c1)C[C@@H]1CCC[NH+]1C,94.76370000000006
+78586,Modify the molecule C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N1CCCCC1 to have a lower MR value.,C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N1CCCCC1,104.18400000000007
+6050,Please optimize the molecule CCCCCNC(=O)Nc1ccnc(C(=O)N(C)C)c1 to have a higher MR value.,CCCCCNC(=O)Nc1ccnc(C(=O)N(C)C)c1,78.80090000000003
+81411,Please optimize the molecule O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1)c1ccccc1 to have a higher MR value.,O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1)c1ccccc1,108.8383
+213183,Please optimize the molecule C[C@@H](C(=O)NCc1ccccc1F)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 to have a lower MR value.,C[C@@H](C(=O)NCc1ccccc1F)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2,113.53460000000003
+12267,Optimize the molecule Cc1ccc([C@H]([NH2+]Cc2nc(-c3ccco3)no2)c2ccccc2)cc1 to have a lower MR value.,Cc1ccc([C@H]([NH2+]Cc2nc(-c3ccco3)no2)c2ccccc2)cc1,97.09340000000002
+232374,Optimize the molecule CCOc1ccc(-c2nc(C(=O)N3CCNC(=O)[C@@H]3CC)cs2)cc1 to have a lower MR value.,CCOc1ccc(-c2nc(C(=O)N3CCNC(=O)[C@@H]3CC)cs2)cc1,96.84420000000003
+123049,Modify the molecule Cc1cc(Br)cnc1SCC1(CC(=O)[O-])CC1 to have a higher MR value.,Cc1cc(Br)cnc1SCC1(CC(=O)[O-])CC1,68.68900000000002
+17586,Modify the molecule O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)N1CCc2ccccc21 to increase its MR value.,O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)N1CCc2ccccc21,93.23350000000005
+154647,Modify the molecule CC(C)Oc1ccccc1NC(=O)Cc1csc(-c2ccoc2)n1 to decrease its MR value.,CC(C)Oc1ccccc1NC(=O)Cc1csc(-c2ccoc2)n1,94.35570000000001
+229621,Optimize the molecule Cc1nc2c(s1)[C@@H]([NH+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 to have a lower MR value.,Cc1nc2c(s1)[C@@H]([NH+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2,89.17190000000004
+201045,Please optimize the molecule Cc1csc(CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1 to have a lower MR value.,Cc1csc(CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1,86.03320000000004
+73959,Modify the molecule O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1ccc(Cl)c(Cl)c1 to decrease its MR value.,O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1ccc(Cl)c(Cl)c1,119.92870000000002
+27957,Please modify the molecule Cc1cccc(OCC(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)c1 to increase its MR value.,Cc1cccc(OCC(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)c1,108.39140000000002
+18228,Please modify the molecule O=C(NNc1cccc(Cl)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 to decrease its MR value.,O=C(NNc1cccc(Cl)c1)[C@H]1CCC[C@H](C(F)(F)F)C1,74.72040000000003
+181192,Modify the molecule CCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC to increase its MR value.,CCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC,129.67970000000003
+52620,Modify the molecule C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1=O to increase its MR value.,C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1=O,97.40240000000006
+88546,Optimize the molecule Cc1ccc(C[C@@H](C)N(C)C(=O)CC2CCC2)cc1 to have a higher MR value.,Cc1ccc(C[C@@H](C)N(C)C(=O)CC2CCC2)cc1,79.07300000000005
+47813,Please optimize the molecule CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 to have a higher MR value.,CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1,103.51270000000007
+35045,Optimize the molecule Cc1cccc(N2N=C(C(=O)N3CCN(Cc4cccs4)CC3)CCC2=O)c1 to have a lower MR value.,Cc1cccc(N2N=C(C(=O)N3CCN(Cc4cccs4)CC3)CCC2=O)c1,111.51000000000005
+45032,Please optimize the molecule COc1ccc(C(=O)N(C)Cc2nc3c(s2)CCCC3)c(OC)c1 to have a higher MR value.,COc1ccc(C(=O)N(C)Cc2nc3c(s2)CCCC3)c(OC)c1,94.09950000000003
+4014,Modify the molecule CCC[C@@](C)(CO)NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 to have a lower MR value.,CCC[C@@](C)(CO)NC(=O)Nc1ccc(N2CCc3sccc3C2)cc1,108.06820000000003
+202566,Please optimize the molecule N#CCOc1cccc(CC(=O)N[C@@H](C(N)=O)c2ccccc2)c1 to have a higher MR value.,N#CCOc1cccc(CC(=O)N[C@@H](C(N)=O)c2ccccc2)c1,87.77410000000003
+182151,Modify the molecule CCC[NH2+][C@@]1(CO)CCC[C@H](Sc2nnc(C)n2C)C1 to have a higher MR value.,CCC[NH2+][C@@]1(CO)CCC[C@H](Sc2nnc(C)n2C)C1,80.75320000000005
+24839,Modify the molecule COc1cccc([C@@H]2[NH2+][C@@](C)(C(=O)[O-])[C@@H]3C(=O)N(C)C(=O)[C@H]23)c1O to have a higher MR value.,COc1cccc([C@@H]2[NH2+][C@@](C)(C(=O)[O-])[C@@H]3C(=O)N(C)C(=O)[C@H]23)c1O,77.49420000000002
+239240,Modify the molecule C[C@@H](CNC(=O)c1ccccc1)Nc1ccccc1 to decrease its MR value.,C[C@@H](CNC(=O)c1ccccc1)Nc1ccccc1,78.30190000000005
+165819,Please optimize the molecule Cn1cc[nH+]c1-c1cccc(NC(=O)c2cn(-c3ccccc3)nn2)c1 to have a lower MR value.,Cn1cc[nH+]c1-c1cccc(NC(=O)c2cn(-c3ccccc3)nn2)c1,96.71690000000001
+206259,Optimize the molecule CCOc1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)cc1 to have a lower MR value.,CCOc1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)cc1,110.75240000000002
+118425,Optimize the molecule CC(C)Oc1cccc([C@@H]([NH3+])c2ccc(F)c(Cl)c2)c1 to have a lower MR value.,CC(C)Oc1cccc([C@@H]([NH3+])c2ccc(F)c(Cl)c2)c1,78.34710000000003
+122818,Modify the molecule COc1ccc([N+](=O)[O-])cc1OC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 to have a higher MR value.,COc1ccc([N+](=O)[O-])cc1OC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1,107.4559
+228007,Please optimize the molecule Cc1ccc(CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1O to have a lower MR value.,Cc1ccc(CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1O,90.69750000000005
+74758,Modify the molecule CCOCc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 to decrease its MR value.,CCOCc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1,100.81820000000003
+167808,Modify the molecule COc1cc(CC(=O)Nc2ccc(C)cn2)ccc1C to have a lower MR value.,COc1cc(CC(=O)Nc2ccc(C)cn2)ccc1C,79.03870000000003
+242128,Optimize the molecule CCC1(CC)CC[NH+]([C@@H]2CC[C@@](C#N)(NC)C2)C1 to have a higher MR value.,CCC1(CC)CC[NH+]([C@@H]2CC[C@@](C#N)(NC)C2)C1,73.37140000000005
+177122,Modify the molecule CCOC[C@H]1CCCN(C(=O)c2cccc(-c3ccccc3OCC)c2)C1 to increase its MR value.,CCOC[C@H]1CCCN(C(=O)c2cccc(-c3ccccc3OCC)c2)C1,108.16750000000006
+55633,Optimize the molecule Cc1ccccc1-c1noc(-c2ccccc2C(=O)NC[C@@H]2CCCO2)n1 to have a higher MR value.,Cc1ccccc1-c1noc(-c2ccccc2C(=O)NC[C@@H]2CCCO2)n1,101.21420000000003
+63248,Modify the molecule C[C@H]1OCC[C@H]1C(=O)N(C)CCCOc1ccc(F)cc1 to have a higher MR value.,C[C@H]1OCC[C@H]1C(=O)N(C)CCCOc1ccc(F)cc1,77.67000000000004
+164037,Optimize the molecule CCc1[nH+]cnc(N2CCCC[C@H]2C(=O)[O-])c1C to have a higher MR value.,CCc1[nH+]cnc(N2CCCC[C@H]2C(=O)[O-])c1C,64.89970000000002
+157732,Modify the molecule CN(CC(=O)[O-])C(=O)c1ccccn1 to increase its MR value.,CN(CC(=O)[O-])C(=O)c1ccccn1,46.204500000000024
+224980,Modify the molecule COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 to have a lower MR value.,COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1,93.73770000000005
+28714,Please modify the molecule Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(c2cnccn2)CC1 to decrease its MR value.,Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(c2cnccn2)CC1,107.39350000000003
+96443,Please modify the molecule Nc1c(Cl)cc(NC(=O)c2ccc3c(c2)OCO3)cc1Cl to increase its MR value.,Nc1c(Cl)cc(NC(=O)c2ccc3c(c2)OCO3)cc1Cl,81.39260000000002
+33298,Modify the molecule COCCOc1ccc([C@H]([NH3+])C(=O)[O-])cc1OC to decrease its MR value.,COCCOc1ccc([C@H]([NH3+])C(=O)[O-])cc1OC,61.00110000000004
+121254,Please optimize the molecule CC(C)c1nn(C)c2sc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cc12 to have a higher MR value.,CC(C)c1nn(C)c2sc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cc12,103.79420000000005
+136065,Modify the molecule COc1ccc(Nc2ncnc3c2c(C)c(C)n3CCC[NH+](C)C)cc1 to increase its MR value.,COc1ccc(Nc2ncnc3c2c(C)c(C)n3CCC[NH+](C)C)cc1,105.57340000000003
+13291,Modify the molecule COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@H](C)OC)C1 to decrease its MR value.,COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@H](C)OC)C1,71.57200000000005
+28804,Modify the molecule O=C(C1CC1)N1CCC[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C1 to have a lower MR value.,O=C(C1CC1)N1CCC[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C1,77.38700000000004
+180355,Modify the molecule Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1F to have a higher MR value.,Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1F,75.68910000000004
+113706,Optimize the molecule CCC[NH+]1CCN([C@@H](CC)CC(N)=S)CC1 to have a higher MR value.,CCC[NH+]1CCN([C@@H](CC)CC(N)=S)CC1,72.90910000000004
+222955,Please modify the molecule N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)oc1N1CCN(c2ccccc2)CC1 to increase its MR value.,N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)oc1N1CCN(c2ccccc2)CC1,125.51480000000002
+244413,Modify the molecule Cc1c(NC(=O)c2cc[n+]([O-])cc2)cccc1N1CCOC1=O to have a lower MR value.,Cc1c(NC(=O)c2cc[n+]([O-])cc2)cccc1N1CCOC1=O,83.22820000000003
+141416,Please optimize the molecule Cc1ccc(/N=N/c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 to have a lower MR value.,Cc1ccc(/N=N/c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1,84.66770000000002
+221258,Please modify the molecule CC(C)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 to decrease its MR value.,CC(C)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1,66.30940000000002
+183233,Modify the molecule Cc1c(NCc2nccn2C(F)F)cccc1N1CCOC1=O to increase its MR value.,Cc1c(NCc2nccn2C(F)F)cccc1N1CCOC1=O,80.67970000000003
+183171,Modify the molecule Cc1n[nH]c(C(=O)Nc2cc(C(=O)[O-])[nH]n2)n1 to have a higher MR value.,Cc1n[nH]c(C(=O)Nc2cc(C(=O)[O-])[nH]n2)n1,51.991099999999996
+29283,Please optimize the molecule CCc1nc(CS(=O)(=O)CC(=O)N(c2ccccc2)C(C)C)no1 to have a lower MR value.,CCc1nc(CS(=O)(=O)CC(=O)N(c2ccccc2)C(C)C)no1,90.23080000000004
+107425,Please optimize the molecule Cc1nc(N(C)Cc2cccc(OC(F)F)c2)c2cnn(C)c2n1 to have a lower MR value.,Cc1nc(N(C)Cc2cccc(OC(F)F)c2)c2cnn(C)c2n1,86.22200000000004
+187234,Please modify the molecule Cc1nc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cs1 to decrease its MR value.,Cc1nc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cs1,109.03350000000003
+122572,Modify the molecule Cn1c(-c2ccccc2)cnc1SCCCN1C(=O)NC(C)(C)C1=O to have a lower MR value.,Cn1c(-c2ccccc2)cnc1SCCCN1C(=O)NC(C)(C)C1=O,98.30870000000006
+214691,Please modify the molecule N#Cc1ccc(F)c(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 to decrease its MR value.,N#Cc1ccc(F)c(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1,90.93200000000004
+151271,Optimize the molecule CNC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2 to have a lower MR value.,CNC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2,103.38340000000004
+36876,Modify the molecule Cc1csc(SCc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)n1 to have a lower MR value.,Cc1csc(SCc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)n1,103.3722
+242983,Modify the molecule C[C@H](OC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 to have a lower MR value.,C[C@H](OC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccc(Cl)cc1,101.02850000000004
+227579,Please optimize the molecule CC1CCC(N2C[C@H](C(=O)NCCCn3nc4ccccn4c3=O)CC2=O)CC1 to have a higher MR value.,CC1CCC(N2C[C@H](C(=O)NCCCn3nc4ccccn4c3=O)CC2=O)CC1,108.31870000000006
+148128,Modify the molecule O=C1c2ccccc2C(=O)N1CSc1nnc2[nH]c3ccccc3n12 to decrease its MR value.,O=C1c2ccccc2C(=O)N1CSc1nnc2[nH]c3ccccc3n12,92.5097
+46350,Please optimize the molecule Cc1c(C(=O)O[C@H](c2ccccc2)c2ccncc2)cnn1C(C)C to have a lower MR value.,Cc1c(C(=O)O[C@H](c2ccccc2)c2ccncc2)cnn1C(C)C,95.28650000000005
+50083,Optimize the molecule O=C(CCn1cnnn1)N[C@H]1CN(C(=O)C2CCC2)C[C@@H]1C1CC1 to have a higher MR value.,O=C(CCn1cnnn1)N[C@H]1CN(C(=O)C2CCC2)C[C@@H]1C1CC1,84.49970000000005
+239029,Modify the molecule O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F to increase its MR value.,O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F,118.38520000000003
+156112,Optimize the molecule Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC[C@@H](C(=O)NC2CC2)C1 to have a lower MR value.,Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC[C@@H](C(=O)NC2CC2)C1,99.97540000000005
+150284,Optimize the molecule O=C(CCc1cccc(Cl)c1)Nc1ccc(F)cc1 to have a lower MR value.,O=C(CCc1cccc(Cl)c1)Nc1ccc(F)cc1,74.80270000000003
+192586,Modify the molecule CC(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1 to increase its MR value.,CC(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1,77.89400000000005
+167245,Please modify the molecule CCc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(Cc3cccnc3)c2[O-])cc1 to increase its MR value.,CCc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(Cc3cccnc3)c2[O-])cc1,113.1795
+204221,Please modify the molecule C=C(C)C[NH+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 to decrease its MR value.,C=C(C)C[NH+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2,78.26910000000005
+72628,Please modify the molecule COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 to increase its MR value.,COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1,131.8282
+70159,Please modify the molecule C[C@@H]([NH3+])c1cc(Br)ccc1OC[C@H]1COc2ccccc21 to increase its MR value.,C[C@@H]([NH3+])c1cc(Br)ccc1OC[C@H]1COc2ccccc21,85.61810000000004
+19804,Please optimize the molecule N#CCN(CC#N)c1ncnc(Nc2cccc3ncccc23)c1N to have a higher MR value.,N#CCN(CC#N)c1ncnc(Nc2cccc3ncccc23)c1N,94.90910000000002
+14301,Modify the molecule C[NH2+]Cc1ccc(-c2cc(C)ccc2F)s1 to decrease its MR value.,C[NH2+]Cc1ccc(-c2cc(C)ccc2F)s1,66.00340000000003
+158667,Modify the molecule COc1ccc(C[NH+]2CCC[C@H](C(=O)NCC(F)(F)F)C2)cc1O to increase its MR value.,COc1ccc(C[NH+]2CCC[C@H](C(=O)NCC(F)(F)F)C2)cc1O,80.84820000000002
+155801,Please optimize the molecule CS[C@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 to have a lower MR value.,CS[C@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1,84.37010000000004
+74222,Modify the molecule CC(C)(C(=O)NCCc1c[nH]c2cc(F)ccc12)S(=O)(=O)c1ccc(Br)cc1 to increase its MR value.,CC(C)(C(=O)NCCc1c[nH]c2cc(F)ccc12)S(=O)(=O)c1ccc(Br)cc1,110.37720000000002
+68163,Please optimize the molecule C[C@H]1CC(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)C[C@@H](C)O1 to have a lower MR value.,C[C@H]1CC(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)C[C@@H](C)O1,100.04400000000005
+243514,Optimize the molecule CCNC(=O)c1cccc(NC(=O)CN2CCOC[C@H]2CC(C)C)c1 to have a higher MR value.,CCNC(=O)c1cccc(NC(=O)CN2CCOC[C@H]2CC(C)C)c1,98.71390000000005
+16943,Modify the molecule O=C(COc1ccccc1)N1CCC[C@H](C(F)(F)F)C1 to decrease its MR value.,O=C(COc1ccccc1)N1CCC[C@H](C(F)(F)F)C1,67.29600000000002
+203314,Please optimize the molecule O=C([O-])c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 to have a higher MR value.,O=C([O-])c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1,71.68270000000001
+245159,Modify the molecule CC(C)N1C(=O)Cc2ccccc2[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 to have a higher MR value.,CC(C)N1C(=O)Cc2ccccc2[C@@H]1C(=O)NCc1ccc(N(C)C)cc1,107.48470000000006
+85887,Modify the molecule CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)CC(C)(C)O to increase its MR value.,CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)CC(C)(C)O,75.03590000000004
+121750,Modify the molecule CC[C@H]1C(=O)N[C@H](C2CC2)C(=O)N1C1C(C)(C)C1(C)C to have a higher MR value.,CC[C@H]1C(=O)N[C@H](C2CC2)C(=O)N1C1C(C)(C)C1(C)C,76.92970000000005
+73776,Modify the molecule Cc1cnc(N(C)C[C@@H]2CC[NH2+]C2)nc1Cl to increase its MR value.,Cc1cnc(N(C)C[C@@H]2CC[NH2+]C2)nc1Cl,64.81540000000003
+7520,Modify the molecule C[C@H](Cc1cccs1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 to increase its MR value.,C[C@H](Cc1cccs1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1,79.71240000000002
+84455,Modify the molecule Fc1ccccc1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 to have a lower MR value.,Fc1ccccc1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12,86.80640000000001
+119377,Modify the molecule CCC[NH+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c(F)cccc1Cl)C2 to decrease its MR value.,CCC[NH+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c(F)cccc1Cl)C2,84.81320000000004
+233774,Modify the molecule c1cncc(-c2n[nH]cc2CNc2ccccc2Cn2cncn2)c1 to increase its MR value.,c1cncc(-c2n[nH]cc2CNc2ccccc2Cn2cncn2)c1,94.71140000000001
+179565,Please optimize the molecule C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O to have a lower MR value.,C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O,86.44770000000004
+75604,Please optimize the molecule Cc1ccc(-n2c(SCc3nc(CC(C)C)no3)nnc2N2CCCC2)cc1 to have a higher MR value.,Cc1ccc(-n2c(SCc3nc(CC(C)C)no3)nnc2N2CCCC2)cc1,109.94400000000003
+49192,Optimize the molecule C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3nc4ccccc4s3)cc2)C1 to have a lower MR value.,C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3nc4ccccc4s3)cc2)C1,119.01630000000004
+44302,Modify the molecule Cc1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1Cl to have a higher MR value.,Cc1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1Cl,118.10390000000002
+109036,Optimize the molecule COCCN1C[C@H](C(=O)NCc2cscn2)CC1=O to have a higher MR value.,COCCN1C[C@H](C(=O)NCc2cscn2)CC1=O,70.52370000000003
+212439,Please optimize the molecule Cc1c(Cc2nc(C(C)(C)C)cs2)cccc1C(=O)[O-] to have a higher MR value.,Cc1c(Cc2nc(C(C)(C)C)cs2)cccc1C(=O)[O-],79.12950000000004
+20660,Modify the molecule CC[NH+]1CC[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)[C@H](C)C1 to decrease its MR value.,CC[NH+]1CC[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)[C@H](C)C1,95.52910000000006
+172526,Modify the molecule Cc1ccc(N2C(=O)N(Cc3cc4c(cc3Br)OCO4)C(=O)[C@@H]2C)cc1 to increase its MR value.,Cc1ccc(N2C(=O)N(Cc3cc4c(cc3Br)OCO4)C(=O)[C@@H]2C)cc1,99.33100000000003
+217703,Modify the molecule C[C@]1(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)Cc2ccccc2C(=O)O1 to decrease its MR value.,C[C@]1(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)Cc2ccccc2C(=O)O1,110.7014
+182258,Please modify the molecule COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)Cc1cccs1 to decrease its MR value.,COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)Cc1cccs1,90.46370000000005
+137089,Modify the molecule CCN[C@H]1CC[NH+](Cc2cccc(F)c2)C1 to increase its MR value.,CCN[C@H]1CC[NH+](Cc2cccc(F)c2)C1,62.88240000000004
+231251,Modify the molecule CO[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 to have a higher MR value.,CO[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1,71.30480000000004
+147687,Modify the molecule C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C#CCCO)n1 to increase its MR value.,C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C#CCCO)n1,74.96850000000002
+93063,Please modify the molecule CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)c(C)c3)ccc21 to increase its MR value.,CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)c(C)c3)ccc21,103.51530000000001
+212359,Modify the molecule COc1ccc(-c2cc(/C([O-])=C(\C#N)C(=O)NC(C)C)sc2C)cc1 to decrease its MR value.,COc1ccc(-c2cc(/C([O-])=C(\C#N)C(=O)NC(C)C)sc2C)cc1,96.85570000000003
+200921,Modify the molecule CS(=O)(=O)[C@H]1CCC[C@H](n2c(=O)[nH]c3ccccc3c2=O)C1 to increase its MR value.,CS(=O)(=O)[C@H]1CCC[C@H](n2c(=O)[nH]c3ccccc3c2=O)C1,84.96550000000003
+178925,Modify the molecule CCc1[nH]c(CN2CCN(c3cc(C(N)=O)ccn3)CC2)c(C)[nH+]1 to have a lower MR value.,CCc1[nH]c(CN2CCN(c3cc(C(N)=O)ccn3)CC2)c(C)[nH+]1,91.70830000000004
+170246,Please optimize the molecule COc1cc(NS(=O)(=O)c2cc(Cl)ccc2C)ccc1NC(C)=O to have a higher MR value.,COc1cc(NS(=O)(=O)c2cc(Cl)ccc2C)ccc1NC(C)=O,94.29520000000005
+45996,Please modify the molecule C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)C1CCCC1 to decrease its MR value.,C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)C1CCCC1,74.39120000000004
+129238,Please optimize the molecule Cc1nc2cc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)ccc2o1 to have a higher MR value.,Cc1nc2cc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)ccc2o1,92.11070000000001
+127216,Optimize the molecule CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(C(=O)c2cnccn2)C3)c(OCC)n1 to have a lower MR value.,CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(C(=O)c2cnccn2)C3)c(OCC)n1,107.03330000000004
+51722,Modify the molecule Cc1ccn(CCC(=O)N2CCCC[C@H]2c2cc[nH]n2)n1 to decrease its MR value.,Cc1ccn(CCC(=O)N2CCCC[C@H]2c2cc[nH]n2)n1,78.47370000000004
+167763,Please modify the molecule COc1ccc(F)cc1NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 to increase its MR value.,COc1ccc(F)cc1NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1,97.08540000000002
+204932,Modify the molecule O=C(NCCn1cc[nH+]c1)c1ccc(Br)cc1 to decrease its MR value.,O=C(NCCn1cc[nH+]c1)c1ccc(Br)cc1,67.46290000000002
+38366,Please modify the molecule CON(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 to increase its MR value.,CON(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1,67.06940000000002
+122193,Please modify the molecule CC(C)c1ocnc1CS(=O)(=O)c1ccccc1C#N to increase its MR value.,CC(C)c1ocnc1CS(=O)(=O)c1ccccc1C#N,72.63880000000003
+73585,Please modify the molecule Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)oc2ccccc12 to decrease its MR value.,Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)oc2ccccc12,84.43140000000005
+46596,Please optimize the molecule CC(=O)N1CCc2c(NCCOC(C)C)nc(C)[nH+]c2C1 to have a higher MR value.,CC(=O)N1CCc2c(NCCOC(C)C)nc(C)[nH+]c2C1,79.90240000000004
+183053,Please optimize the molecule C=C1c2ccccc2NC(=O)N1C[C@H](c1c(F)cccc1Cl)[NH+](C)C to have a higher MR value.,C=C1c2ccccc2NC(=O)N1C[C@H](c1c(F)cccc1Cl)[NH+](C)C,98.16240000000003
+240783,Optimize the molecule CCc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(Cl)nc2)cc1 to have a lower MR value.,CCc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(Cl)nc2)cc1,93.48070000000004
+209008,Please modify the molecule CNC(=O)c1ncccc1[C@H](O)c1ccc(C)cc1 to decrease its MR value.,CNC(=O)c1ncccc1[C@H](O)c1ccc(C)cc1,72.86800000000002
+187247,Modify the molecule CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(-n4ccnc4)nc3)n2)cc1 to decrease its MR value.,CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(-n4ccnc4)nc3)n2)cc1,115.5622
+120971,Optimize the molecule Cc1cc(CC(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)no1 to have a lower MR value.,Cc1cc(CC(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)no1,85.97900000000003
+162066,Modify the molecule C[C@H](NC(=O)N1CC[C@H](c2ccccc2)C1)c1nc(C(C)(C)C)no1 to have a lower MR value.,C[C@H](NC(=O)N1CC[C@H](c2ccccc2)C1)c1nc(C(C)(C)C)no1,95.31770000000006
+204411,Please modify the molecule C[C@H](NC(=O)[C@@H](C)N1CCN(CC(N)=O)CC1)c1ccc(F)cc1 to decrease its MR value.,C[C@H](NC(=O)[C@@H](C)N1CCN(CC(N)=O)CC1)c1ccc(F)cc1,89.62710000000004
+73022,Optimize the molecule C=CCN(Cc1cccc(C#N)c1)C(=O)CS[C@H]1CCS(=O)(=O)C1 to have a lower MR value.,C=CCN(Cc1cccc(C#N)c1)C(=O)CS[C@H]1CCS(=O)(=O)C1,96.28780000000005
+232805,Modify the molecule Cc1csc(N(CC(F)(F)F)C(=O)C2C[C@H](C)O[C@H](C)C2)n1 to have a higher MR value.,Cc1csc(N(CC(F)(F)F)C(=O)C2C[C@H](C)O[C@H](C)C2)n1,77.99200000000005
+84075,Optimize the molecule O=C1Nc2c(Cl)ccc(Cl)c2C12OCCCO2 to have a lower MR value.,O=C1Nc2c(Cl)ccc(Cl)c2C12OCCCO2,63.29070000000002
+156880,Modify the molecule O=C(Cn1cncn1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 to decrease its MR value.,O=C(Cn1cncn1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1,86.80700000000004
+223235,Optimize the molecule CC1=C(C(=O)Nc2cccc(F)c2)C2(CCN(S(C)(=O)=O)CC2)OC1=O to have a lower MR value.,CC1=C(C(=O)Nc2cccc(F)c2)C2(CCN(S(C)(=O)=O)CC2)OC1=O,92.20350000000005
+129774,Optimize the molecule C[C@H]1COC[C@H](C)N1C(=O)c1cc(F)c(F)cc1Cl to have a higher MR value.,C[C@H]1COC[C@H](C)N1C(=O)c1cc(F)c(F)cc1Cl,67.28050000000002
+35493,Optimize the molecule CCOc1ccc(CCC2CCN(C(=O)c3cccnc3-n3cncn3)CC2)cc1 to have a higher MR value.,CCOc1ccc(CCC2CCN(C(=O)c3cccnc3-n3cncn3)CC2)cc1,113.71350000000002
+113211,Modify the molecule CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2 to have a higher MR value.,CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2,99.79970000000004
+170964,Modify the molecule CCn1cncc1Cn1ccc(-c2cccc(-c3cnccc3C)c2)n1 to have a higher MR value.,CCn1cncc1Cn1ccc(-c2cccc(-c3cnccc3C)c2)n1,102.63400000000003
+139503,Optimize the molecule C/C(=N\Nc1nc(SCC(=O)Nc2ccccn2)n[nH]1)c1cccs1 to have a higher MR value.,C/C(=N\Nc1nc(SCC(=O)Nc2ccccn2)n[nH]1)c1cccs1,100.12610000000001
+219037,Modify the molecule CCC(=O)Nc1cccc(C(=O)N[C@H](C)COC)c1 to have a higher MR value.,CCC(=O)Nc1cccc(C(=O)N[C@H](C)COC)c1,74.16690000000004
+85790,Modify the molecule COc1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)ccc1N1CCCC1=O to have a higher MR value.,COc1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)ccc1N1CCCC1=O,122.81810000000004
+102099,Please optimize the molecule CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 to have a higher MR value.,CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1,116.46600000000002
+198216,Please optimize the molecule CC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)NC1C(C)(C)C1(C)C to have a higher MR value.,CC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)NC1C(C)(C)C1(C)C,77.05270000000004
+179950,Optimize the molecule CCSC[C@@H]([NH3+])c1ccc(Cl)c(OC)c1 to have a lower MR value.,CCSC[C@@H]([NH3+])c1ccc(Cl)c(OC)c1,66.63210000000004
+61558,Optimize the molecule O=C(NCc1cccs1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 to have a higher MR value.,O=C(NCc1cccs1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1,103.33700000000003
+11460,Modify the molecule C#CCNCC(=O)Nc1nnc(C2CC2)o1 to decrease its MR value.,C#CCNCC(=O)Nc1nnc(C2CC2)o1,56.60540000000002
+158819,Optimize the molecule Cc1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])c1 to have a higher MR value.,Cc1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])c1,84.38880000000002
+8415,Optimize the molecule Cc1nc2ccccc2n(CCCNC(=O)[C@H]2CCOc3ccccc32)c1=O to have a higher MR value.,Cc1nc2ccccc2n(CCCNC(=O)[C@H]2CCOc3ccccc32)c1=O,107.66170000000005
+184837,Modify the molecule COC(=O)c1cn(Cc2cccs2)cc(C(=O)OC)c1=O to have a lower MR value.,COC(=O)c1cn(Cc2cccs2)cc(C(=O)OC)c1=O,76.80200000000002
+226121,Modify the molecule NC(=O)C1CCN(c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[N+](=O)[O-])CC1 to have a lower MR value.,NC(=O)C1CCN(c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[N+](=O)[O-])CC1,101.53900000000004
+19593,Modify the molecule COc1ccc(C(C)=O)cc1CC(=O)N(C)CC(=O)N(C)C to have a higher MR value.,COc1ccc(C(C)=O)cc1CC(=O)N(C)CC(=O)N(C)C,83.03350000000003
+1753,Please optimize the molecule CCC(=O)NCc1ccc(-c2noc([C@H]3CCCO3)n2)s1 to have a lower MR value.,CCC(=O)NCc1ccc(-c2noc([C@H]3CCCO3)n2)s1,77.67570000000003
+68196,Please optimize the molecule CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 to have a higher MR value.,CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCN(C(=O)c2cccc(Cl)c2)CC1,104.64390000000006
+177424,Please modify the molecule CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccnc(Cl)c1 to increase its MR value.,CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccnc(Cl)c1,88.31440000000003
+222907,Modify the molecule O=C(NCc1ccc(CN2CCOCC2)cc1)N1CCc2cc(F)ccc2C1 to decrease its MR value.,O=C(NCc1ccc(CN2CCOCC2)cc1)N1CCc2cc(F)ccc2C1,105.28770000000006
+192327,Modify the molecule CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2Cl)C1(C)C to have a lower MR value.,CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2Cl)C1(C)C,83.61940000000003
+51334,Optimize the molecule Cn1cc(CCC(=O)N2CCC(O)(C(F)(F)F)CC2)c2ccccc21 to have a higher MR value.,Cn1cc(CCC(=O)N2CCC(O)(C(F)(F)F)CC2)c2ccccc21,88.05880000000003
+56695,Optimize the molecule [NH3+][C@@H]1C=C[C@@H](c2nc(-c3cc(F)cc(Br)c3)no2)C1 to have a higher MR value.,[NH3+][C@@H]1C=C[C@@H](c2nc(-c3cc(F)cc(Br)c3)no2)C1,70.5661
+164659,Please optimize the molecule CCCCSc1snc(O)c1C#N to have a lower MR value.,CCCCSc1snc(O)c1C#N,54.12580000000003
+51034,Please optimize the molecule C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)C(C)(C)C to have a lower MR value.,C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)C(C)(C)C,78.58340000000004
+138954,Please optimize the molecule O=C(CCCCl)Nc1nc2c(Cl)cc(Cl)cc2s1 to have a higher MR value.,O=C(CCCCl)Nc1nc2c(Cl)cc(Cl)cc2s1,78.22370000000002
+182102,Modify the molecule COc1ccc(/C=C/C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1 to have a lower MR value.,COc1ccc(/C=C/C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1,97.89810000000003
+89728,Modify the molecule CC[C@@H]1[NH2+]CC[C@H]1c1c[nH+]cn1C(C)C to decrease its MR value.,CC[C@@H]1[NH2+]CC[C@H]1c1c[nH+]cn1C(C)C,59.60210000000004
+210788,Modify the molecule C1=C[C@@H]2c3cccc(OCc4ccccc4)c3N[C@H](c3cccnc3)[C@H]2C1 to decrease its MR value.,C1=C[C@@H]2c3cccc(OCc4ccccc4)c3N[C@H](c3cccnc3)[C@H]2C1,107.80470000000004
+145048,Modify the molecule CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C(C)(C)C)C1 to have a higher MR value.,CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C(C)(C)C)C1,124.39000000000009
+219566,Modify the molecule C[C@H]1CCC[C@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C to have a higher MR value.,C[C@H]1CCC[C@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C,83.21250000000003
+113992,Please modify the molecule O=S(=O)(Cc1cc(Cl)ccc1F)N(Cc1ccccn1)c1ccncc1 to increase its MR value.,O=S(=O)(Cc1cc(Cl)ccc1F)N(Cc1ccccn1)c1ccncc1,98.69080000000001
+182862,Modify the molecule N#C[C@H]1CN(C(=O)CC[NH2+]C2CC2)CCO1 to increase its MR value.,N#C[C@H]1CN(C(=O)CC[NH2+]C2CC2)CCO1,56.36440000000003
+148312,Optimize the molecule CCC(CC)([C@H](O)c1cnccn1)[NH+](C)C to have a higher MR value.,CCC(CC)([C@H](O)c1cnccn1)[NH+](C)C,63.11550000000005
+21519,Modify the molecule [NH3+][C@H]1CCc2[nH]c3ccc(O)cc3c2C1 to have a higher MR value.,[NH3+][C@H]1CCc2[nH]c3ccc(O)cc3c2C1,58.664600000000014
+13406,Please modify the molecule CCC1(CC)[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](C)[C@@H]1OC to increase its MR value.,CCC1(CC)[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](C)[C@@H]1OC,73.83270000000006
+118392,Please optimize the molecule C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cn(C)nc2-c2cccs2)CC1 to have a lower MR value.,C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cn(C)nc2-c2cccs2)CC1,109.39740000000005
+174471,Optimize the molecule O=C1NCCN(Cc2cccc3c2OCCCO3)[C@@H]1c1ccccc1 to have a higher MR value.,O=C1NCCN(Cc2cccc3c2OCCCO3)[C@@H]1c1ccccc1,94.65170000000005
+169466,Modify the molecule CCOc1ccc(Oc2cc(CNC(=O)[C@H]3CCO[C@@H]3C)ccn2)cc1 to have a higher MR value.,CCOc1ccc(Oc2cc(CNC(=O)[C@H]3CCO[C@@H]3C)ccn2)cc1,97.28970000000004
+161991,Please modify the molecule Cc1nc(C)n(CC[C@@H]2CCC[C@]2(N)C#N)n1 to decrease its MR value.,Cc1nc(C)n(CC[C@@H]2CCC[C@]2(N)C#N)n1,63.985400000000034
+47830,Please optimize the molecule C[C@H](Nc1nc2ccc(Cl)cn2n1)c1nncn1C to have a higher MR value.,C[C@H](Nc1nc2ccc(Cl)cn2n1)c1nncn1C,71.03770000000002
+115632,Modify the molecule O=C(NCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 to have a higher MR value.,O=C(NCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1,113.27030000000002
+28972,Optimize the molecule c1ccc(-c2ncc(C[NH2+]C[C@H]3CN4CCCC[C@@H]4CO3)s2)nc1 to have a higher MR value.,c1ccc(-c2ncc(C[NH2+]C[C@H]3CN4CCCC[C@@H]4CO3)s2)nc1,94.79340000000005
+78320,Please modify the molecule CC(C)(C)c1ccc(S(=O)(=O)n2c(C[NH+]3CCOCC3)nc3ccccc32)cc1 to increase its MR value.,CC(C)(C)c1ccc(S(=O)(=O)n2c(C[NH+]3CCOCC3)nc3ccccc32)cc1,112.67850000000004
+195854,Optimize the molecule CN1CCN(C(=O)c2ccc(Cl)cc2N)CC1 to have a lower MR value.,CN1CCN(C(=O)c2ccc(Cl)cc2N)CC1,69.26490000000004
+223873,Please optimize the molecule C[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2)c1ccccc1 to have a lower MR value.,C[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2)c1ccccc1,95.37330000000003
+178518,Optimize the molecule O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(C(=O)[O-])c1 to have a higher MR value.,O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(C(=O)[O-])c1,70.78960000000001
+106498,Modify the molecule O=C(CCc1ccco1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O to decrease its MR value.,O=C(CCc1ccco1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O,79.72880000000005
+40020,Please optimize the molecule Cc1c([C@H](O)C2(C[NH3+])CCC(C(C)(C)C)CC2)cnn1C to have a higher MR value.,Cc1c([C@H](O)C2(C[NH3+])CCC(C(C)(C)C)CC2)cnn1C,84.50590000000005
+67547,Modify the molecule COc1ncccc1CNC(=O)Nc1ccc(-n2cncn2)c(F)c1 to decrease its MR value.,COc1ncccc1CNC(=O)Nc1ccc(-n2cncn2)c(F)c1,87.96440000000003
+60,Please modify the molecule CC[C@@H](NC(=O)[C@H](C)n1cccn1)c1ccc(C)c(F)c1 to increase its MR value.,CC[C@@H](NC(=O)[C@H](C)n1cccn1)c1ccc(C)c(F)c1,79.24970000000003
+153311,Optimize the molecule CCC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 to have a lower MR value.,CCC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)c(OC(F)F)c(C)c2)C1,88.40440000000005
+219878,Please optimize the molecule Cc1ccccc1C[C@H]([NH3+])[C@H]1CCO[C@@H]1C to have a lower MR value.,Cc1ccccc1C[C@H]([NH3+])[C@H]1CCO[C@@H]1C,65.08010000000003
+118958,Please modify the molecule CN(C)C(=O)C[C@H](NC(=O)Nc1ccncc1)c1ccccc1 to decrease its MR value.,CN(C)C(=O)C[C@H](NC(=O)Nc1ccncc1)c1ccccc1,88.88540000000003
+12928,Optimize the molecule COc1ccc2c(c1)[C@H](O)[C@H](C)[C@@H]2C to have a higher MR value.,COc1ccc2c(c1)[C@H](O)[C@H](C)[C@@H]2C,55.53280000000004
+187920,Optimize the molecule Cc1nnc2n1CCC[C@H]2NC(=O)c1ccc(C#N)cn1 to have a higher MR value.,Cc1nnc2n1CCC[C@H]2NC(=O)c1ccc(C#N)cn1,73.15220000000002
+166498,Please modify the molecule CN(C[C@H]1CCC[NH+](Cc2ccc(CO)o2)C1)C(=O)OC(C)(C)C to increase its MR value.,CN(C[C@H]1CCC[NH+](Cc2ccc(CO)o2)C1)C(=O)OC(C)(C)C,90.61950000000006
+197941,Please modify the molecule CCOC(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 to increase its MR value.,CCOC(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1,79.03170000000003
+139742,Modify the molecule O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1O to have a higher MR value.,O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1O,79.62900000000002
+167210,Optimize the molecule COc1ccc(C[NH+]2CCC[C@H]([C@@H](C)O)C2)c(Cl)c1 to have a lower MR value.,COc1ccc(C[NH+]2CCC[C@H]([C@@H](C)O)C2)c(Cl)c1,76.80950000000004
+171789,Please optimize the molecule Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1C1CCCCC1 to have a higher MR value.,Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1C1CCCCC1,97.27170000000005
+143748,Please optimize the molecule O=C(c1cnccn1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 to have a higher MR value.,O=C(c1cnccn1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1,110.42950000000003
+189429,Modify the molecule C[C@@H]1CCC[C@@](C(=O)Cc2cc(Cl)ccc2Cl)([NH+](C)C)C1 to have a lower MR value.,C[C@@H]1CCC[C@@](C(=O)Cc2cc(Cl)ccc2Cl)([NH+](C)C)C1,88.34670000000006
+128480,Modify the molecule C[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ccc(Cl)s1 to increase its MR value.,C[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ccc(Cl)s1,91.34470000000003
+717,Modify the molecule CC[C@H](NC(=O)c1ccc(C#N)cn1)C(=O)N1CCOCC1 to increase its MR value.,CC[C@H](NC(=O)c1ccc(C#N)cn1)C(=O)N1CCOCC1,77.89620000000004
+219040,Please optimize the molecule CC(=O)N1CC[NH+](Cc2c(F)cccc2Cl)CC1 to have a higher MR value.,CC(=O)N1CC[NH+](Cc2c(F)cccc2Cl)CC1,68.06470000000003
+130921,Modify the molecule CN(C)c1nc(-c2ccccc2)c(CN2CCOC3(CCOCC3)C2)s1 to have a higher MR value.,CN(C)c1nc(-c2ccccc2)c(CN2CCOC3(CCOCC3)C2)s1,105.89000000000006
+120882,Please optimize the molecule COc1ccc(C2(C(=O)N3C[C@H]4CC=CC[C@H]4C3)CC2)cc1 to have a lower MR value.,COc1ccc(C2(C(=O)N3C[C@H]4CC=CC[C@H]4C3)CC2)cc1,85.84000000000005
+142981,Please optimize the molecule Cc1c(O)ccc(/C(Cc2ccc3ccccc3n2)=N\O)c1O to have a higher MR value.,Cc1c(O)ccc(/C(Cc2ccc3ccccc3n2)=N\O)c1O,88.27910000000003
+35212,Modify the molecule C[C@H]1CN(c2ncccc2S(N)(=O)=O)C[C@H](c2ccccc2)O1 to decrease its MR value.,C[C@H]1CN(c2ncccc2S(N)(=O)=O)C[C@H](c2ccccc2)O1,87.55320000000005
+120759,Please optimize the molecule Cc1ccccc1C[C@@H](C)NC(=O)CSc1nncn1-c1ccccc1 to have a higher MR value.,Cc1ccccc1C[C@@H](C)NC(=O)CSc1nncn1-c1ccccc1,104.57070000000002
+207157,Modify the molecule CCn1c(SCc2ccccc2C#N)nnc1N1CCOCC1 to decrease its MR value.,CCn1c(SCc2ccccc2C#N)nnc1N1CCOCC1,89.44600000000005
+43231,Please modify the molecule CC(C)Cc1ncc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)s1 to increase its MR value.,CC(C)Cc1ncc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)s1,96.25100000000005
+17093,Modify the molecule CCC[NH2+][C@H]1COC[C@H]1C(=O)NCc1sccc1CC to increase its MR value.,CCC[NH2+][C@H]1COC[C@H]1C(=O)NCc1sccc1CC,80.72410000000005
+122319,Modify the molecule COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](C)CC2)c1 to have a lower MR value.,COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](C)CC2)c1,97.16200000000005
+230126,Modify the molecule CCCc1sc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1CC to have a lower MR value.,CCCc1sc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1CC,96.35190000000004
+192598,Modify the molecule CC[C@@H]1CCCC[NH+]1CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O to have a higher MR value.,CC[C@@H]1CCCC[NH+]1CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O,85.58870000000005
+216314,Optimize the molecule Cc1nc(N(C)C)c2c([nH+]1)CN(C(=O)c1cc3sccc3[nH]1)CC2 to have a lower MR value.,Cc1nc(N(C)C)c2c([nH+]1)CN(C(=O)c1cc3sccc3[nH]1)CC2,94.47690000000004
+70928,Please optimize the molecule C[C@@H](Nc1ncccc1C#N)C(C)(C)C to have a higher MR value.,C[C@@H](Nc1ncccc1C#N)C(C)(C)C,61.49170000000004
+153769,Modify the molecule COc1ccccc1N1C[C@@H](C(=O)N2CCCCCC2)CC1=O to decrease its MR value.,COc1ccccc1N1C[C@@H](C(=O)N2CCCCCC2)CC1=O,88.50200000000005
+171740,Modify the molecule C[C@@H](C1CC1)N(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 to have a higher MR value.,C[C@@H](C1CC1)N(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1,97.43640000000006
+238285,Optimize the molecule CCOC(=O)C1(C)CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 to have a lower MR value.,CCOC(=O)C1(C)CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1,96.35750000000004
+167361,Please optimize the molecule Cc1csc([C@H]2CN(Cc3c(C)nn(Cc4ccccc4)c3C)CCO2)n1 to have a higher MR value.,Cc1csc([C@H]2CN(Cc3c(C)nn(Cc4ccccc4)c3C)CCO2)n1,108.06600000000005
+244550,Modify the molecule CC(C)(CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccncc1 to have a lower MR value.,CC(C)(CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccncc1,96.98640000000002
+172691,Modify the molecule COC(=O)c1ccccc1NC(=O)[C@@]1(C)CCCO1 to increase its MR value.,COC(=O)c1ccccc1NC(=O)[C@@]1(C)CCCO1,70.00220000000003
+23428,Optimize the molecule O=[N+]([O-])c1ccc(NCCSc2ncc(C(F)(F)F)cc2Cl)nc1 to have a lower MR value.,O=[N+]([O-])c1ccc(NCCSc2ncc(C(F)(F)F)cc2Cl)nc1,84.3541
+138435,Modify the molecule O=C(CCn1cccn1)Nc1ccc(Br)c2ccccc12 to have a higher MR value.,O=C(CCn1cccn1)Nc1ccc(Br)c2ccccc12,87.12170000000002
+143458,Modify the molecule C[NH+](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccs1 to decrease its MR value.,C[NH+](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccs1,108.18170000000003
+132614,Modify the molecule CC(=O)N(C)C1CCN(c2cc[nH+]c3cc(F)ccc23)CC1 to have a lower MR value.,CC(=O)N(C)C1CCN(c2cc[nH+]c3cc(F)ccc23)CC1,84.14070000000004
+171861,Please modify the molecule CCn1nccc1/C=C/C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 to increase its MR value.,CCn1nccc1/C=C/C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1,94.46270000000005
+118548,Modify the molecule c1cnc2c(c1)CC[C@H]2C[C@H]1CCC[NH2+]C1 to increase its MR value.,c1cnc2c(c1)CC[C@H]2C[C@H]1CCC[NH2+]C1,64.29940000000003
+58722,Please optimize the molecule C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccoc1 to have a higher MR value.,C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccoc1,55.08010000000002
+156690,Optimize the molecule C=CCS(=O)(=O)/N=C([O-])/C=C/c1ccc(-c2ccc(F)cc2)s1 to have a lower MR value.,C=CCS(=O)(=O)/N=C([O-])/C=C/c1ccc(-c2ccc(F)cc2)s1,90.16580000000002
+112491,Please modify the molecule CCCCn1c(=O)c2sccc2n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc12 to increase its MR value.,CCCCn1c(=O)c2sccc2n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc12,124.32370000000002
+100510,Modify the molecule N#Cc1csc(CNc2cccc3[nH]ncc23)c1 to decrease its MR value.,N#Cc1csc(CNc2cccc3[nH]ncc23)c1,72.4544
+237612,Modify the molecule O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)NC1CC1 to increase its MR value.,O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)NC1CC1,88.40690000000004
+117778,Please modify the molecule O=C(c1ccccc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCC1 to increase its MR value.,O=C(c1ccccc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCC1,101.37070000000006
+221516,Please optimize the molecule CC(C)[C@@H]1NC(=O)N(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O to have a higher MR value.,CC(C)[C@@H]1NC(=O)N(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O,97.08040000000007
+55195,Please optimize the molecule CC[NH+]1CCN(CCNC(=O)CCc2cc3cc(C)ccc3[nH]c2=O)CC1 to have a lower MR value.,CC[NH+]1CCN(CCNC(=O)CCc2cc3cc(C)ccc3[nH]c2=O)CC1,108.31410000000007
+39549,Please optimize the molecule CNC(=O)[C@H](CC(C)C)NC(=O)Cn1ccc(=O)[nH]c1=O to have a higher MR value.,CNC(=O)[C@H](CC(C)C)NC(=O)Cn1ccc(=O)[nH]c1=O,76.77510000000002
+98967,Modify the molecule COc1cccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc3ccccc3n2C)c1 to have a lower MR value.,COc1cccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc3ccccc3n2C)c1,100.10100000000006
+46899,Optimize the molecule CCN(c1ccccc1)c1ncnc(NNc2ccccc2)c1[N+](=O)[O-] to have a lower MR value.,CCN(c1ccccc1)c1ncnc(NNc2ccccc2)c1[N+](=O)[O-],101.49580000000003
+41328,Please modify the molecule CC(=O)Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@H]2C(N)=O)cc1 to decrease its MR value.,CC(=O)Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@H]2C(N)=O)cc1,91.30750000000003
+159751,Please optimize the molecule C[C@H]1OCC[C@@H]1C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl to have a higher MR value.,C[C@H]1OCC[C@@H]1C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl,83.49770000000004
+42467,Optimize the molecule O=C(Cc1cccs1)N1CCOCC1 to have a higher MR value.,O=C(Cc1cccs1)N1CCOCC1,55.42200000000003
+149638,Please modify the molecule Cc1ccc(Cn2cc(NC(=O)COc3ccc(-n4cnnn4)cc3)cn2)cc1 to decrease its MR value.,Cc1ccc(Cn2cc(NC(=O)COc3ccc(-n4cnnn4)cc3)cn2)cc1,105.78670000000001
+216701,Please modify the molecule C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)N(C)C to decrease its MR value.,C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)N(C)C,103.45500000000006
+196339,Optimize the molecule Cc1ccc(CS(=O)(=O)N(C)Cc2ccccc2)cc1 to have a lower MR value.,Cc1ccc(CS(=O)(=O)N(C)Cc2ccccc2)cc1,81.71180000000004
+84653,Optimize the molecule CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 to have a lower MR value.,CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1,101.70090000000002
+231640,Modify the molecule Cc1cc(C)c(CNc2ncnc3[nH]ncc23)c(=O)[nH]1 to decrease its MR value.,Cc1cc(C)c(CNc2ncnc3[nH]ncc23)c(=O)[nH]1,75.5471
+16025,Modify the molecule CC(C)CN(CCC(N)=S)C(=O)c1ccc(F)c(F)c1F to have a lower MR value.,CC(C)CN(CCC(N)=S)C(=O)c1ccc(F)c(F)c1F,78.4599
+159796,Modify the molecule C[NH2+][C@H](CC[C@@H]1CCCO1)c1c(F)cccc1F to decrease its MR value.,C[NH2+][C@H](CC[C@@H]1CCCO1)c1c(F)cccc1F,65.15640000000003
+165935,Please modify the molecule CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1sccc1C to increase its MR value.,CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1sccc1C,90.85800000000003
+129913,Please modify the molecule CCCCn1nc(C(=O)Nc2ccccc2C(C)C)ccc1=O to increase its MR value.,CCCCn1nc(C(=O)Nc2ccccc2C(C)C)ccc1=O,91.88920000000006
+93414,Please modify the molecule Cc1ccncc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 to increase its MR value.,Cc1ccncc1NC(=O)NC1CC[NH+](CCN(C)C)CC1,88.26810000000005
+119388,Please optimize the molecule Cc1ncc(CO)c(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)c1O to have a lower MR value.,Cc1ncc(CO)c(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)c1O,104.04300000000002
+29257,Please optimize the molecule COc1ccc([C@@H](O)C2(C#N)CCCCCC2)cc1Br to have a higher MR value.,COc1ccc([C@@H](O)C2(C#N)CCCCCC2)cc1Br,81.40180000000004
+108037,Modify the molecule Cc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3cccc(Cl)c3)CC2)c1 to have a higher MR value.,Cc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3cccc(Cl)c3)CC2)c1,125.87500000000001
+228387,Optimize the molecule COc1ccc(C[NH+]2CCCN(c3ncccn3)CC2)cc1OC(F)F to have a lower MR value.,COc1ccc(C[NH+]2CCCN(c3ncccn3)CC2)cc1OC(F)F,92.88870000000006
+66015,Modify the molecule Cc1cccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2S(=O)(=O)CC3)c1 to have a higher MR value.,Cc1cccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2S(=O)(=O)CC3)c1,105.05520000000003
+195197,Modify the molecule CCO[C@@H]1C[C@@H](OC(=O)/C=C/c2ccc(Cl)nc2)C12CCC2 to increase its MR value.,CCO[C@@H]1C[C@@H](OC(=O)/C=C/c2ccc(Cl)nc2)C12CCC2,84.47600000000004
+33387,Optimize the molecule Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1 to have a lower MR value.,Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1,106.15290000000003
+103164,Optimize the molecule O=C(CCc1ccsc1)N1CCC(OCc2cccnc2)CC1 to have a lower MR value.,O=C(CCc1ccsc1)N1CCC(OCc2cccnc2)CC1,91.26800000000006
+13747,Optimize the molecule C/C=C/C(=O)N[C@H]1CCC[C@H]1OC to have a lower MR value.,C/C=C/C(=O)N[C@H]1CCC[C@H]1OC,51.39270000000003
+86172,Modify the molecule O=C([O-])C(O)(C(=O)[O-])C(=O)[O-] to have a higher MR value.,O=C([O-])C(O)(C(=O)[O-])C(=O)[O-],19.9708
+40368,Optimize the molecule Cc1csc(C[C@]2(C[NH2+]CC(C)C)C[C@H]3CC[C@@H]2C3)n1 to have a lower MR value.,Cc1csc(C[C@]2(C[NH2+]CC(C)C)C[C@H]3CC[C@@H]2C3)n1,84.93340000000005
+2965,Optimize the molecule COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C)C2)cc1N to have a higher MR value.,COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C)C2)cc1N,79.14790000000004
+190636,Please optimize the molecule NC(=O)c1cncc(N(Cc2cccs2)Cc2cccs2)n1 to have a lower MR value.,NC(=O)c1cncc(N(Cc2cccs2)Cc2cccs2)n1,89.07490000000003
+22696,Modify the molecule c1ccc2c(c1)SC[C@@H]2C[C@H]1CCCCC[NH2+]1 to increase its MR value.,c1ccc2c(c1)SC[C@@H]2C[C@H]1CCCCC[NH2+]1,73.57240000000004
+140075,Please optimize the molecule C[C@H]1CCN(C(=O)CSc2nnc3c(n2)[nH]c2ccccc23)[C@H](C)C1 to have a higher MR value.,C[C@H]1CCN(C(=O)CSc2nnc3c(n2)[nH]c2ccccc23)[C@H](C)C1,99.48670000000004
+129525,Please modify the molecule Cc1ccc(C)c2c(C)c(C(=O)O[C@H](C)C(=O)Nc3cccnc3Cl)oc12 to decrease its MR value.,Cc1ccc(C)c2c(C)c(C(=O)O[C@H](C)C(=O)Nc3cccnc3Cl)oc12,103.17920000000002
+228197,Optimize the molecule Cc1cc(N)cc(C)c1NC(=O)c1ccc(Br)cc1O to have a higher MR value.,Cc1cc(N)cc(C)c1NC(=O)c1ccc(Br)cc1O,84.08840000000002
+130249,Modify the molecule O=C(NCCCc1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 to have a higher MR value.,O=C(NCCCc1ccc(F)cc1)c1cccc(N2CCCC2=O)c1,95.08320000000005
+221128,Modify the molecule Cc1cc(-c2csc(NCc3ccco3)n2)c(C)n1CC(F)(F)F to have a lower MR value.,Cc1cc(-c2csc(NCc3ccco3)n2)c(C)n1CC(F)(F)F,87.10370000000005
+68089,Optimize the molecule CCCN(c1ncnc(OC(C)C)c1N)C1CC1 to have a higher MR value.,CCCN(c1ncnc(OC(C)C)c1N)C1CC1,72.86740000000003
+130508,Please modify the molecule CC(C)[NH+]1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 to decrease its MR value.,CC(C)[NH+]1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1,88.35630000000003
+217935,Please modify the molecule C[C@H]1CCc2c(cnc3c(C(=O)N[C@H](C)c4ccc5c(c4)OCCO5)cnn23)C1 to increase its MR value.,C[C@H]1CCc2c(cnc3c(C(=O)N[C@H](C)c4ccc5c(c4)OCCO5)cnn23)C1,107.48920000000005
+3630,Please modify the molecule CCC[NH+](CCC)[C@@H]1CCC[C@H]([NH2+]C)C1 to decrease its MR value.,CCC[NH+](CCC)[C@@H]1CCC[C@H]([NH2+]C)C1,65.17210000000006
+146678,Modify the molecule CCC(C)(C)C1CCC(=NNC(=O)[C@H](O)c2ccccc2)CC1 to have a lower MR value.,CCC(C)(C)C1CCC(=NNC(=O)[C@H](O)c2ccccc2)CC1,93.00950000000005
+14824,Optimize the molecule CC(=O)Nc1ccc(C[NH+](C[C@@H](O)c2ccccc2)C2CC2)cc1 to have a higher MR value.,CC(=O)Nc1ccc(C[NH+](C[C@@H](O)c2ccccc2)C2CC2)cc1,94.70320000000004
+142061,Please modify the molecule CCOc1ccccc1C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC)C1 to decrease its MR value.,CCOc1ccccc1C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC)C1,128.09020000000004
+108537,Please optimize the molecule CC(C)NC(=O)C[C@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1 to have a higher MR value.,CC(C)NC(=O)C[C@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1,85.75010000000006
+162201,Modify the molecule CCCCNC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 to have a higher MR value.,CCCCNC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1,92.45580000000005
+180586,Optimize the molecule COc1ccccc1O[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2)n1 to have a higher MR value.,COc1ccccc1O[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2)n1,103.71820000000002
+41598,Optimize the molecule O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@@H](COc2ccccc2)C1 to have a higher MR value.,O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@@H](COc2ccccc2)C1,101.29200000000004
+41414,Modify the molecule O=C(N[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1)[C@H]1N=NC2=C1CCCC2 to have a lower MR value.,O=C(N[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1)[C@H]1N=NC2=C1CCCC2,103.63740000000006
+115368,Modify the molecule CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C#N)c1C to increase its MR value.,CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C#N)c1C,108.62410000000004
+118428,Please modify the molecule CCC(CC)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 to increase its MR value.,CCC(CC)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1,80.16770000000002
+183940,Please modify the molecule COC(=O)N1CCC[C@H](NC(=O)N[C@@H](C)c2c(F)cccc2Cl)C1 to increase its MR value.,COC(=O)N1CCC[C@H](NC(=O)N[C@@H](C)c2c(F)cccc2Cl)C1,88.49240000000005
+71153,Modify the molecule Cc1nn(-c2cc(Cl)ccc2Cl)nc1C(=O)[O-] to increase its MR value.,Cc1nn(-c2cc(Cl)ccc2Cl)nc1C(=O)[O-],60.446500000000015
+218139,Optimize the molecule CCO[C@@H]1C[C@H]([NH3+])[C@@H]1[NH+](C)C to have a lower MR value.,CCO[C@@H]1C[C@H]([NH3+])[C@@H]1[NH+](C)C,43.3058
+28257,Please modify the molecule CN1N=C(C(C)(C)C)[C@H]2[C@H](c3ncc[nH]3)CC(=O)N[C@@H]21 to decrease its MR value.,CN1N=C(C(C)(C)C)[C@H]2[C@H](c3ncc[nH]3)CC(=O)N[C@@H]21,76.01940000000003
+22478,Modify the molecule COc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)C3CC3)cc2)cc1 to have a higher MR value.,COc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)C3CC3)cc2)cc1,110.90650000000002
+9223,Optimize the molecule CC[C@H](CCO)C[NH2+][C@@H](C)c1sccc1C to have a lower MR value.,CC[C@H](CCO)C[NH2+][C@@H](C)c1sccc1C,69.74720000000003
+148919,Modify the molecule Cc1cccn2cc(C[S@@](=O)[C@H](C)c3nc(-c4ccccc4)no3)nc12 to have a lower MR value.,Cc1cccn2cc(C[S@@](=O)[C@H](C)c3nc(-c4ccccc4)no3)nc12,99.92440000000002
+124000,Please optimize the molecule CCn1nc(C(C)C)cc1C(=O)NC[C@@H](c1sccc1C)[NH+](C)C to have a lower MR value.,CCn1nc(C(C)C)cc1C(=O)NC[C@@H](c1sccc1C)[NH+](C)C,98.93090000000007
+44361,Optimize the molecule C[C@@H]1C[C@@H](C)CN(C(=O)NCc2cccnc2Oc2cccc(F)c2)C1 to have a higher MR value.,C[C@@H]1C[C@@H](C)CN(C(=O)NCc2cccnc2Oc2cccc(F)c2)C1,97.46470000000005
+95306,Please optimize the molecule COCC1CC[NH+](Cc2ccc(C#N)o2)CC1 to have a higher MR value.,COCC1CC[NH+](Cc2ccc(C#N)o2)CC1,62.42370000000004
+133242,Please modify the molecule C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc(Oc3ccccc3)cc2)C1=O to increase its MR value.,C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc(Oc3ccccc3)cc2)C1=O,121.0992
+168139,Modify the molecule C[C@@H](NCc1ncccc1F)c1cc(F)cc(F)c1 to decrease its MR value.,C[C@@H](NCc1ncccc1F)c1cc(F)cc(F)c1,65.80770000000003
+228392,Please modify the molecule CCc1ccc(C[C@]2(O)CCCC[C@H]2C)[nH+]c1 to increase its MR value.,CCc1ccc(C[C@]2(O)CCCC[C@H]2C)[nH+]c1,68.66150000000005
+85950,Modify the molecule Cn1c(CCC(N)=O)nn(C[NH+]2CCc3ccccc3C2)c1=S to decrease its MR value.,Cn1c(CCC(N)=O)nn(C[NH+]2CCc3ccccc3C2)c1=S,89.22710000000004
+231179,Modify the molecule CCCC(=O)Nc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 to have a lower MR value.,CCCC(=O)Nc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1,114.01220000000005
+142331,Modify the molecule CC[C@H]1C[NH+]2CCCC[C@@H]2CN1Cc1ccc(Br)s1 to decrease its MR value.,CC[C@H]1C[NH+]2CCCC[C@@H]2CN1Cc1ccc(Br)s1,84.84370000000006
+124189,Optimize the molecule Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 to have a lower MR value.,Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1,115.07280000000004
+182606,Modify the molecule CCN(CC)C(=O)[C@H](c1ccccc1)S(=O)(=O)[C@@H](C)c1ccccc1F to have a lower MR value.,CCN(CC)C(=O)[C@H](c1ccccc1)S(=O)(=O)[C@@H](C)c1ccccc1F,100.84580000000005
+94032,Optimize the molecule COc1ccc2c(c1)CCC/C2=C\CC1(C)C(=O)CCC1=O to have a higher MR value.,COc1ccc2c(c1)CCC/C2=C\CC1(C)C(=O)CCC1=O,85.88100000000004
+36537,Please modify the molecule C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)Nc1ccc2c(c1)OCCO2 to increase its MR value.,C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)Nc1ccc2c(c1)OCCO2,100.96520000000004
+2217,Optimize the molecule Cc1cc(NC(=O)CCS(=O)(=O)[C@H](C)c2ccccc2)no1 to have a lower MR value.,Cc1cc(NC(=O)CCS(=O)(=O)[C@H](C)c2ccccc2)no1,83.13050000000004
+51471,Modify the molecule COC(=O)c1ccc(CCC(=O)N(CC#N)CC#N)cc1 to increase its MR value.,COC(=O)c1ccc(CCC(=O)N(CC#N)CC#N)cc1,73.90850000000003
+249432,Modify the molecule CSCC[C@@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 to decrease its MR value.,CSCC[C@@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1,96.34870000000004
+73558,Please modify the molecule Cc1cccc2c1N(Cc1ccc(Cl)cc1)C(=O)C21OCCCO1 to decrease its MR value.,Cc1cccc2c1N(Cc1ccc(Cl)cc1)C(=O)C21OCCCO1,92.02000000000004
+22227,Optimize the molecule CCOC(=O)[C@@](O)(CC)[C@H]1CCCC(C)(C)CC1 to have a higher MR value.,CCOC(=O)[C@@](O)(CC)[C@H]1CCCC(C)(C)CC1,72.22980000000005
+227011,Please optimize the molecule COc1cc(C(=O)N(C[C@H]2C=c3cccc(C)c3=[NH+]C2=O)c2cccc(C)c2)cc(OC)c1OC to have a higher MR value.,COc1cc(C(=O)N(C[C@H]2C=c3cccc(C)c3=[NH+]C2=O)c2cccc(C)c2)cc(OC)c1OC,132.41019999999995
+142534,Please optimize the molecule O=c1ccc(C(F)(F)F)cn1Cc1ccc([N+](=O)[O-])cc1 to have a lower MR value.,O=c1ccc(C(F)(F)F)cn1Cc1ccc([N+](=O)[O-])cc1,67.90240000000001
+189465,Modify the molecule NC(=O)[C@H]1CCCN(C(=O)CNc2cccc([N+](=O)[O-])c2)C1 to increase its MR value.,NC(=O)[C@H]1CCCN(C(=O)CNc2cccc([N+](=O)[O-])c2)C1,80.08450000000002
+197621,Please optimize the molecule CCc1nn(C)c(OC)c1CNC(=O)N1CCC[C@@H]2CCC[C@@H]21 to have a lower MR value.,CCc1nn(C)c(OC)c1CNC(=O)N1CCC[C@@H]2CCC[C@@H]21,88.44270000000006
+224006,Modify the molecule Cc1ccc(C(F)(F)F)cc1NCc1csnn1 to increase its MR value.,Cc1ccc(C(F)(F)F)cc1NCc1csnn1,63.41670000000002
+120330,Please modify the molecule CC1(C)CCC(C[NH+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)CC1 to increase its MR value.,CC1(C)CCC(C[NH+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)CC1,84.78520000000006
+135061,Please optimize the molecule CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2c(F)cccc2Cl)NC(=O)N1 to have a higher MR value.,CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2c(F)cccc2Cl)NC(=O)N1,101.29010000000002
+37309,Please modify the molecule C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(SCC(F)(F)F)cc1 to decrease its MR value.,C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(SCC(F)(F)F)cc1,80.81370000000004
+218678,Modify the molecule CC[C@H](O)CN1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 to increase its MR value.,CC[C@H](O)CN1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1,83.70580000000007
+109077,Modify the molecule CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(N2CCOCC2)cc1 to decrease its MR value.,CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(N2CCOCC2)cc1,99.38320000000003
+37922,Please optimize the molecule Cc1nc(CN(C)c2nc(Br)cn3ccnc23)cs1 to have a higher MR value.,Cc1nc(CN(C)c2nc(Br)cn3ccnc23)cs1,79.64500000000002
+184899,Please modify the molecule CCOc1c(Cl)cc(CN[C@H]2CC[C@@H]([NH+](C)C)C2)cc1OC to decrease its MR value.,CCOc1c(Cl)cc(CN[C@H]2CC[C@@H]([NH+](C)C)C2)cc1OC,90.25040000000006
+199607,Please optimize the molecule O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1cccnc1Cl to have a lower MR value.,O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1cccnc1Cl,86.19220000000004
+38016,Please optimize the molecule C[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccnc1Br to have a higher MR value.,C[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccnc1Br,74.42120000000003
+43818,Modify the molecule CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc[nH]1)c1ccccc1 to decrease its MR value.,CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc[nH]1)c1ccccc1,91.19210000000004
+197998,Please optimize the molecule Cc1ccoc1CN1CCN[C@H](C(=O)N(C)C)C1 to have a higher MR value.,Cc1ccoc1CN1CCN[C@H](C(=O)N(C)C)C1,69.20670000000004
+124723,Optimize the molecule CC[C@@H](CCO)C[NH2+][C@@H]1CCN(C2CC2)C1 to have a lower MR value.,CC[C@@H](CCO)C[NH2+][C@@H]1CCN(C2CC2)C1,65.27620000000005
+172076,Optimize the molecule COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)/C=C/c1ccc(C)o1)CC3 to have a lower MR value.,COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)/C=C/c1ccc(C)o1)CC3,101.23820000000002
+114984,Please optimize the molecule COCCNC(=O)NCc1cc[nH+]c(N2CC[NH+](C)CC2)c1 to have a lower MR value.,COCCNC(=O)NCc1cc[nH+]c(N2CC[NH+](C)CC2)c1,83.94580000000005
+48611,Modify the molecule CCC[C@@H]1CCC(=O)[C@H](C(C)C)C1 to have a lower MR value.,CCC[C@@H]1CCC(=O)[C@H](C(C)C)C1,55.584000000000046
+228663,Optimize the molecule Cn1nc(N2CCN(c3ncccn3)CC2)c(=O)n(C)c1=O to have a higher MR value.,Cn1nc(N2CCN(c3ncccn3)CC2)c(=O)n(C)c1=O,81.17700000000002
+99869,Optimize the molecule COc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 to have a lower MR value.,COc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12,123.09600000000006
+5249,Optimize the molecule Cc1ccc2c(COC(=O)c3cccc(O)c3)cc(=O)oc2c1C to have a higher MR value.,Cc1ccc2c(COC(=O)c3cccc(O)c3)cc(=O)oc2c1C,89.18430000000002
+84329,Optimize the molecule O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1CN1CCOCC1 to have a higher MR value.,O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1CN1CCOCC1,103.80070000000002
+166608,Modify the molecule O=C(NC1CC1)c1ccc(NC[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 to have a higher MR value.,O=C(NC1CC1)c1ccc(NC[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])c1,90.03910000000003
+178965,Please optimize the molecule C[C@H](NC(=O)N(CCC(F)(F)F)C1CCCC1)c1nc2ccccc2[nH]1 to have a lower MR value.,C[C@H](NC(=O)N(CCC(F)(F)F)C1CCCC1)c1nc2ccccc2[nH]1,92.67440000000005
+249154,Modify the molecule CCOC(=O)[C@H](C)Nc1ccc2oc(=O)[nH]c2c1 to decrease its MR value.,CCOC(=O)[C@H](C)Nc1ccc2oc(=O)[nH]c2c1,66.55240000000002
+239285,Please optimize the molecule NC(=O)N1CCC(C(=O)NC2(c3ccc(Br)cc3)CCC2)CC1 to have a lower MR value.,NC(=O)N1CCC(C(=O)NC2(c3ccc(Br)cc3)CCC2)CC1,91.69410000000003
+99462,Modify the molecule CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cccc2ccccc12 to have a lower MR value.,CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cccc2ccccc12,103.18120000000008
+106912,Please modify the molecule C[C@@H]1CCC[C@]([C@H](N)c2cccs2)([NH+](C)C)C1 to decrease its MR value.,C[C@@H]1CCC[C@]([C@H](N)c2cccs2)([NH+](C)C)C1,74.42110000000004
+67624,Optimize the molecule CC1CC[NH+](Cc2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1 to have a lower MR value.,CC1CC[NH+](Cc2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1,108.19550000000005
+94309,Please modify the molecule O=C([O-])c1cccc2c1ccn2Cc1ccncc1 to increase its MR value.,O=C([O-])c1cccc2c1ccn2Cc1ccncc1,69.60750000000002
+172723,Modify the molecule CCCNC(=O)c1ccccc1NC(=O)CC(=O)OC to have a higher MR value.,CCCNC(=O)c1ccccc1NC(=O)CC(=O)OC,74.32890000000003
+91320,Please modify the molecule CC[C@H](C)[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)C(N)=O to increase its MR value.,CC[C@H](C)[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)C(N)=O,75.33660000000002
+28543,Modify the molecule COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1Br to increase its MR value.,COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1Br,91.94350000000003
+215938,Modify the molecule C[C@H]([NH2+][C@H]1CS[C@H](C)C1)C1CCCCC1 to decrease its MR value.,C[C@H]([NH2+][C@H]1CS[C@H](C)C1)C1CCCCC1,68.28740000000005
+94375,Modify the molecule Cn1c(S[C@H]2CCC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)n[nH]c1=O to have a lower MR value.,Cn1c(S[C@H]2CCC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)n[nH]c1=O,74.62710000000003
+213526,Please modify the molecule CCN(Cc1ccccn1)C(=O)CCC(=O)c1ccccc1 to decrease its MR value.,CCN(Cc1ccccn1)C(=O)CCC(=O)c1ccccc1,85.33450000000005
+84951,Modify the molecule CC/C(=C/C(=O)Nc1ccc(CS(C)(=O)=O)cc1)c1ccccc1 to have a lower MR value.,CC/C(=C/C(=O)Nc1ccc(CS(C)(=O)=O)cc1)c1ccccc1,98.32950000000002
+99578,Modify the molecule Cc1ccc2c(c1Br)/C(=N/NC(=O)C1[C@H]3CCCC[C@@H]13)C(=O)N2 to decrease its MR value.,Cc1ccc2c(c1Br)/C(=N/NC(=O)C1[C@H]3CCCC[C@@H]13)C(=O)N2,91.12640000000003
+123761,Please optimize the molecule O=C(NCC1([O-])CCC1)C(=O)Nc1cccc(F)c1 to have a lower MR value.,O=C(NCC1([O-])CCC1)C(=O)Nc1cccc(F)c1,64.62140000000002
+221548,Please modify the molecule COc1ccccc1[C@@H](NC(=O)N1C[C@H]2CC[C@@H]1C2)c1ccccn1 to decrease its MR value.,COc1ccccc1[C@@H](NC(=O)N1C[C@H]2CC[C@@H]1C2)c1ccccn1,95.44070000000005
+129209,Modify the molecule C/[NH+]=C(/NCc1cccc(N(C)C)c1)N[C@H]1CC[C@H](SC)C1 to increase its MR value.,C/[NH+]=C(/NCc1cccc(N(C)C)c1)N[C@H]1CC[C@H](SC)C1,97.58010000000007
+101223,Modify the molecule CCCNC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C to have a higher MR value.,CCCNC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C,94.58970000000004
+37888,Optimize the molecule Cc1nn(-c2ccc(F)cc2F)c2c1[C@@H](C(=O)c1ccc3c(c1)OCO3)CC(=O)N2 to have a higher MR value.,Cc1nn(-c2ccc(F)cc2F)c2c1[C@@H](C(=O)c1ccc3c(c1)OCO3)CC(=O)N2,101.10020000000004
+243745,Modify the molecule O=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-n2cnnn2)cc1 to decrease its MR value.,O=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-n2cnnn2)cc1,92.07490000000003
+55554,Modify the molecule CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2)c1 to decrease its MR value.,CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2)c1,94.12190000000002
+123799,Optimize the molecule Cc1cccc(-n2nnnc2SCc2c(C)nn(C)c2Cl)c1 to have a higher MR value.,Cc1cccc(-n2nnnc2SCc2c(C)nn(C)c2Cl)c1,86.40700000000001
+170777,Modify the molecule Cc1nc(N[C@H]2CCN(c3cnn(C)c3)C2=O)ccc1I to have a higher MR value.,Cc1nc(N[C@H]2CCN(c3cnn(C)c3)C2=O)ccc1I,89.27970000000002
+47294,Please modify the molecule Cc1ccccc1NC(=O)c1c(F)c(F)cc(F)c1F to increase its MR value.,Cc1ccccc1NC(=O)c1c(F)c(F)cc(F)c1F,65.4062
+139613,Please optimize the molecule COc1ccc(COCCNC(=O)N2C[C@@H]3CCC[C@H](C2)C3O)cc1 to have a lower MR value.,COc1ccc(COCCNC(=O)N2C[C@@H]3CCC[C@H](C2)C3O)cc1,94.45950000000005
+169612,Please modify the molecule CN1C(=O)C[C@H](NC(=O)NCC(C)(C)C(N)=O)[C@H]1c1ccc(Cl)cc1 to increase its MR value.,CN1C(=O)C[C@H](NC(=O)NCC(C)(C)C(N)=O)[C@H]1c1ccc(Cl)cc1,94.87780000000002
+96681,Modify the molecule C[C@@H](c1ccccn1)N(C)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 to have a higher MR value.,C[C@@H](c1ccccn1)N(C)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1,89.73400000000004
+40380,Please modify the molecule C[C@H](NC(=O)CSC(C)(C)C)c1ccccc1Br to decrease its MR value.,C[C@H](NC(=O)CSC(C)(C)C)c1ccccc1Br,82.91070000000005
+203190,Optimize the molecule Cc1cc(C)cc(C(=O)Nc2nnc(C)s2)c1 to have a lower MR value.,Cc1cc(C)cc(C(=O)Nc2nnc(C)s2)c1,68.51520000000002
+126722,Modify the molecule CN(C[C@@H](O)C1CC1)C(=O)CNC(=O)c1ccccc1Cl to have a lower MR value.,CN(C[C@@H](O)C1CC1)C(=O)CNC(=O)c1ccccc1Cl,80.15300000000003
+231577,Modify the molecule CC[C@@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@H]1N1CCOCC1 to increase its MR value.,CC[C@@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@H]1N1CCOCC1,87.64350000000005
+174406,Please optimize the molecule Nc1ccc2c(c1)C[NH+](CC1CCCCC1)C2 to have a lower MR value.,Nc1ccc2c(c1)C[NH+](CC1CCCCC1)C2,70.66710000000003
+243690,Modify the molecule O=C(NC1CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 to have a higher MR value.,O=C(NC1CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1,76.35770000000004
+32351,Please optimize the molecule COc1ccc([C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C2CCOCC2)cc1 to have a higher MR value.,COc1ccc([C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C2CCOCC2)cc1,100.09040000000005
+49775,Please modify the molecule CC[NH+](Cc1cc2cc(OC)ccc2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 to decrease its MR value.,CC[NH+](Cc1cc2cc(OC)ccc2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1,93.38720000000004
+136736,Modify the molecule COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc2ccccc12 to have a higher MR value.,COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc2ccccc12,102.05420000000002
+208787,Modify the molecule Cc1nnc2sc(SCC(=O)NCCc3ccccc3)nn2c1=O to increase its MR value.,Cc1nnc2sc(SCC(=O)NCCc3ccccc3)nn2c1=O,93.54570000000004
+114538,Optimize the molecule O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 to have a lower MR value.,O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1,106.99550000000005
+222016,Modify the molecule Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1 to decrease its MR value.,Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1,129.057
+240511,Please modify the molecule O=C(C=C1CCSCC1)Nc1ccccc1Br to increase its MR value.,O=C(C=C1CCSCC1)Nc1ccccc1Br,77.41370000000003
+80675,Please optimize the molecule C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 to have a higher MR value.,C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1,82.92070000000005
+229806,Modify the molecule CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1Oc1ccccc1 to decrease its MR value.,CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1Oc1ccccc1,82.76340000000005
+237725,Please modify the molecule Clc1cc(Cl)cc(Nc2cccc3nccnc23)c1 to increase its MR value.,Clc1cc(Cl)cc(Nc2cccc3nccnc23)c1,79.28270000000002
+217564,Please modify the molecule CCC(CC)[C@@]1(O)CCCC[C@@H]1C to increase its MR value.,CCC(CC)[C@@]1(O)CCCC[C@@H]1C,56.653800000000054
+124432,Please modify the molecule COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)CCCC(=O)[O-])C2)cc1 to increase its MR value.,COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)CCCC(=O)[O-])C2)cc1,108.97600000000004
+191698,Please modify the molecule CCN(CCO)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 to increase its MR value.,CCN(CCO)C(=O)Nc1cccc(OCc2cccc(F)c2)c1,90.52550000000004
+176945,Please modify the molecule Cc1ccccc1C[NH+](C)CC[C@H]1CCC[C@@H]1[NH3+] to increase its MR value.,Cc1ccccc1C[NH+](C)CC[C@H]1CCC[C@@H]1[NH3+],75.27080000000005
+7942,Please optimize the molecule COc1ccc(OC)c(C(=O)OCC(=O)c2cc(C)c(C)cc2C)c1 to have a lower MR value.,COc1ccc(OC)c(C(=O)OCC(=O)c2cc(C)c(C)cc2C)c1,94.81200000000004
+15426,Modify the molecule C[C@H]1CCCN(C(=O)Cn2c(=O)cnc3ccccc32)C1 to increase its MR value.,C[C@H]1CCCN(C(=O)Cn2c(=O)cnc3ccccc32)C1,80.98100000000005
+232532,Optimize the molecule O=C(c1nc(-c2cnccn2)no1)N1CCN(c2ncccn2)CC1 to have a higher MR value.,O=C(c1nc(-c2cnccn2)no1)N1CCN(c2ncccn2)CC1,85.47250000000004
+14434,Please optimize the molecule Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2Cc2ccc3ncccc3c2)[nH+]1 to have a lower MR value.,Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2Cc2ccc3ncccc3c2)[nH+]1,117.17740000000003
+75417,Modify the molecule Cc1c(C(=O)NNC(=O)NC[C@H]2CCCO2)oc2ccc(Cl)cc12 to increase its MR value.,Cc1c(C(=O)NNC(=O)NC[C@H]2CCCO2)oc2ccc(Cl)cc12,88.93560000000002
+58744,Please optimize the molecule CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2CC)CC1 to have a higher MR value.,CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2CC)CC1,128.60460000000003
+177738,Modify the molecule Cc1ccc(CC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1O to have a lower MR value.,Cc1ccc(CC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1O,102.77850000000002
+160785,Please optimize the molecule CC(=O)N1CCC(CCC(=O)N[C@H](C)Cc2ccc(C)s2)CC1 to have a lower MR value.,CC(=O)N1CCC(CCC(=O)N[C@H](C)Cc2ccc(C)s2)CC1,94.57670000000007
+43824,Please optimize the molecule O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1 to have a higher MR value.,O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1,99.45480000000003
+74903,Modify the molecule CCn1cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c(C(C)C)n1 to decrease its MR value.,CCn1cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c(C(C)C)n1,77.68130000000004
+126508,Please optimize the molecule CCn1c(SCC(=O)N/N=C(\C)c2ccc(O)cc2)nc2ccccc21 to have a higher MR value.,CCn1c(SCC(=O)N/N=C(\C)c2ccc(O)cc2)nc2ccccc21,104.59150000000002
+108025,Please modify the molecule Sc1sccc1/C=N/c1ccc2ccccc2c1 to decrease its MR value.,Sc1sccc1/C=N/c1ccc2ccccc2c1,82.77300000000002
+177681,Modify the molecule C[NH2+]C(C)(C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F to decrease its MR value.,C[NH2+]C(C)(C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F,84.44410000000003
+126958,Modify the molecule COc1ccc(CN(C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 to have a higher MR value.,COc1ccc(CN(C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1,80.05150000000003
+95943,Please optimize the molecule CC1(C)C[NH2+]CCN1C(=O)N1CCOCC1 to have a higher MR value.,CC1(C)C[NH2+]CCN1C(=O)N1CCOCC1,60.23240000000004
+86529,Optimize the molecule CCc1cccc(N[C@H]2CCO[C@]3(CCSC3)C2)c1 to have a lower MR value.,CCc1cccc(N[C@H]2CCO[C@]3(CCSC3)C2)c1,83.08970000000005
+241122,Please optimize the molecule COc1ccc(F)c(NC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 to have a lower MR value.,COc1ccc(F)c(NC(=O)N2CCCC[C@@H]2C(=O)[O-])c1,71.32270000000003
+238919,Please optimize the molecule Cc1csc(-n2c(C)nc3ccccc32)n1 to have a higher MR value.,Cc1csc(-n2c(C)nc3ccccc32)n1,66.21600000000002
+210103,Please modify the molecule N#Cc1ccc(Cl)c(NC(=O)NC[C@H](O)c2ccc(F)cc2)c1 to increase its MR value.,N#Cc1ccc(Cl)c(NC(=O)NC[C@H](O)c2ccc(F)cc2)c1,84.54820000000001
+78353,Please optimize the molecule CCC(=O)Nc1ccc(NC(=O)CBr)cc1 to have a higher MR value.,CCC(=O)Nc1ccc(NC(=O)CBr)cc1,67.78640000000001
+210871,Optimize the molecule C[C@H]1CN(Cc2csc(NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)n2)C[C@@H](C)O1 to have a lower MR value.,C[C@H]1CN(Cc2csc(NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)n2)C[C@@H](C)O1,120.37340000000003
+110033,Optimize the molecule C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1COc2ccccc2C1 to have a higher MR value.,C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1COc2ccccc2C1,78.69370000000005
+39527,Optimize the molecule COc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccncc4)n3C)[C@@H](c3ccco3)C2)cc1 to have a higher MR value.,COc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccncc4)n3C)[C@@H](c3ccco3)C2)cc1,127.401
+194162,Optimize the molecule Cc1ccc(OCCCOc2ccc(C[NH3+])cc2)cc1 to have a lower MR value.,Cc1ccc(OCCCOc2ccc(C[NH3+])cc2)cc1,79.82010000000004
+149932,Optimize the molecule CCCC[C@H]([NH2+]C(C)C)[C@H]1CCO[C@]2(CCOC2)C1 to have a lower MR value.,CCCC[C@H]([NH2+]C(C)C)[C@H]1CCO[C@]2(CCOC2)C1,77.21740000000005
+114403,Modify the molecule COc1cccc(C(=O)[C@H](C#N)c2nc(C)cs2)c1OC(F)F to decrease its MR value.,COc1cccc(C(=O)[C@H](C#N)c2nc(C)cs2)c1OC(F)F,79.16150000000003
+217552,Optimize the molecule CC(=O)CC(=O)NC1C(C)(C)C1(C)C to have a higher MR value.,CC(=O)CC(=O)NC1C(C)(C)C1(C)C,54.79070000000004
+47597,Please optimize the molecule O=C(NC[C@@H](O)c1ccc(F)cc1)[C@@H]1CCCO1 to have a lower MR value.,O=C(NC[C@@H](O)c1ccc(F)cc1)[C@@H]1CCCO1,63.34350000000004
+168840,Modify the molecule Cc1cn2c(=O)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c(C)nc2s1 to have a lower MR value.,Cc1cn2c(=O)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c(C)nc2s1,91.44080000000005
+50295,Please modify the molecule O=C(NCCCc1ccc(F)cc1)c1[nH]nc2c1CCCCC2 to decrease its MR value.,O=C(NCCCc1ccc(F)cc1)c1[nH]nc2c1CCCCC2,86.90090000000005
+68256,Please optimize the molecule CC(C)(C)n1nccc1NC(=O)C(=O)NCC1(O)CCCCC1 to have a lower MR value.,CC(C)(C)n1nccc1NC(=O)C(=O)NCC1(O)CCCCC1,86.89720000000004
+168733,Please modify the molecule [NH3+]Cc1ccc(OCCc2ccccn2)cc1 to decrease its MR value.,[NH3+]Cc1ccc(OCCc2ccccn2)cc1,66.47010000000003
+95894,Please optimize the molecule Cc1oc(-c2ccccc2)nc1C(=O)NC12CC3CC(CC(C3)C1)C2 to have a lower MR value.,Cc1oc(-c2ccccc2)nc1C(=O)NC12CC3CC(CC(C3)C1)C2,95.04520000000005
+234035,Please optimize the molecule CCOC(=O)c1ccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 to have a higher MR value.,CCOC(=O)c1ccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1,118.2609
+234865,Modify the molecule SCCCCCC[NH+]1CCC[C@H]2CCCC[C@H]21 to have a lower MR value.,SCCCCCC[NH+]1CCC[C@H]2CCCC[C@H]21,77.99770000000007
+248467,Please modify the molecule O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1ccnc2cccnc12 to increase its MR value.,O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1ccnc2cccnc12,120.37270000000002
+126211,Modify the molecule Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(=O)NC(C)(C)C to increase its MR value.,Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(=O)NC(C)(C)C,84.51770000000003
+99291,Please modify the molecule CCC(CC)[C@@H](C#N)S(C)(=O)=O to increase its MR value.,CCC(CC)[C@@H](C#N)S(C)(=O)=O,48.316800000000036
+125512,Optimize the molecule CCC1(CC)CC[NH2+]C[C@@H]1c1cccc(Cl)c1 to have a higher MR value.,CCC1(CC)CC[NH2+]C[C@@H]1c1cccc(Cl)c1,73.48440000000005
+63503,Modify the molecule CCN(Cc1cccc(Cl)c1)C(=O)NCC(C)(C)[NH+](C)C to have a lower MR value.,CCN(Cc1cccc(Cl)c1)C(=O)NCC(C)(C)[NH+](C)C,87.82440000000005
+75821,Please optimize the molecule Cc1cc(C)c(NC(=O)c2ccc(C)cc2NN)c(C)c1 to have a lower MR value.,Cc1cc(C)c(NC(=O)c2ccc(C)cc2NN)c(C)c1,87.59530000000002
+165084,Please modify the molecule Cc1nc(C)c(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)o1 to decrease its MR value.,Cc1nc(C)c(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)o1,85.07820000000005
+144036,Modify the molecule COc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc12 to have a lower MR value.,COc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc12,121.37680000000006
+162307,Please optimize the molecule CC[C@@]1(C2CC2)C[NH+]=C(N)N1CCOC to have a higher MR value.,CC[C@@]1(C2CC2)C[NH+]=C(N)N1CCOC,59.352100000000036
+233325,Please optimize the molecule CC[C@@H](NC(=O)C[C@H]1C=CCC1)C12CC3CC(CC(C3)C1)C2 to have a lower MR value.,CC[C@@H](NC(=O)C[C@H]1C=CCC1)C12CC3CC(CC(C3)C1)C2,89.30770000000005
+210795,Please optimize the molecule COc1cc([C@@H]2CC(=O)NC3=NC(SCc4ccc(Cl)cc4)=NC(=O)[C@@H]32)ccc1O to have a higher MR value.,COc1cc([C@@H]2CC(=O)NC3=NC(SCc4ccc(Cl)cc4)=NC(=O)[C@@H]32)ccc1O,116.2735
+71987,Modify the molecule CCN(C[C@H]1CCCO1)[C@H](C[NH3+])CC(=O)N1CCCCC1 to have a lower MR value.,CCN(C[C@H]1CCCO1)[C@H](C[NH3+])CC(=O)N1CCCCC1,82.81210000000006
+129338,Modify the molecule CCN(CC)C(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 to decrease its MR value.,CCN(CC)C(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1,120.80710000000005
+226909,Please optimize the molecule CN(C)c1ccc(N)c(OC[C@H]2Cc3ccccc3S2)c1 to have a higher MR value.,CN(C)c1ccc(N)c(OC[C@H]2Cc3ccccc3S2)c1,90.46740000000004
+155666,Modify the molecule Cc1cc(C)c(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 to increase its MR value.,Cc1cc(C)c(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1,94.98110000000003
+192138,Modify the molecule COc1cccc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1O to increase its MR value.,COc1cccc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1O,97.10870000000004
+141859,Optimize the molecule COC(=O)C[C@H](C)SCc1ccccc1[N+](=O)[O-] to have a higher MR value.,COC(=O)C[C@H](C)SCc1ccccc1[N+](=O)[O-],70.48640000000003
+13834,Modify the molecule COc1ccc(-[n+]2noc([O-])c2C(=O)NCc2ccccc2Cl)cc1 to increase its MR value.,COc1ccc(-[n+]2noc([O-])c2C(=O)NCc2ccccc2Cl)cc1,86.65520000000002
+45844,Please optimize the molecule O=C(CSc1nnnn1C1CCCC1)N(CC1CC1)c1ccccc1 to have a higher MR value.,O=C(CSc1nnnn1C1CCCC1)N(CC1CC1)c1ccccc1,97.56500000000004
+227643,Optimize the molecule CC(=O)Nc1ccc(S(=O)(=O)N/N=C(\C)c2csc3ccccc23)cc1 to have a lower MR value.,CC(=O)Nc1ccc(S(=O)(=O)N/N=C(\C)c2csc3ccccc23)cc1,105.1032
+135373,Optimize the molecule Cc1cc(F)ccc1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O to have a higher MR value.,Cc1cc(F)ccc1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O,78.78940000000001
+186805,Optimize the molecule CC(C)C(=O)NCCC[NH2+][C@@H]1CCCOc2c1ccc(Cl)c2Cl to have a higher MR value.,CC(C)C(=O)NCCC[NH2+][C@@H]1CCCOc2c1ccc(Cl)c2Cl,93.18910000000005
+130246,Please optimize the molecule C[C@H](Cl)CCc1c[nH+]cn1C1CC1 to have a higher MR value.,C[C@H](Cl)CCc1c[nH+]cn1C1CC1,52.894700000000036
+69670,Please modify the molecule Cc1ccc(-c2cc(C(=O)N(C)Cc3ccnc4ccccc34)[nH]n2)s1 to increase its MR value.,Cc1ccc(-c2cc(C(=O)N(C)Cc3ccnc4ccccc34)[nH]n2)s1,104.17820000000003
+133262,Modify the molecule Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c([N+](=O)[O-])c1 to have a lower MR value.,Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c([N+](=O)[O-])c1,103.58410000000006
+234824,Modify the molecule COc1ccccc1-c1cnc(CCl)s1 to decrease its MR value.,COc1ccccc1-c1cnc(CCl)s1,63.65900000000003
+244877,Modify the molecule COCC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 to increase its MR value.,COCC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1,85.86620000000005
+95209,Modify the molecule CC[C@@H]1CCCCN1C(=O)NCCc1cccc(C(=O)OC)c1 to decrease its MR value.,CC[C@@H]1CCCCN1C(=O)NCCc1cccc(C(=O)OC)c1,89.52020000000005
+161312,Modify the molecule CC(C)Oc1cccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)c1 to increase its MR value.,CC(C)Oc1cccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)c1,93.12150000000004
+42134,Modify the molecule O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(Cl)ccc1[N+](=O)[O-] to have a higher MR value.,O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(Cl)ccc1[N+](=O)[O-],92.73910000000002
+44338,Optimize the molecule CC[C@H]1CN(C(=O)c2ccc(-n3nc(C)nc3C)cc2)c2ccccc2O1 to have a lower MR value.,CC[C@H]1CN(C(=O)c2ccc(-n3nc(C)nc3C)cc2)c2ccccc2O1,103.65850000000003
+85204,Please modify the molecule Cc1ccc(C)c(CC(=O)OCc2nc(C)no2)c1 to increase its MR value.,Cc1ccc(C)c(CC(=O)OCc2nc(C)no2)c1,68.45100000000002
+100108,Modify the molecule C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc2c(c1)CCCC2 to have a lower MR value.,C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc2c(c1)CCCC2,135.34269999999995
+138918,Please optimize the molecule N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)c1 to have a higher MR value.,N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)c1,88.26450000000001
+193446,Modify the molecule Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1cccc(OCC#N)c1)CCCO2 to decrease its MR value.,Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1cccc(OCC#N)c1)CCCO2,96.83840000000005
+86616,Modify the molecule COc1cc2c(cc1OC)C[NH+]([C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CC2 to decrease its MR value.,COc1cc2c(cc1OC)C[NH+]([C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CC2,125.35140000000004
+189618,Please optimize the molecule OCCC[NH2+][C@H]1CCO[C@]2(CCOC2)C1 to have a higher MR value.,OCCC[NH2+][C@H]1CCO[C@]2(CCOC2)C1,55.636200000000045
+70143,Modify the molecule CC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 to have a lower MR value.,CC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1,77.58770000000004
+32122,Modify the molecule CCc1ncc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)s1 to have a lower MR value.,CCc1ncc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)s1,85.85570000000004
+157326,Optimize the molecule Cn1cc[nH+]c1C[C@H]1CCC[NH+](CC2CCC2)C1 to have a higher MR value.,Cn1cc[nH+]c1C[C@H]1CCC[NH+](CC2CCC2)C1,71.30140000000004
+154293,Modify the molecule COC(=O)c1c(CC(C)C)csc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 to have a higher MR value.,COC(=O)c1c(CC(C)C)csc1NC(=O)Cc1nn(C)c(=O)c2ccccc12,113.51820000000004
+186897,Modify the molecule C[C@@H]1CC(C(=O)NCc2nncn2C)C[C@@H](C)O1 to increase its MR value.,C[C@@H]1CC(C(=O)NCc2nncn2C)C[C@@H](C)O1,65.58270000000003
+177001,Optimize the molecule CCOC(=O)N1CCN(C(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)CC1 to have a lower MR value.,CCOC(=O)N1CCN(C(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)CC1,101.50620000000004
+214621,Optimize the molecule CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 to have a higher MR value.,CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1,104.25170000000006
+200204,Please optimize the molecule C/C=C(/C)C(=O)NCC[C@@H]1CCC[C@@H](C)C1 to have a higher MR value.,C/C=C(/C)C(=O)NCC[C@@H]1CCC[C@@H](C)C1,68.17970000000005
+17477,Optimize the molecule C[NH+](Cc1cccc(-c2ccccc2F)c1)[C@H]1CCC[C@@H]1S(C)(=O)=O to have a higher MR value.,C[NH+](Cc1cccc(-c2ccccc2F)c1)[C@H]1CCC[C@@H]1S(C)(=O)=O,98.69750000000005
+136965,Please optimize the molecule CCn1/c(=N/S(=O)(=O)c2ccc(OC)cc2)sc2cc3c(cc21)OCO3 to have a lower MR value.,CCn1/c(=N/S(=O)(=O)c2ccc(OC)cc2)sc2cc3c(cc21)OCO3,97.35480000000005
+102956,Please optimize the molecule O=C([O-])CNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 to have a higher MR value.,O=C([O-])CNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1,62.55920000000001
+206295,Modify the molecule Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C to have a higher MR value.,Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C,86.06720000000004
+44543,Modify the molecule COc1ccccc1S(=O)(=O)N1CCCC[C@@H]1C to increase its MR value.,COc1ccccc1S(=O)(=O)N1CCCC[C@@H]1C,70.19880000000005
+239379,Modify the molecule COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC[C@H](C)C1 to have a lower MR value.,COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC[C@H](C)C1,104.63840000000006
+230946,Please optimize the molecule C[C@@H]1CC[C@H](C(C)(C)Cc2nc3ccccc3s2)C(=O)C1 to have a lower MR value.,C[C@@H]1CC[C@H](C(C)(C)Cc2nc3ccccc3s2)C(=O)C1,88.61700000000006
+77261,Modify the molecule Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 to decrease its MR value.,Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC2CCCC2)c(F)c1,105.04540000000006
+212375,Modify the molecule CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)C(C)(C)C to increase its MR value.,CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)C(C)(C)C,102.61950000000006
+183364,Please optimize the molecule CCN1CCO[C@@H](C(=O)Nc2ccccc2Cl)C1 to have a higher MR value.,CCN1CCO[C@@H](C(=O)Nc2ccccc2Cl)C1,71.93570000000004
+133138,Please modify the molecule Cc1ccc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 to increase its MR value.,Cc1ccc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1,107.97290000000001
+161601,Optimize the molecule Cc1ccc(NC(=O)N/C=C\c2ccco2)c(C)c1 to have a lower MR value.,Cc1ccc(NC(=O)N/C=C\c2ccco2)c(C)c1,75.81240000000003
+48253,Please optimize the molecule CCn1cc(C(=O)Nc2ccc(O)cc2C)c(=O)c2ccc(C)nc21 to have a lower MR value.,CCn1cc(C(=O)Nc2ccc(O)cc2C)c(=O)c2ccc(C)nc21,97.21100000000003
+43188,Optimize the molecule CCCC[C@@H](C(=O)[O-])[C@](C)(O)c1cccc(Br)c1 to have a lower MR value.,CCCC[C@@H](C(=O)[O-])[C@](C)(O)c1cccc(Br)c1,71.73480000000004
+118572,Modify the molecule O=Cc1c[nH]c2c(Br)cccc12 to have a higher MR value.,O=Cc1c[nH]c2c(Br)cccc12,51.38620000000002
+199750,Optimize the molecule CC#CCn1c(-c2ccc(OC)c(OC)c2)noc1=O to have a higher MR value.,CC#CCn1c(-c2ccc(OC)c(OC)c2)noc1=O,72.75300000000003
+95563,Please optimize the molecule CC[NH+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ncc(C)o1 to have a lower MR value.,CC[NH+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ncc(C)o1,87.37640000000005
+76730,Optimize the molecule CCOC(=O)[C@@H](N)c1ncccc1C to have a lower MR value.,CCOC(=O)[C@@H](N)c1ncccc1C,52.535400000000024
+61134,Modify the molecule CC1=NN(c2ccccc2)C(=O)[C@]1(C)NS(=O)(=O)c1ccc(F)c2ccccc12 to decrease its MR value.,CC1=NN(c2ccccc2)C(=O)[C@]1(C)NS(=O)(=O)c1ccc(F)c2ccccc12,109.66950000000004
+204563,Please modify the molecule CCC[NH2+][C@@H](C)c1cccc(O[C@H](C)CC)c1 to decrease its MR value.,CCC[NH2+][C@@H](C)c1cccc(O[C@H](C)CC)c1,72.32140000000005
+216322,Please optimize the molecule Cc1cc([C@H](N)C(F)(F)F)ccc1O to have a higher MR value.,Cc1cc([C@H](N)C(F)(F)F)ccc1O,45.82720000000002
+92558,Please optimize the molecule CCC1(CC)[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)[C@H](C)[C@@H]1OC to have a higher MR value.,CCC1(CC)[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)[C@H](C)[C@@H]1OC,92.22560000000006
+240112,Modify the molecule C[C@]12CCC[C@@H]1[C@H]1C(=O)C[C@H]3C[C@H](F)CC[C@@]3(C)[C@@H]1CC2 to increase its MR value.,C[C@]12CCC[C@@H]1[C@H]1C(=O)C[C@H]3C[C@H](F)CC[C@@]3(C)[C@@H]1CC2,81.63000000000005
+152955,Modify the molecule C[NH+](C)[C@@H]1CC[C@H](NC(=O)Nc2cnn(C(C)(C)C)c2)C1 to have a higher MR value.,C[NH+](C)[C@@H]1CC[C@H](NC(=O)Nc2cnn(C(C)(C)C)c2)C1,83.61510000000004
+208415,Please optimize the molecule Cc1cccc(Cc2cnc(NC(=O)C[NH+]3CCC[C@H]3CO)s2)c1 to have a lower MR value.,Cc1cccc(Cc2cnc(NC(=O)C[NH+]3CCC[C@H]3CO)s2)c1,95.53320000000004
+74336,Modify the molecule Cc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1 to have a higher MR value.,Cc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1,102.83400000000005
+229801,Optimize the molecule Cc1ccc(C)c(Oc2cc(-n3ccnc3)ncn2)c1 to have a lower MR value.,Cc1ccc(C)c(Oc2cc(-n3ccnc3)ncn2)c1,75.14400000000002
+219698,Optimize the molecule CN(Cc1csc(Br)c1)C[C@H]1CSc2ccccc21 to have a higher MR value.,CN(Cc1csc(Br)c1)C[C@H]1CSc2ccccc21,88.26000000000003
+242643,Please optimize the molecule COc1ccc(C)cc1NCc1nnc2n1CCCCC2 to have a higher MR value.,COc1ccc(C)cc1NCc1nnc2n1CCCCC2,82.63470000000004
+170551,Please optimize the molecule COCCN(CC(=O)[O-])C(=O)c1cccc(N)c1 to have a higher MR value.,COCCN(CC(=O)[O-])C(=O)c1cccc(N)c1,63.64090000000003
+178367,Optimize the molecule COc1cc([C@H]2Nc3c(ccc(Cl)c3C)[C@H]3C=CC[C@H]32)ccc1O to have a higher MR value.,COc1cc([C@H]2Nc3c(ccc(Cl)c3C)[C@H]3C=CC[C@H]32)ccc1O,97.19950000000001
+100969,Modify the molecule C[NH+](CC(=O)NCc1ccccc1Cn1cccn1)C1CCCCCC1 to decrease its MR value.,C[NH+](CC(=O)NCc1ccccc1Cn1cccn1)C1CCCCCC1,102.86140000000007
+234450,Modify the molecule CCCOc1ncccc1CNC(=O)N(C)Cc1ccc(F)cc1 to have a higher MR value.,CCCOc1ncccc1CNC(=O)N(C)Cc1ccc(F)cc1,90.12570000000004
+122443,Optimize the molecule CCn1cc(C(=O)C(=O)NC[C@](C)(O)c2ccc(F)cc2)cn1 to have a lower MR value.,CCn1cc(C(=O)C(=O)NC[C@](C)(O)c2ccc(F)cc2)cn1,81.21200000000002
+57434,Please modify the molecule NC(=O)[C@H](NC(=O)c1cccs1)c1cccc(Br)c1 to increase its MR value.,NC(=O)[C@H](NC(=O)c1cccs1)c1cccc(Br)c1,77.86260000000001
+16970,Please optimize the molecule CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S@@](=O)C2)c1ccccc1 to have a higher MR value.,CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S@@](=O)C2)c1ccccc1,113.77010000000003
+12614,Modify the molecule CC[C@](C)([NH3+])CN1CC[NH+](CC2CC2)CC1 to increase its MR value.,CC[C@](C)([NH3+])CN1CC[NH+](CC2CC2)CC1,66.31180000000005
+59897,Please optimize the molecule C[NH+]1CCN(C(=O)c2cc3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3n2)CC1 to have a higher MR value.,C[NH+]1CCN(C(=O)c2cc3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3n2)CC1,105.96920000000003
+134229,Modify the molecule Nc1ncc(CN2C(=O)NC3(CCCCC3)C2=O)s1 to have a lower MR value.,Nc1ncc(CN2C(=O)NC3(CCCCC3)C2=O)s1,71.42410000000002
+118626,Please modify the molecule COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 to decrease its MR value.,COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12,127.15900000000003
+51133,Modify the molecule Cc1ccc(CN(C)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)s1 to decrease its MR value.,Cc1ccc(CN(C)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)s1,82.19470000000004
+77491,Please optimize the molecule Cc1c(Cl)cccc1OCC(=O)NNc1ccc(C(C)(C)C)nn1 to have a lower MR value.,Cc1c(Cl)cccc1OCC(=O)NNc1ccc(C(C)(C)C)nn1,94.18140000000004
+102027,Optimize the molecule COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)C[C@@H]1NC(=O)c3ccccc31)C2 to have a lower MR value.,COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)C[C@@H]1NC(=O)c3ccccc31)C2,135.90919999999997
+222126,Optimize the molecule COc1ccc(OCc2ncc(Cl)n2C)c(CO)c1 to have a higher MR value.,COc1ccc(OCc2ncc(Cl)n2C)c(CO)c1,71.46680000000002
+195906,Please modify the molecule CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1cc(Cl)c[nH]c1=O to increase its MR value.,CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1cc(Cl)c[nH]c1=O,79.40990000000002
+144129,Modify the molecule Cc1ccc([C@](C)([NH3+])c2cscc2Br)cc1F to increase its MR value.,Cc1ccc([C@](C)([NH3+])c2cscc2Br)cc1F,72.49810000000001
+29044,Please modify the molecule CCc1cccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 to increase its MR value.,CCc1cccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1,104.14910000000002
+186726,Modify the molecule C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1COc1ccccc1 to decrease its MR value.,C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1COc1ccccc1,90.53620000000004
+9136,Modify the molecule CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCSC(C)(C)C1 to have a lower MR value.,CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCSC(C)(C)C1,89.07900000000005
+237539,Modify the molecule COc1cc(OC)cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 to have a lower MR value.,COc1cc(OC)cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1,98.88290000000005
+187102,Optimize the molecule Cn1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CCOCC2)cn1 to have a higher MR value.,Cn1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CCOCC2)cn1,81.66050000000004
+234356,Please modify the molecule Cc1ccc([C@H](C)OC(=O)c2cc(C)n(C)n2)cc1[N+](=O)[O-] to decrease its MR value.,Cc1ccc([C@H](C)OC(=O)c2cc(C)n(C)n2)cc1[N+](=O)[O-],79.60890000000002
+140033,Modify the molecule COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C[C@@H]1Sc2ccccc2NC1=O to have a higher MR value.,COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C[C@@H]1Sc2ccccc2NC1=O,113.60440000000003
+83323,Modify the molecule C[C@H](O)C[C@H]1CCCN1C(=O)C[C@@H](C)CC(C)(C)C to have a lower MR value.,C[C@H](O)C[C@H]1CCCN1C(=O)C[C@@H](C)CC(C)(C)C,78.88580000000006
+26498,Optimize the molecule CS(=O)(=O)N1CCN(c2ccc(OC(F)F)cn2)CC1 to have a higher MR value.,CS(=O)(=O)N1CCN(c2ccc(OC(F)F)cn2)CC1,69.49880000000003
+18064,Please modify the molecule O=C1N[C@@H](c2cccc(OC(F)(F)F)c2)N2CCCC[C@@H]12 to decrease its MR value.,O=C1N[C@@H](c2cccc(OC(F)(F)F)c2)N2CCCC[C@@H]12,68.35370000000002
+238754,Modify the molecule C[C@H]1C[NH+](C)CCN1C(=O)c1ccc(CN2CCCC2=O)cc1 to decrease its MR value.,C[C@H]1C[NH+](C)CCN1C(=O)c1ccc(CN2CCCC2=O)cc1,88.21220000000005
+202253,Optimize the molecule Cc1ccccc1NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S to have a lower MR value.,Cc1ccccc1NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S,113.82970000000002
+248080,Modify the molecule O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)CSc1ccccn1)CC2 to decrease its MR value.,O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)CSc1ccccn1)CC2,106.38670000000003
+22000,Optimize the molecule COCCn1c(-c2ccccc2C)nc2c(c(=O)c3ccccc3n2C)c1=O to have a higher MR value.,COCCn1c(-c2ccccc2C)nc2c(c(=O)c3ccccc3n2C)c1=O,110.79900000000006
+175237,Optimize the molecule COc1cc(COC(=O)[C@H]2C[C@@H]2C)ccc1OC(F)F to have a lower MR value.,COc1cc(COC(=O)[C@H]2C[C@@H]2C)ccc1OC(F)F,66.69300000000004
+144586,Optimize the molecule CCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C)cc3C)n2)cc1 to have a higher MR value.,CCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C)cc3C)n2)cc1,103.58470000000003
+155327,Modify the molecule CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)NC3=O)c2C)cc1 to decrease its MR value.,CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)NC3=O)c2C)cc1,102.96170000000004
+76024,Please optimize the molecule CC1CCC(N2C[C@@H](C(=O)OC3CCCCC3)CC2=O)CC1 to have a higher MR value.,CC1CCC(N2C[C@@H](C(=O)OC3CCCCC3)CC2=O)CC1,84.20500000000006
+30743,Please optimize the molecule COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)c3cccc4cccc2c34)c1C to have a higher MR value.,COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)c3cccc4cccc2c34)c1C,101.56120000000003
+244918,Modify the molecule CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)CC1 to decrease its MR value.,CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)CC1,97.43910000000007
+10927,Please modify the molecule CCOCCO[C@H]1CCN(Cc2cnc3cnccn23)C1 to increase its MR value.,CCOCCO[C@H]1CCN(Cc2cnc3cnccn23)C1,79.11400000000005
+184160,Please modify the molecule Cc1nn(CCNC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)c(C)c1Br to increase its MR value.,Cc1nn(CCNC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)c(C)c1Br,111.65270000000004
+106099,Modify the molecule COc1ncncc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 to have a lower MR value.,COc1ncncc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1,80.55140000000002
+26375,Modify the molecule COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O to have a lower MR value.,COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O,111.25190000000005
+180834,Optimize the molecule CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCCc1ccccc1OC)CS2 to have a lower MR value.,CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCCc1ccccc1OC)CS2,106.53370000000004
+77099,Optimize the molecule O=C(c1cscn1)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 to have a lower MR value.,O=C(c1cscn1)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1,97.48600000000005
+122725,Please optimize the molecule CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCCCC1 to have a higher MR value.,CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCCCC1,117.55280000000008
+230788,Please modify the molecule Cc1cccc2nc(C(=O)N3CCC[C@@H](N4CCN(c5ccc(F)cc5)CC4)C3)cn12 to increase its MR value.,Cc1cccc2nc(C(=O)N3CCC[C@@H](N4CCN(c5ccc(F)cc5)CC4)C3)cn12,119.04050000000005
+125000,Please modify the molecule COc1ccc(CNC(=O)NCc2ccccc2OC)c(OC)c1 to decrease its MR value.,COc1ccc(CNC(=O)NCc2ccccc2OC)c(OC)c1,91.61540000000005
+113350,Modify the molecule COc1cc(CNc2cnn(CC(F)(F)F)c2)cc(OC)c1 to decrease its MR value.,COc1cc(CNc2cnn(CC(F)(F)F)c2)cc(OC)c1,75.15470000000003
+249410,Please modify the molecule CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1 to decrease its MR value.,CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1,97.89170000000004
+231429,Optimize the molecule CN(C)c1ccc(/C=C/C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)cc1 to have a lower MR value.,CN(C)c1ccc(/C=C/C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)cc1,122.47990000000003
+46463,Please modify the molecule Cc1ncc([C@@H](C)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c(C)n1 to decrease its MR value.,Cc1ncc([C@@H](C)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c(C)n1,95.78270000000006
+119110,Optimize the molecule CC(=O)NCc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)s1 to have a higher MR value.,CC(=O)NCc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)s1,97.68240000000002
+78564,Please optimize the molecule COc1cccc(Nc2noc3c2CN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC3)c1 to have a lower MR value.,COc1cccc(Nc2noc3c2CN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC3)c1,112.37590000000004
+24159,Please optimize the molecule O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 to have a higher MR value.,O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,119.76530000000004
+238917,Please modify the molecule O=C1COc2ccccc2N1CCC(=O)N(Cc1ccc(F)cc1)C1CC1 to increase its MR value.,O=C1COc2ccccc2N1CCC(=O)N(Cc1ccc(F)cc1)C1CC1,98.87900000000003
+86715,Modify the molecule Cc1noc(C)c1CS(=O)(=O)c1ccc(F)cc1 to have a higher MR value.,Cc1noc(C)c1CS(=O)(=O)c1ccc(F)cc1,63.26680000000003
+149765,Please optimize the molecule CC(C)Cc1cc(-c2nccn2Cc2nnc3n2CCC3)n[nH]1 to have a higher MR value.,CC(C)Cc1cc(-c2nccn2Cc2nnc3n2CCC3)n[nH]1,85.79570000000002
+104074,Optimize the molecule CCCN(CCC)C(=O)CN1CCOC[C@@H]1C(N)=O to have a higher MR value.,CCCN(CCC)C(=O)CN1CCOC[C@@H]1C(N)=O,72.53640000000004
+87501,Please modify the molecule COC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 to increase its MR value.,COC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1,91.58870000000005
+83690,Optimize the molecule Cc1cccc2nc(CSc3nc(-c4ccccc4Br)n[nH]3)cn12 to have a lower MR value.,Cc1cccc2nc(CSc3nc(-c4ccccc4Br)n[nH]3)cn12,99.00870000000003
+15232,Modify the molecule CC[NH+](Cc1ccncc1)[C@@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1 to have a higher MR value.,CC[NH+](Cc1ccncc1)[C@@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1,109.17870000000005
+140295,Modify the molecule N#Cc1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N/C(=O)c1ccc(F)cc1 to decrease its MR value.,N#Cc1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N/C(=O)c1ccc(F)cc1,128.1125
+246316,Modify the molecule [NH3+]C[C@@H](Cc1nccs1)c1cccc(Cl)c1 to decrease its MR value.,[NH3+]C[C@@H](Cc1nccs1)c1cccc(Cl)c1,67.76610000000002
+203619,Modify the molecule CCC1(CC)CCN(C(=O)[C@@H]2CC[C@@H](C[NH3+])O2)C1 to have a lower MR value.,CCC1(CC)CCN(C(=O)[C@@H]2CC[C@@H](C[NH3+])O2)C1,69.86210000000004
+235886,Modify the molecule C[NH+](C)CC(=O)N1CCN(C(=O)CCCSc2ccccc2)CC1 to increase its MR value.,C[NH+](C)CC(=O)N1CCN(C(=O)CCCSc2ccccc2)CC1,97.23770000000006
+43756,Optimize the molecule CCOc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1OC to have a higher MR value.,CCOc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1OC,77.21440000000004
+164303,Please modify the molecule CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1F to increase its MR value.,CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1F,94.21850000000005
+110623,Modify the molecule Cc1cc(N2CCC(N(C)[C@H]3CC[NH+]([C@@H](C)c4ccccc4)C3)CC2)nc(C)n1 to increase its MR value.,Cc1cc(N2CCC(N(C)[C@H]3CC[NH+]([C@@H](C)c4ccccc4)C3)CC2)nc(C)n1,118.46270000000008
+8541,Modify the molecule Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+](CC(C)C)C(C)C to increase its MR value.,Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+](CC(C)C)C(C)C,87.13380000000005
+249304,Modify the molecule COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1 to have a higher MR value.,COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1,126.51070000000004
+33797,Modify the molecule CCCC(=O)NC[C@H]1CCCN(c2nc(C)nc3[nH]ccc23)C1 to decrease its MR value.,CCCC(=O)NC[C@H]1CCCN(c2nc(C)nc3[nH]ccc23)C1,91.48040000000005
+82095,Optimize the molecule NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2CCc2ccccc2)CC1 to have a lower MR value.,NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2CCc2ccccc2)CC1,105.53830000000004
+129397,Please optimize the molecule Cc1cccc2nc(NCC[NH+]3CCCC3)nn12 to have a higher MR value.,Cc1cccc2nc(NCC[NH+]3CCCC3)nn12,71.01140000000002
+76491,Modify the molecule C[C@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccco2)[C@@H]1C to decrease its MR value.,C[C@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccco2)[C@@H]1C,79.76790000000004
+171189,Optimize the molecule COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCC(=O)N2CCCCCC2)cc1 to have a higher MR value.,COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCC(=O)N2CCCCCC2)cc1,107.30460000000005
+56482,Optimize the molecule C[NH2+]CC(=O)N(C)c1ccccn1 to have a higher MR value.,C[NH2+]CC(=O)N(C)c1ccccn1,50.36340000000003
+96158,Please modify the molecule CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C\NC[C@@H]1CCCO1 to increase its MR value.,CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C\NC[C@@H]1CCCO1,104.50870000000003
+30413,Please optimize the molecule Cc1c(Cl)cccc1NC(=O)N1C[C@@H]2CCCN2c2ccccc21 to have a higher MR value.,Cc1c(Cl)cccc1NC(=O)N1C[C@@H]2CCCN2c2ccccc21,99.36370000000002
+80732,Optimize the molecule Cn1cc(CNc2ccc(N3CCOCC3)cn2)c(-c2cccs2)n1 to have a lower MR value.,Cn1cc(CNc2ccc(N3CCOCC3)cn2)c(-c2cccs2)n1,101.11670000000004
+215060,Please modify the molecule O=C(NCC[NH+]1CCCCC1)Nc1ccc(F)cc1 to increase its MR value.,O=C(NCC[NH+]1CCCCC1)Nc1ccc(F)cc1,72.83610000000003
+138909,Modify the molecule Cc1cc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)ccc1F to have a higher MR value.,Cc1cc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)ccc1F,79.64840000000002
+138408,Optimize the molecule Cc1cnn(CCC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1 to have a lower MR value.,Cc1cnn(CCC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1,85.65670000000006
+2427,Optimize the molecule Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1F to have a lower MR value.,Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1F,73.66990000000001
+190877,Modify the molecule COC(=O)c1cc(C)nn1-c1nnc(C)c([O-])n1 to increase its MR value.,COC(=O)c1cc(C)nn1-c1nnc(C)c([O-])n1,57.208500000000015
+203196,Please modify the molecule C[C@H]([NH+](C)CCC(=O)[O-])C1(C)CC1 to increase its MR value.,C[C@H]([NH+](C)CCC(=O)[O-])C1(C)CC1,48.18070000000002
+181254,Please optimize the molecule N#Cc1ccc(Cl)c(NC(=O)NC[C@H](O)CN2CCOCC2)c1 to have a lower MR value.,N#Cc1ccc(Cl)c(NC(=O)NC[C@H](O)CN2CCOCC2)c1,86.45420000000003
+55444,Modify the molecule CCCN(CCC)C(=O)CCc1c[nH]c2ccccc12 to decrease its MR value.,CCCN(CCC)C(=O)CCc1c[nH]c2ccccc12,83.78170000000006
+50122,Please modify the molecule Nc1cc(Cl)cc(Cl)c1NC(=O)CCN1CCOCC1=O to increase its MR value.,Nc1cc(Cl)cc(Cl)c1NC(=O)CCN1CCOCC1=O,81.52010000000003
+201227,Optimize the molecule CCCNC(=O)C1CCN(c2ncccc2NC(=O)c2ccc(C)s2)CC1 to have a lower MR value.,CCCNC(=O)C1CCN(c2ncccc2NC(=O)c2ccc(C)s2)CC1,109.48390000000005
+120198,Modify the molecule Cc1ccc(CNC(=O)Nc2ccn(C)n2)cc1F to have a lower MR value.,Cc1ccc(CNC(=O)Nc2ccn(C)n2)cc1F,70.20340000000002
+184352,Optimize the molecule O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1cnccn1 to have a lower MR value.,O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1cnccn1,99.757
+205841,Optimize the molecule CCc1ccc([NH+]2CC[NH2+]C[C@@H]2CC)cc1 to have a lower MR value.,CCc1ccc([NH+]2CC[NH2+]C[C@@H]2CC)cc1,67.04810000000003
+140955,Please optimize the molecule O=C1Cc2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2N1 to have a higher MR value.,O=C1Cc2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2N1,99.68690000000001
+111034,Please modify the molecule CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1c(C)noc1C to decrease its MR value.,CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1c(C)noc1C,73.54440000000004
+57916,Please optimize the molecule COC[C@H](NC(=O)CC1(O)CCCCC1)c1ccc(F)c(F)c1 to have a higher MR value.,COC[C@H](NC(=O)CC1(O)CCCCC1)c1ccc(F)c(F)c1,81.76950000000004
+28170,Please modify the molecule Nc1cc(C(=O)[O-])[nH+]c2ccc(F)cc12 to increase its MR value.,Nc1cc(C(=O)[O-])[nH+]c2ccc(F)cc12,49.2046
+120562,Modify the molecule Cc1ccc(CCC(=O)NCC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 to have a lower MR value.,Cc1ccc(CCC(=O)NCC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1,99.54620000000004
+153949,Modify the molecule O=C(NCc1ccc(F)cc1)C1CN(C(=O)c2cccs2)C1 to decrease its MR value.,O=C(NCc1ccc(F)cc1)C1CN(C(=O)c2cccs2)C1,81.95920000000004
+61793,Modify the molecule c1ccc(-c2nnc(OC[C@@H]3CCCO3)c3ccccc23)cc1 to have a lower MR value.,c1ccc(-c2nnc(OC[C@@H]3CCCO3)c3ccccc23)cc1,89.44300000000004
+149162,Please modify the molecule CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[NH+](C)C4)N2)ccc1OC(=O)c1cccs1 to decrease its MR value.,CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[NH+](C)C4)N2)ccc1OC(=O)c1cccs1,125.89870000000003
+72301,Please modify the molecule CN(CC[NH+]1CCCC1)C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 to increase its MR value.,CN(CC[NH+]1CCCC1)C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1,74.11480000000003
+96320,Modify the molecule NC(=O)c1ccc(N2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 to have a lower MR value.,NC(=O)c1ccc(N2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1,100.02660000000003
+20649,Optimize the molecule Cc1nn2cccnc2c1C(=O)NC[C@H]1CCC[C@@H]1O to have a lower MR value.,Cc1nn2cccnc2c1C(=O)NC[C@H]1CCC[C@@H]1O,73.40500000000003
+96993,Modify the molecule CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1 to have a lower MR value.,CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1,105.38540000000002
+47645,Modify the molecule COCc1nc(C[NH+](C)Cc2ccc(C)o2)cs1 to have a higher MR value.,COCc1nc(C[NH+](C)Cc2ccc(C)o2)cs1,70.56670000000004
+203044,Please modify the molecule COC(=O)[C@@]1([NH2+]C(C)C)CCC[C@@H]1CC[NH+]1CCCCC1 to increase its MR value.,COC(=O)[C@@]1([NH2+]C(C)C)CCC[C@@H]1CC[NH+]1CCCCC1,83.18110000000006
+68166,Modify the molecule COc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O to decrease its MR value.,COc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O,114.91450000000005
+28428,Please modify the molecule CCCN[C@@]1(C#N)CCC[C@H](n2cc[nH+]c2C(C)C)C1 to increase its MR value.,CCCN[C@@]1(C#N)CCC[C@H](n2cc[nH+]c2C(C)C)C1,79.21940000000005
+57918,Optimize the molecule Cc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)c(C)n1Cc1ccccc1 to have a lower MR value.,Cc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)c(C)n1Cc1ccccc1,95.36250000000005
+234030,Modify the molecule CSc1ccc(/C=C/C(=O)Nc2cc(F)ccc2F)cc1 to have a higher MR value.,CSc1ccc(/C=C/C(=O)Nc2cc(F)ccc2F)cc1,82.24470000000001
+237160,Modify the molecule CC(C)c1nc([C@H](C)N[C@@H](C)c2cncc(F)c2)cs1 to have a higher MR value.,CC(C)c1nc([C@H](C)N[C@@H](C)c2cncc(F)c2)cs1,80.36370000000004
+12814,Optimize the molecule C[C@@H](NC[C@@H](O)c1ccccc1)c1ccncc1 to have a lower MR value.,C[C@@H](NC[C@@H](O)c1ccccc1)c1ccncc1,72.05650000000004
+54463,Optimize the molecule Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)Cn1cnc(C)c1C to have a lower MR value.,Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)Cn1cnc(C)c1C,92.50110000000005
+167539,Modify the molecule COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N[C@@H]2CCC[C@H](C)C2)C(C)C)c1 to have a higher MR value.,COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N[C@@H]2CCC[C@H](C)C2)C(C)C)c1,105.20090000000006
+33698,Modify the molecule CCC[NH2+][C@@H](c1occc1C)[C@@H](C)c1ccccn1 to have a higher MR value.,CCC[NH2+][C@@H](c1occc1C)[C@@H](C)c1ccccn1,75.92140000000005
+220409,Please optimize the molecule CC(C)C[C@H](NC(=O)[C@](C)(N)C(F)(F)F)C(=O)[O-] to have a higher MR value.,CC(C)C[C@H](NC(=O)[C@](C)(N)C(F)(F)F)C(=O)[O-],55.040100000000024
+78847,Modify the molecule C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)Cc2ccccc2F)C1 to have a higher MR value.,C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)Cc2ccccc2F)C1,99.00840000000007
+62764,Please optimize the molecule CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc3cnccc23)C12CCCC2 to have a lower MR value.,CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc3cnccc23)C12CCCC2,103.23540000000004
+207279,Please optimize the molecule Cc1n[nH]c(-c2cccc(CNC(=O)[C@H]3CC=CCC3)c2)n1 to have a lower MR value.,Cc1n[nH]c(-c2cccc(CNC(=O)[C@H]3CC=CCC3)c2)n1,84.88340000000004
+21570,Modify the molecule Cc1cc(C)c2oc([C@H]3CCCC[C@H]3C(=O)[O-])nc2c1 to decrease its MR value.,Cc1cc(C)c2oc([C@H]3CCCC[C@H]3C(=O)[O-])nc2c1,73.18900000000004
+52808,Please optimize the molecule Cc1ccccc1CN(C)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 to have a lower MR value.,Cc1ccccc1CN(C)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1,110.16850000000005
+77908,Modify the molecule CC(C)(C)NC(=O)CNc1ccccc1F to have a higher MR value.,CC(C)(C)NC(=O)CNc1ccccc1F,62.78540000000003
+116022,Modify the molecule COc1ccc(Br)cc1N[C@@H](C)c1nc(C(C)C)no1 to have a lower MR value.,COc1ccc(Br)cc1N[C@@H](C)c1nc(C(C)C)no1,81.11870000000003
+132894,Please modify the molecule Cc1cnn(C[C@H]2CCCN2c2ncccc2C#N)c1 to decrease its MR value.,Cc1cnn(C[C@H]2CCCN2c2ncccc2C#N)c1,76.28400000000003
+14242,Modify the molecule COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C to have a higher MR value.,COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C,116.74450000000009
+9274,Modify the molecule C=CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C to increase its MR value.,C=CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C,89.00420000000004
+244832,Modify the molecule COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1F to have a higher MR value.,COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1F,84.20150000000002
+170354,Please optimize the molecule Cc1ccsc1CC[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O to have a lower MR value.,Cc1ccsc1CC[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O,101.75820000000006
+49170,Optimize the molecule CCSc1cncc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)n1 to have a higher MR value.,CCSc1cncc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)n1,96.59440000000005
+76691,Please modify the molecule CC(C)[C@@H]1C(=O)NCCN1c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] to increase its MR value.,CC(C)[C@@H]1C(=O)NCCN1c1cccc(S(C)(=O)=O)c1[N+](=O)[O-],85.18790000000004
+182474,Modify the molecule Nc1nc(C[NH+]2CCCCCCC2)nc2ccccc12 to have a lower MR value.,Nc1nc(C[NH+]2CCCCCCC2)nc2ccccc12,81.43610000000005
+171535,Modify the molecule C[C@@H]1CCCCN1S(=O)(=O)CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 to have a lower MR value.,C[C@@H]1CCCCN1S(=O)(=O)CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1,101.47830000000003
+163576,Optimize the molecule CC[C@H](C)[C@@H](C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 to have a higher MR value.,CC[C@H](C)[C@@H](C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1,88.55940000000005
+32090,Please modify the molecule C[C@H]1C[C@H](C)CCN1C(=O)NCCCOCC1CCOCC1 to decrease its MR value.,C[C@H]1C[C@H](C)CCN1C(=O)NCCCOCC1CCOCC1,86.94370000000006
+221829,Modify the molecule Cc1ccc(OCCc2ccsc2)c(C[NH2+]C(C)C)n1 to increase its MR value.,Cc1ccc(OCCc2ccsc2)c(C[NH2+]C(C)C)n1,83.25740000000005
+221584,Modify the molecule Cc1ccc(-c2c(C)sc3nc(CN4CCN(c5ccc(O)cc5)CC4)[nH]c(=O)c23)cc1 to have a lower MR value.,Cc1ccc(-c2c(C)sc3nc(CN4CCN(c5ccc(O)cc5)CC4)[nH]c(=O)c23)cc1,130.7475
+177698,Optimize the molecule O=C(Nc1ccccn1)c1c(-n2cnnn2)sc2c1CCC2 to have a higher MR value.,O=C(Nc1ccccn1)c1c(-n2cnnn2)sc2c1CCC2,81.24620000000002
+85165,Modify the molecule Cc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)cc1F to decrease its MR value.,Cc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)cc1F,102.40770000000003
+155657,Please optimize the molecule Cc1oc(-c2ccccc2)nc1COC(=O)c1cncc(Br)c1 to have a lower MR value.,Cc1oc(-c2ccccc2)nc1COC(=O)c1cncc(Br)c1,87.73250000000003
+160174,Optimize the molecule COCC[NH+](CC(=O)N1CCCCCC1)CC(C)C to have a lower MR value.,COCC[NH+](CC(=O)N1CCCCCC1)CC(C)C,77.32570000000005
+115177,Optimize the molecule COc1ccc(C[NH+](C)Cc2ccc(Cl)c(F)c2)c(O)c1 to have a higher MR value.,COc1ccc(C[NH+](C)Cc2ccc(Cl)c(F)c2)c(O)c1,80.36350000000003
+132288,Modify the molecule O=C(NCc1cc[nH]n1)c1csc(-c2cccs2)n1 to increase its MR value.,O=C(NCc1cc[nH]n1)c1csc(-c2cccs2)n1,75.18490000000003
+111126,Optimize the molecule CCN1CCCNc2cc(Cl)c(Cl)cc21 to have a higher MR value.,CCN1CCCNc2cc(Cl)c(Cl)cc21,67.45570000000002
+216878,Optimize the molecule Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cn4ccccc4=O)cc3)CC2=O)c1C to have a higher MR value.,Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cn4ccccc4=O)cc3)CC2=O)c1C,121.25170000000004
+247861,Please modify the molecule COc1ccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)cc1C to decrease its MR value.,COc1ccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)cc1C,90.30180000000006
+73794,Please optimize the molecule C#CC[C@@H](O)c1cncc(Br)c1 to have a higher MR value.,C#CC[C@@H](O)c1cncc(Br)c1,50.34680000000002
+83121,Modify the molecule N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 to have a higher MR value.,N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1,131.3198
+35678,Optimize the molecule CC[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2c2ccc(F)cc2)C1 to have a lower MR value.,CC[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2c2ccc(F)cc2)C1,78.88310000000004
+201595,Please optimize the molecule O=C(CN1C(=O)c2ccccc2C1=O)OCc1nnc(-c2ccc(Br)cc2)o1 to have a higher MR value.,O=C(CN1C(=O)c2ccccc2C1=O)OCc1nnc(-c2ccc(Br)cc2)o1,99.03900000000003
+44626,Please optimize the molecule COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(C)nc2c1 to have a higher MR value.,COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(C)nc2c1,97.17420000000003
+243961,Please optimize the molecule Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H](C)c3ccsc3)CC2)s1 to have a higher MR value.,Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H](C)c3ccsc3)CC2)s1,98.85820000000005
+174233,Modify the molecule CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1 to increase its MR value.,CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1,92.80370000000002
+131828,Optimize the molecule O=C(C[C@H]1CCCN1C(=O)Cc1ccc[nH]1)c1cccs1 to have a lower MR value.,O=C(C[C@H]1CCCN1C(=O)Cc1ccc[nH]1)c1cccs1,82.49820000000004
+105515,Please optimize the molecule CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H](O)c2cccc(F)c2)C1 to have a higher MR value.,CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H](O)c2cccc(F)c2)C1,88.15330000000003
+147350,Please modify the molecule Cc1cc(N/C=C2\C(=O)N(c3cc(Cl)ccc3N3CCOCC3)C(=O)c3ccccc32)no1 to increase its MR value.,Cc1cc(N/C=C2\C(=O)N(c3cc(Cl)ccc3N3CCOCC3)C(=O)c3ccccc32)no1,125.58220000000003
+45234,Please modify the molecule Cc1nc(NCCc2nc(C)c(C)s2)ccc1I to increase its MR value.,Cc1nc(NCCc2nc(C)c(C)s2)ccc1I,85.47270000000003
+147016,Modify the molecule COC(=O)c1c(CC(=O)Nc2ccccn2)[nH]c(C(C)=O)c1C to decrease its MR value.,COC(=O)c1c(CC(=O)Nc2ccccn2)[nH]c(C(C)=O)c1C,83.44440000000003
+102277,Please optimize the molecule CCSCCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 to have a higher MR value.,CCSCCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1,79.54200000000004
+179875,Please modify the molecule CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CC[NH+](Cc1ccccc1-c1ccco1)CC2 to decrease its MR value.,CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CC[NH+](Cc1ccccc1-c1ccco1)CC2,117.82920000000004
+185423,Optimize the molecule O=C(Cc1csc(-c2cccc(F)c2)n1)NCCCC(=O)N1Cc2ccccc2C1 to have a higher MR value.,O=C(Cc1csc(-c2cccc(F)c2)n1)NCCCC(=O)N1Cc2ccccc2C1,114.15170000000002
+114939,Modify the molecule CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCCNC2=O)C1 to decrease its MR value.,CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCCNC2=O)C1,77.93220000000004
+132618,Modify the molecule CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)C2)c1 to have a lower MR value.,CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)C2)c1,107.07050000000004
+236388,Optimize the molecule O=C1CN(C(=O)c2cc3ccccc3cc2O)[C@H]2CCCC[C@H]2N1 to have a higher MR value.,O=C1CN(C(=O)c2cc3ccccc3cc2O)[C@H]2CCCC[C@H]2N1,90.83600000000004
+29155,Please modify the molecule O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccccc1[N-]S(=O)(=O)c1ccccc1 to decrease its MR value.,O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccccc1[N-]S(=O)(=O)c1ccccc1,116.785
+229048,Optimize the molecule Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)on1 to have a lower MR value.,Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)on1,91.44820000000003
+41127,Modify the molecule Cc1ccc([C@H](CNC(=O)c2cc3ccccc3nc2N2CCCC2)[NH+]2CCCC2)o1 to decrease its MR value.,Cc1ccc([C@H](CNC(=O)c2cc3ccccc3nc2N2CCCC2)[NH+]2CCCC2)o1,121.63990000000005
+205031,Please optimize the molecule CCC(=O)N1CCC[NH+]([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 to have a lower MR value.,CCC(=O)N1CCC[NH+]([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1,105.41840000000006
+188721,Modify the molecule CC(C)c1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1 to have a lower MR value.,CC(C)c1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1,70.32540000000003
+43436,Modify the molecule CCn1nc(C)c(NC(=O)NCC2([C@H](O)c3ccccc3)CC2)c1C to increase its MR value.,CCn1nc(C)c(NC(=O)NCC2([C@H](O)c3ccccc3)CC2)c1C,97.46520000000004
+169434,Modify the molecule Cc1c(NC(=O)c2ccco2)cccc1C(=O)N1CCc2sccc2C1 to have a higher MR value.,Cc1c(NC(=O)c2ccco2)cccc1C(=O)N1CCc2sccc2C1,100.60370000000002
+235793,Modify the molecule CC(C)[C@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 to increase its MR value.,CC(C)[C@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1,87.67740000000005
+78111,Please modify the molecule CCc1ccc(C[NH+]2CCC(Oc3ccccc3OC)(C(=O)[O-])CC2)nc1 to decrease its MR value.,CCc1ccc(C[NH+]2CCC(Oc3ccccc3OC)(C(=O)[O-])CC2)nc1,98.60970000000005
+18936,Optimize the molecule C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1 to have a lower MR value.,C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1,103.16840000000005
+181141,Please optimize the molecule Cc1noc(C)c1CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C to have a higher MR value.,Cc1noc(C)c1CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C,91.49640000000004
+55569,Modify the molecule COC[C@@H](C)Cn1c(CCCl)nc2cc(Br)cnc21 to have a higher MR value.,COC[C@@H](C)Cn1c(CCCl)nc2cc(Br)cnc21,80.69200000000004
+220529,Please optimize the molecule CC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1C to have a higher MR value.,CC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1C,98.5794
+71394,Please modify the molecule C[NH2+][C@H](c1cc(OC)cc(OC)c1)c1ccccc1F to decrease its MR value.,C[NH2+][C@H](c1cc(OC)cc(OC)c1)c1ccccc1F,75.63840000000003
+141169,Optimize the molecule CC[C@@H](C)CN(C)c1cccc(F)c1C(N)=[NH2+] to have a lower MR value.,CC[C@@H](C)CN(C)c1cccc(F)c1C(N)=[NH2+],69.34680000000002
+70853,Optimize the molecule CCCCN(C)C(=O)[C@@H](C[NH3+])CC(C)C to have a higher MR value.,CCCCN(C)C(=O)[C@@H](C[NH3+])CC(C)C,63.24510000000005
+16491,Please modify the molecule O=S(=O)(c1ccccc1)N1CCC[NH+](Cc2ccc(-c3cccnc3)o2)CC1 to increase its MR value.,O=S(=O)(c1ccccc1)N1CCC[NH+](Cc2ccc(-c3cccnc3)o2)CC1,106.15750000000004
+152784,Optimize the molecule CCC[NH2+][C@@]1(C(=O)OCC)CCC[C@H](n2cc[nH+]c2C)C1 to have a higher MR value.,CCC[NH2+][C@@]1(C(=O)OCC)CCC[C@H](n2cc[nH+]c2C)C1,79.67710000000005
+88130,Optimize the molecule N#Cc1cc(NC(=O)N2CCc3ccc(O)cc3C2)ccc1F to have a higher MR value.,N#Cc1cc(NC(=O)N2CCc3ccc(O)cc3C2)ccc1F,82.35450000000003
+195169,Modify the molecule C[C@@H](c1ncc(C(C)(C)C)o1)[S@](=O)Cc1cccc2ccccc12 to have a lower MR value.,C[C@@H](c1ncc(C(C)(C)C)o1)[S@](=O)Cc1cccc2ccccc12,99.41240000000005
+48615,Optimize the molecule C[C@@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)Sc1ccccc1 to have a higher MR value.,C[C@@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)Sc1ccccc1,100.7287
+1934,Please optimize the molecule CCN(C)C(=O)c1cccc(C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)c1 to have a lower MR value.,CCN(C)C(=O)c1cccc(C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)c1,126.10600000000005
+74425,Modify the molecule CCC[C@@H]1C[C@@H]1NC(=O)Nc1cnn(C(C)(C)C)c1 to decrease its MR value.,CCC[C@@H]1C[C@@H]1NC(=O)Nc1cnn(C(C)(C)C)c1,76.18040000000005
+15333,Modify the molecule CCn1cc(CNC(=O)c2c(N)cnn2CC)cn1 to increase its MR value.,CCn1cc(CNC(=O)c2c(N)cnn2CC)cn1,71.38460000000002
+41996,Please modify the molecule CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ncc(-c2ccccc2)o1 to increase its MR value.,CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ncc(-c2ccccc2)o1,101.48640000000003
+238563,Optimize the molecule COC(=O)COc1cccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn23)c1 to have a higher MR value.,COC(=O)COc1cccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn23)c1,94.3598
+54957,Please modify the molecule COc1cc(CN2C[C@@H](C)C[C@H]([NH3+])C2)ccc1OC(F)F to decrease its MR value.,COc1cc(CN2C[C@@H](C)C[C@H]([NH3+])C2)ccc1OC(F)F,75.36010000000003
+192628,Please modify the molecule CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(OCC(F)(F)F)nc1 to decrease its MR value.,CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(OCC(F)(F)F)nc1,90.96520000000004
+84608,Modify the molecule COc1cccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)c1 to have a higher MR value.,COc1cccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)c1,115.61430000000003
+150614,Please optimize the molecule CC1(C)C[C@H]([NH2+]C(C)(C)C(N)=O)C(C)(C)O1 to have a higher MR value.,CC1(C)C[C@H]([NH2+]C(C)(C)C(N)=O)C(C)(C)O1,62.84680000000004
+164874,Please optimize the molecule CN1C(=O)[C@](CC(=O)N2CC=CCC2)(Cc2ccccc2)c2ccccc21 to have a lower MR value.,CN1C(=O)[C@](CC(=O)N2CC=CCC2)(Cc2ccccc2)c2ccccc21,106.63000000000002
+8589,Please optimize the molecule COc1ccc2c(c1OC)OC(=O)[C@@H](CC(=O)N[C@@H](C)Cc1c[nH]c3ccccc13)[C@@H]2C to have a lower MR value.,COc1ccc2c(c1OC)OC(=O)[C@@H](CC(=O)N[C@@H](C)Cc1c[nH]c3ccccc13)[C@@H]2C,121.31040000000003
+110465,Modify the molecule O=C(NCCCO)Nc1cc(N2CCCC2=O)ccc1Cl to have a lower MR value.,O=C(NCCCO)Nc1cc(N2CCCC2=O)ccc1Cl,81.76320000000003
+248767,Optimize the molecule CSc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 to have a higher MR value.,CSc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1,106.50440000000005
+1981,Modify the molecule N=C1N=C(c2ccccc2)/C(=N/Nc2ccc(F)cc2)S1 to have a higher MR value.,N=C1N=C(c2ccccc2)/C(=N/Nc2ccc(F)cc2)S1,85.7544
+114298,Optimize the molecule CCn1nc(C)c(Cl)c1C[C@H]([NH3+])c1ncc(Cl)cc1Cl to have a higher MR value.,CCn1nc(C)c(Cl)c1C[C@H]([NH3+])c1ncc(Cl)cc1Cl,81.23810000000003
+98843,Modify the molecule CC12C[C@@H](CO)C(C)(c3ccccc31)c1ccccc12 to have a lower MR value.,CC12C[C@@H](CO)C(C)(c3ccccc31)c1ccccc12,80.98480000000005
+221773,Please modify the molecule COc1cc(F)cc(CNC(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c1 to increase its MR value.,COc1cc(F)cc(CNC(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c1,96.49070000000006
+9103,Please optimize the molecule Cc1cc(CCNC(=O)[C@@H]2CCC[NH+](C)C2)on1 to have a lower MR value.,Cc1cc(CCNC(=O)[C@@H]2CCC[NH+](C)C2)on1,67.29840000000003
+231415,Modify the molecule O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)CCCn2cncn2)C1 to decrease its MR value.,O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)CCCn2cncn2)C1,114.24650000000004
+10441,Modify the molecule O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccncc1 to increase its MR value.,O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccncc1,92.2726
+205514,Optimize the molecule Cc1ccc(Br)c(NC(=O)C(C)(C)F)c1 to have a lower MR value.,Cc1ccc(Br)c(NC(=O)C(C)(C)F)c1,62.69570000000002
+44308,Modify the molecule O=C1[C@H](Nc2ncc(Br)cn2)CCCN1Cc1ccccc1 to have a lower MR value.,O=C1[C@H](Nc2ncc(Br)cn2)CCCN1Cc1ccccc1,88.23570000000002
+117258,Please optimize the molecule COc1cc(N2CCC[NH2+]CC2)ccc1Cl to have a higher MR value.,COc1cc(N2CCC[NH2+]CC2)ccc1Cl,66.49340000000004
+187669,Modify the molecule CCC(C)(C)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 to increase its MR value.,CCC(C)(C)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1,91.62070000000004
+223678,Please optimize the molecule COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 to have a higher MR value.,COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1,79.99330000000005
+192029,Please optimize the molecule Cc1cc(C)c(O)c(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1 to have a lower MR value.,Cc1cc(C)c(O)c(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1,89.79680000000002
+56711,Modify the molecule CCc1n[nH]c(C(=O)N(C)[C@H]2COC[C@H]2C(=O)[O-])n1 to increase its MR value.,CCc1n[nH]c(C(=O)N(C)[C@H]2COC[C@H]2C(=O)[O-])n1,60.958200000000026
+193491,Please optimize the molecule CCCCc1nc2ncccc2o1 to have a lower MR value.,CCCCc1nc2ncccc2o1,50.416000000000025
+12241,Modify the molecule C[C@@H](C(=O)N1CCCC1)N1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 to have a higher MR value.,C[C@@H](C(=O)N1CCCC1)N1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1,89.46200000000005
+128181,Please modify the molecule COC(=O)CC1CC[NH+](Cc2oc(C)cc(=O)c2[O-])CC1 to increase its MR value.,COC(=O)CC1CC[NH+](Cc2oc(C)cc(=O)c2[O-])CC1,72.91870000000003
+85561,Please modify the molecule COc1ccccc1C[C@@H](C)NCc1cc(C(N)=O)cs1 to decrease its MR value.,COc1ccccc1C[C@@H](C)NCc1cc(C(N)=O)cs1,85.83660000000003
+221868,Please optimize the molecule CCn1cnnc1CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 to have a higher MR value.,CCn1cnnc1CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1,92.70640000000003
+192464,Please modify the molecule CCc1nc(SCC(=O)N2CCOCC2)c(C#N)c2c1CCCC2 to increase its MR value.,CCc1nc(SCC(=O)N2CCOCC2)c(C#N)c2c1CCCC2,93.09500000000004
+37427,Modify the molecule Cc1nnc(NC(=O)N[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 to have a lower MR value.,Cc1nnc(NC(=O)N[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1,107.67640000000003
+54147,Modify the molecule COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)on2)N2CCOCC2)cc1 to decrease its MR value.,COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)on2)N2CCOCC2)cc1,98.93820000000004
+245291,Modify the molecule O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 to increase its MR value.,O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1,75.60640000000002
+77677,Please modify the molecule CC(C)c1nc2sc3c(NCCCO)ncnc3c2c2c1CCCC2 to increase its MR value.,CC(C)c1nc2sc3c(NCCCO)ncnc3c2c2c1CCCC2,103.63950000000004
+43767,Optimize the molecule C#CCN1CCN(C(=O)C[NH+](C)[C@H](C)c2ccncc2)CC1 to have a higher MR value.,C#CCN1CCN(C(=O)C[NH+](C)[C@H](C)c2ccncc2)CC1,86.25870000000005
+87703,Please modify the molecule O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CCc1ccc(Cl)cc1Cl to increase its MR value.,O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CCc1ccc(Cl)cc1Cl,75.91480000000003
+56940,Modify the molecule CCC(=O)N1N=C(c2ccc([N-]S(C)(=O)=O)cc2)C[C@@H]1c1ccc2ncccc2c1 to have a lower MR value.,CCC(=O)N1N=C(c2ccc([N-]S(C)(=O)=O)cc2)C[C@@H]1c1ccc2ncccc2c1,117.07980000000003
+67079,Modify the molecule O=[N+]([O-])c1ccc2c(c1)=[NH+][C@@H](C(F)(F)F)[NH+]=2 to have a higher MR value.,O=[N+]([O-])c1ccc2c(c1)=[NH+][C@@H](C(F)(F)F)[NH+]=2,42.3208
+33170,Modify the molecule CC(=O)Nc1nc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cs1 to have a higher MR value.,CC(=O)Nc1nc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cs1,94.48340000000005
+140511,Modify the molecule C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 to decrease its MR value.,C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1,98.43040000000006
+36577,Optimize the molecule CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)C1 to have a lower MR value.,CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)C1,110.47820000000003
+16644,Modify the molecule O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3n2C(F)F)cc1 to decrease its MR value.,O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3n2C(F)F)cc1,105.2763
+32336,Modify the molecule CCC(CC)c1nnc(NC(=O)CNC(=O)NC)s1 to increase its MR value.,CCC(CC)c1nnc(NC(=O)CNC(=O)NC)s1,74.32010000000002
+22263,Please optimize the molecule CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccncc1 to have a higher MR value.,CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccncc1,89.04680000000005
+135285,Please optimize the molecule C[C@H]1C[C@](C[NH3+])(N2CCCOCC2)CS1 to have a higher MR value.,C[C@H]1C[C@](C[NH3+])(N2CCCOCC2)CS1,64.03210000000004
+100341,Please modify the molecule Cc1ccc(S(=O)(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)cc1 to increase its MR value.,Cc1ccc(S(=O)(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)cc1,85.31950000000005
+87405,Please optimize the molecule COc1ccc2cc(CNc3ccccc3)c(=O)[nH]c2c1 to have a higher MR value.,COc1ccc2cc(CNc3ccccc3)c(=O)[nH]c2c1,84.88940000000002
+213764,Optimize the molecule NC1=[NH+]C[C@@H](c2ccc3c(c2)OCCCO3)N1CC1CC1 to have a lower MR value.,NC1=[NH+]C[C@@H](c2ccc3c(c2)OCCCO3)N1CC1CC1,79.24410000000005
+92240,Please modify the molecule CC1CCN(C(=O)C2CC[NH+](Cc3cccc4c3OCCCO4)CC2)CC1 to decrease its MR value.,CC1CCN(C(=O)C2CC[NH+](Cc3cccc4c3OCCCO4)CC2)CC1,104.15170000000008
+88044,Modify the molecule Cc1ccc(NC(=O)c2ccccc2C)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 to have a higher MR value.,Cc1ccc(NC(=O)c2ccccc2C)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1,122.27520000000005
+235248,Please modify the molecule CN(C(=O)NCCSCC(C)(C)O)C1CCCCCCC1 to increase its MR value.,CN(C(=O)NCCSCC(C)(C)O)C1CCCCCCC1,90.89150000000006
+197959,Modify the molecule Cc1noc(C)c1N(C)C(=O)Cc1ccc(-n2cnnn2)cc1 to increase its MR value.,Cc1noc(C)c1N(C)C(=O)Cc1ccc(-n2cnnn2)cc1,82.24500000000003
+201940,Please modify the molecule O=[N+]([O-])c1ccc(Br)c(P(=O)([O-])[O-])c1 to increase its MR value.,O=[N+]([O-])c1ccc(Br)c(P(=O)([O-])[O-])c1,48.03690000000002
+145969,Please optimize the molecule NC(=O)[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 to have a lower MR value.,NC(=O)[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1,64.1799
+177116,Please optimize the molecule SC/C=C/COCc1ccccc1 to have a lower MR value.,SC/C=C/COCc1ccccc1,59.09100000000004
+90982,Please optimize the molecule O=C(CCCn1ccnn1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 to have a lower MR value.,O=C(CCCn1ccnn1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1,99.09220000000005
+69047,Optimize the molecule O=C1CC[C@@H](C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)N1 to have a lower MR value.,O=C1CC[C@@H](C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)N1,102.06870000000005
+99218,Please optimize the molecule CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@@H]4CC[C@H](C3)[NH+]4C)c12 to have a higher MR value.,CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@@H]4CC[C@H](C3)[NH+]4C)c12,102.08520000000007
+241824,Optimize the molecule CN(CC[C@H]1CCCC1=O)C1CC[NH2+]CC1 to have a higher MR value.,CN(CC[C@H]1CCCC1=O)C1CC[NH2+]CC1,64.27640000000004
+40815,Please modify the molecule Cc1ccc2nc(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)sc2c1 to increase its MR value.,Cc1ccc2nc(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)sc2c1,105.62120000000002
+167430,Optimize the molecule CCO[C@@H](C)c1nc(CN(C)c2cc(C)c3ccccc3[nH+]2)cs1 to have a higher MR value.,CCO[C@@H](C)c1nc(CN(C)c2cc(C)c3ccccc3[nH+]2)cs1,99.50270000000005
+228848,Optimize the molecule C=CC[NH+](CC(=O)[O-])[C@H]1CC[C@H](C)C1 to have a lower MR value.,C=CC[NH+](CC(=O)[O-])[C@H]1CC[C@H](C)C1,52.70370000000004
+45430,Modify the molecule N#Cc1ccc2nc(N3CCC[C@H](CNC(=O)c4ccccc4)C3)ccc2c1 to have a higher MR value.,N#Cc1ccc2nc(N3CCC[C@H](CNC(=O)c4ccccc4)C3)ccc2c1,110.17020000000002
+243919,Please modify the molecule COCCn1c([O-])c(C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(C)c(C#N)c1=O to increase its MR value.,COCCn1c([O-])c(C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(C)c(C#N)c1=O,97.92250000000004
+100498,Optimize the molecule CCN(C(=O)/C=C/c1ccc2ccccc2n1)[C@@H](C)C(C)C to have a lower MR value.,CCN(C(=O)/C=C/c1ccc2ccccc2n1)[C@@H](C)C(C)C,92.46400000000007
+132040,Please optimize the molecule Nc1c(Cl)cc(-c2nn(C3CC[NH+](CCc4ccccc4)CC3)c(=O)o2)c2c1OCCO2 to have a higher MR value.,Nc1c(Cl)cc(-c2nn(C3CC[NH+](CCc4ccccc4)CC3)c(=O)o2)c2c1OCCO2,120.59210000000004
+227130,Modify the molecule C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)NC2CCCCC2)C1 to have a higher MR value.,C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)NC2CCCCC2)C1,102.56540000000007
+29591,Please optimize the molecule Cc1ccc(C)c(/C=C/C(=O)c2cc3ccccc3oc2=O)c1 to have a higher MR value.,Cc1ccc(C)c(/C=C/C(=O)c2cc3ccccc3oc2=O)c1,91.76450000000004
+223730,Optimize the molecule O=C(NCC1CC[NH2+]CC1)c1ccc([C@@H]2CC[NH2+]C2)cc1 to have a lower MR value.,O=C(NCC1CC[NH2+]CC1)c1ccc([C@@H]2CC[NH2+]C2)cc1,82.17600000000004
+36863,Modify the molecule C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1 to increase its MR value.,C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1,79.26170000000003
+86198,Modify the molecule C[C@H](NC(=O)c1c[nH]c2cccc(F)c12)C(=O)N1CCc2ccccc21 to have a higher MR value.,C[C@H](NC(=O)c1c[nH]c2cccc(F)c12)C(=O)N1CCc2ccccc21,97.68390000000002
+155622,Modify the molecule CNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccc(OC)c(Cl)c1 to have a lower MR value.,CNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccc(OC)c(Cl)c1,110.84770000000002
+203383,Modify the molecule Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ncn(C)n1 to have a higher MR value.,Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ncn(C)n1,77.66840000000002
+68473,Please optimize the molecule Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(N)=O)cc1 to have a higher MR value.,Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(N)=O)cc1,92.43740000000001
+133512,Please modify the molecule COC[C@@H](O)CNC(=O)N[C@@H](c1nccs1)C1CC1 to increase its MR value.,COC[C@@H](O)CNC(=O)N[C@@H](c1nccs1)C1CC1,71.99620000000003
+24376,Please modify the molecule COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 to increase its MR value.,COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1,102.08050000000003
+177993,Please modify the molecule Cc1csc([C@@H](C)n2c(CCCl)nc3c(C)nn(C)c32)n1 to increase its MR value.,Cc1csc([C@@H](C)n2c(CCCl)nc3c(C)nn(C)c32)n1,86.32400000000003
+76410,Optimize the molecule C[C@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(F)cc2Cl)C1 to have a higher MR value.,C[C@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(F)cc2Cl)C1,91.48590000000004
+243053,Modify the molecule O=C([O-])[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)O1 to have a higher MR value.,O=C([O-])[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)O1,62.75410000000004
+24251,Modify the molecule O=C(NCCCc1nnc2n1CCCC2)Nc1ccc([N+](=O)[O-])cc1 to have a lower MR value.,O=C(NCCCc1nnc2n1CCCC2)Nc1ccc([N+](=O)[O-])cc1,91.39880000000002
+214081,Optimize the molecule COc1ccc(N2CCN(C(=S)NC(C)(C)C)CC2)cc1 to have a higher MR value.,COc1ccc(N2CCN(C(=S)NC(C)(C)C)CC2)cc1,92.26670000000006
+62692,Please optimize the molecule CC(C)(C)[NH2+]Cc1ccn(CC(C)(C)C(=O)[O-])c1 to have a lower MR value.,CC(C)(C)[NH2+]Cc1ccn(CC(C)(C)C(=O)[O-])c1,68.60240000000005
+155673,Please optimize the molecule O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 to have a higher MR value.,O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1,101.09750000000003
+183578,Please optimize the molecule N#Cc1cccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 to have a higher MR value.,N#Cc1cccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1,81.73570000000001
+100842,Modify the molecule Cc1ccc(-c2nnco2)cc1NC(=O)c1csc2c1CC[C@@H](C)C2 to decrease its MR value.,Cc1ccc(-c2nnco2)cc1NC(=O)c1csc2c1CC[C@@H](C)C2,97.93220000000002
+38005,Modify the molecule CCc1nn(C)c2c1[nH]c(=S)n2C[C@@H](C)[NH+]1CCCCC1 to increase its MR value.,CCc1nn(C)c2c1[nH]c(=S)n2C[C@@H](C)[NH+]1CCCCC1,87.27640000000004
+84793,Modify the molecule Cc1ccc(C(=O)COc2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1C to have a higher MR value.,Cc1ccc(C(=O)COc2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1C,110.03050000000005
+9052,Modify the molecule CCC[NH+](C)C[C@H]1CCN(c2cc(C(N)=O)ccn2)C1 to have a lower MR value.,CCC[NH+](C)C[C@H]1CCN(c2cc(C(N)=O)ccn2)C1,79.98660000000004
+234205,Please optimize the molecule CCOC(=O)c1ccc(NC(=O)[C@H](C)[C@H]2SC(=O)NC2=O)cc1 to have a lower MR value.,CCOC(=O)c1ccc(NC(=O)[C@H](C)[C@H]2SC(=O)NC2=O)cc1,85.10990000000002
+12245,Modify the molecule Cn1cc(N2CCC[C@H](NC(=O)NCc3ccccc3OCCO)C2)cn1 to have a higher MR value.,Cn1cc(N2CCC[C@H](NC(=O)NCc3ccccc3OCCO)C2)cn1,102.83720000000005
+12119,Optimize the molecule COc1ccc(Nc2ncc(CN3CCN(c4cn[nH]c(=O)c4)CC3)s2)cc1 to have a higher MR value.,COc1ccc(Nc2ncc(CN3CCN(c4cn[nH]c(=O)c4)CC3)s2)cc1,110.73840000000003
+152503,Modify the molecule CCn1c([C@H](C)[NH2+][C@@H](c2nnc3ccccn23)C(C)C)nc2ccccc21 to have a lower MR value.,CCn1c([C@H](C)[NH2+][C@@H](c2nnc3ccccn23)C(C)C)nc2ccccc21,106.31340000000004
+19657,Modify the molecule Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1N1CCCC1=O to have a higher MR value.,Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1N1CCCC1=O,96.67090000000005
+13654,Modify the molecule CSc1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1 to have a higher MR value.,CSc1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1,106.42290000000003
+4565,Please modify the molecule CCc1nn(C)c(OC)c1CNC(=O)c1cnc(N)c(Cl)c1 to decrease its MR value.,CCc1nn(C)c(OC)c1CNC(=O)c1cnc(N)c(Cl)c1,83.96760000000002
+45180,Please optimize the molecule COc1ccc(C[C@@](C)(O)C2(C[NH3+])CCC2)cc1 to have a lower MR value.,COc1ccc(C[C@@](C)(O)C2(C[NH3+])CCC2)cc1,71.36090000000004
+130923,Modify the molecule CC(C)Cn1c([O-])c([C@@H]2[NH2+]CCc3c2[nH]c2ccccc32)c(=O)n(CC(C)C)c1=O to have a higher MR value.,CC(C)Cn1c([O-])c([C@@H]2[NH2+]CCc3c2[nH]c2ccccc32)c(=O)n(CC(C)C)c1=O,114.72210000000007
+108089,Optimize the molecule COc1cc(C[NH+](C)CC(=O)Nc2nccs2)ccc1O to have a higher MR value.,COc1cc(C[NH+](C)CC(=O)Nc2nccs2)ccc1O,80.86020000000003
+28473,Optimize the molecule Cc1c(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C to have a lower MR value.,Cc1c(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C,133.76769999999993
+12013,Please modify the molecule C[C@@H](O)CN1CCN(C(=S)Nc2ccc(Br)cc2)C1=S to increase its MR value.,C[C@@H](O)CN1CCN(C(=S)Nc2ccc(Br)cc2)C1=S,92.92050000000002
+42036,Modify the molecule COc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2C)c1 to have a higher MR value.,COc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2C)c1,76.45670000000003
+72991,Modify the molecule O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)NC1CCCCC1 to increase its MR value.,O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)NC1CCCCC1,84.06970000000004
+190544,Optimize the molecule C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 to have a lower MR value.,C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1,123.53250000000004
+31612,Please modify the molecule C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]C1CCN(S(C)(=O)=O)CC1 to decrease its MR value.,C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]C1CCN(S(C)(=O)=O)CC1,79.87460000000006
+49637,Please optimize the molecule Cc1c(CO)nnn1-c1ccc(F)cc1 to have a lower MR value.,Cc1c(CO)nnn1-c1ccc(F)cc1,51.976800000000026
+158812,Modify the molecule Cc1noc(C)c1S(=O)(=O)N1CCN(c2ncccn2)CC1 to have a higher MR value.,Cc1noc(C)c1S(=O)(=O)N1CCN(c2ncccn2)CC1,78.98080000000004
+76755,Modify the molecule C[C@H](O)C/N=C1/N=C(N2CCOCC2)S1 to decrease its MR value.,C[C@H](O)C/N=C1/N=C(N2CCOCC2)S1,61.40080000000004
+12364,Please modify the molecule O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(SCc2ccccc2F)s1 to decrease its MR value.,O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(SCc2ccccc2F)s1,105.94340000000003
+181744,Please optimize the molecule COc1ccc(S(=O)(=O)/N=C(\[O-])c2cc(C)oc2C)cc1 to have a lower MR value.,COc1ccc(S(=O)(=O)/N=C(\[O-])c2cc(C)oc2C)cc1,74.89880000000004
+6087,Optimize the molecule O/N=C1\CCCCc2c1[nH]c1ccccc21 to have a higher MR value.,O/N=C1\CCCCc2c1[nH]c1ccccc21,64.17720000000003
+62033,Please optimize the molecule O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2Cl)cc1 to have a higher MR value.,O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2Cl)cc1,116.78949999999999
+197017,Modify the molecule Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)[C@@H](C)O to increase its MR value.,Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)[C@@H](C)O,67.30420000000002
+60762,Optimize the molecule CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(F)cc1Cl to have a lower MR value.,CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(F)cc1Cl,100.15470000000005
+192639,Modify the molecule Cc1cc2c(-c3ccccc3F)nc(Cl)nc2s1 to increase its MR value.,Cc1cc2c(-c3ccccc3F)nc(Cl)nc2s1,72.55600000000001
+179625,Please modify the molecule COc1ccccc1C1(CNS(=O)(=O)N(C)C)CCOCC1 to decrease its MR value.,COc1ccccc1C1(CNS(=O)(=O)N(C)C)CCOCC1,85.33450000000005
+230649,Modify the molecule CCC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 to increase its MR value.,CCC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1,101.28400000000002
+40539,Please modify the molecule C[C@H]1CCC[NH+](CCNC(=O)N[C@@H]2C[C@@H]2C)C1 to increase its MR value.,C[C@H]1CCC[NH+](CCNC(=O)N[C@@H]2C[C@@H]2C)C1,68.06510000000004
+176107,Modify the molecule C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@H](C)CCO to have a higher MR value.,C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@H](C)CCO,92.58360000000006
+5880,Optimize the molecule CCOc1ccccc1N1CCN(C(=O)CN2CCSC2=O)CC1 to have a higher MR value.,CCOc1ccccc1N1CCN(C(=O)CN2CCSC2=O)CC1,95.83100000000005
+238525,Please optimize the molecule O=C(CSc1ncnc2sc3c(c12)CCCC3)N/N=C/c1cccs1 to have a lower MR value.,O=C(CSc1ncnc2sc3c(c12)CCCC3)N/N=C/c1cccs1,104.83670000000002
+203945,Optimize the molecule CCCC(=O)N1CCC[C@@H](C(=O)NC(C)(C)c2nc(C)c(C)s2)C1 to have a lower MR value.,CCCC(=O)N1CCC[C@@H](C(=O)NC(C)(C)c2nc(C)c(C)s2)C1,96.96870000000006
+135021,Please modify the molecule C[NH2+][C@@]1(C(=O)[O-])CCC[C@H]([NH+]2CCCCCC2)C1 to increase its MR value.,C[NH2+][C@@]1(C(=O)[O-])CCC[C@H]([NH+]2CCCCCC2)C1,67.00810000000004
+73112,Please modify the molecule C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1cnc2ccccc2c1 to decrease its MR value.,C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1cnc2ccccc2c1,79.25910000000005
+195007,Please modify the molecule Cc1nc(-c2c[nH]c(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cs1 to increase its MR value.,Cc1nc(-c2c[nH]c(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cs1,104.26020000000004
+66430,Please optimize the molecule Cc1c(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cccc1[N+](=O)[O-] to have a higher MR value.,Cc1c(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cccc1[N+](=O)[O-],99.84080000000006
+245084,Optimize the molecule CS(=O)(=O)N[C@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 to have a higher MR value.,CS(=O)(=O)N[C@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1,89.21150000000003
+238203,Please modify the molecule O=C(c1c[nH]nc1-c1ccccc1F)N1CCN(Cc2ccco2)CC1 to increase its MR value.,O=C(c1c[nH]nc1-c1ccccc1F)N1CCN(Cc2ccco2)CC1,93.87020000000003
+84498,Modify the molecule Cn1nnnc1SCC(=O)N1CCN(CCNC(=O)c2cccs2)CC1 to increase its MR value.,Cn1nnnc1SCC(=O)N1CCN(CCNC(=O)c2cccs2)CC1,99.19420000000004
+206386,Please optimize the molecule CCCOCC(=O)NC1(c2ccc(F)cc2F)CCOCC1 to have a higher MR value.,CCCOCC(=O)NC1(c2ccc(F)cc2F)CCOCC1,77.34170000000003
+50055,Optimize the molecule Clc1nnc(SC2COC2)c2ccccc12 to have a lower MR value.,Clc1nnc(SC2COC2)c2ccccc12,65.01200000000003
+19377,Optimize the molecule CN(Cc1ccccc1)C(=O)c1ccc(CSc2ncn[nH]2)cc1 to have a higher MR value.,CN(Cc1ccccc1)C(=O)c1ccc(CSc2ncn[nH]2)cc1,94.62520000000002
+95129,Please modify the molecule COc1ccc(C[NH+]2CCC[C@H]3CCCC[C@H]32)c(OC)c1OC to increase its MR value.,COc1ccc(C[NH+]2CCC[C@H]3CCCC[C@H]32)c(OC)c1OC,90.61170000000007
+235012,Please optimize the molecule COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2ccc(F)cc2)cc1=O to have a higher MR value.,COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2ccc(F)cc2)cc1=O,117.76070000000004
+208732,Please modify the molecule Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C)n2C)cc1F to increase its MR value.,Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C)n2C)cc1F,70.92140000000002
+75485,Please optimize the molecule COC(=O)[C@H]1C(=S)Nc2ccccc2O/C1=N\C=O to have a higher MR value.,COC(=O)[C@H]1C(=S)Nc2ccccc2O/C1=N\C=O,72.29570000000001
+196933,Modify the molecule COC(=O)c1ccc(Nc2nc(N3CC[NH+](C)CC3)c3ccccc3n2)cc1 to have a lower MR value.,COC(=O)c1ccc(Nc2nc(N3CC[NH+](C)CC3)c3ccccc3n2)cc1,109.43590000000003
+11359,Modify the molecule C=CCn1c(-c2ccc3ccccc3n2)nn(C)c1=S to have a higher MR value.,C=CCn1c(-c2ccc3ccccc3n2)nn(C)c1=S,82.96600000000002
+85080,Optimize the molecule C[C@H](Nc1nc2ccc(F)cc2s1)c1ccc(F)cc1 to have a higher MR value.,C[C@H](Nc1nc2ccc(F)cc2s1)c1ccc(F)cc1,78.01570000000004
+150082,Please modify the molecule CC(C)Cn1cncc1CCl to decrease its MR value.,CC(C)Cn1cncc1CCl,46.62200000000003
+100559,Please modify the molecule CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ccccn3)cc(-c3ccco3)nc21 to decrease its MR value.,CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ccccn3)cc(-c3ccco3)nc21,102.53650000000002
+7253,Modify the molecule COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1C to have a lower MR value.,COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1C,99.52430000000003
+171133,Please modify the molecule Cc1noc(C)c1C[S@](=O)[C@H](C)c1ccccc1 to increase its MR value.,Cc1noc(C)c1C[S@](=O)[C@H](C)c1ccccc1,72.68040000000005
+136393,Modify the molecule Cc1ncccc1NC(=O)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 to have a lower MR value.,Cc1ncccc1NC(=O)C(=O)N[C@@H](C)C(=O)NCc1ccccc1,93.49710000000002
+233790,Please modify the molecule CC[C@@H](C#N)NC(=O)c1c(F)ccc([N+](=O)[O-])c1F to decrease its MR value.,CC[C@@H](C#N)NC(=O)c1c(F)ccc([N+](=O)[O-])c1F,60.17060000000001
+214466,Modify the molecule CCCCc1nnc(NC(=O)C(=O)NCc2cn3ccsc3n2)s1 to have a lower MR value.,CCCCc1nnc(NC(=O)C(=O)NCc2cn3ccsc3n2)s1,92.06640000000003
+241785,Modify the molecule Cc1cccc(C)c1-n1nnnc1CS[C@@H](C)[C@@H](C)O to have a lower MR value.,Cc1cccc(C)c1-n1nnnc1CS[C@@H](C)[C@@H](C)O,81.06580000000002
+117219,Please modify the molecule CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC[NH+]1CCc2ccccc2C1 to decrease its MR value.,CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC[NH+]1CCc2ccccc2C1,110.00660000000003
+89984,Optimize the molecule O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 to have a higher MR value.,O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12,105.9732
+69815,Please optimize the molecule Cc1cn2c(=O)c(C(=O)N(CC3CC3)[C@@H](C)c3ccccc3)cnc2s1 to have a higher MR value.,Cc1cn2c(=O)c(C(=O)N(CC3CC3)[C@@H](C)c3ccccc3)cnc2s1,102.69350000000006
+91070,Optimize the molecule Cc1ccc2cccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2n1 to have a higher MR value.,Cc1ccc2cccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2n1,110.66620000000005
+68377,Please optimize the molecule CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCC1(O)CCOCC1 to have a higher MR value.,CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCC1(O)CCOCC1,93.86950000000006
+95907,Please modify the molecule C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1(C(N)=O)CCCC1 to increase its MR value.,C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1(C(N)=O)CCCC1,100.60630000000005
+70995,Modify the molecule COC(=O)c1ccc(Cl)cc1N/C=C1\C(=O)N([C@@H]2CCS(=O)(=O)C2)N=C1C to have a lower MR value.,COC(=O)c1ccc(Cl)cc1N/C=C1\C(=O)N([C@@H]2CCS(=O)(=O)C2)N=C1C,101.51100000000004
+157250,Modify the molecule COc1ccccc1NC(=S)NNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O to have a lower MR value.,COc1ccccc1NC(=S)NNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O,128.8506
+201615,Modify the molecule C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(N2CCNC2=O)CC1 to decrease its MR value.,C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(N2CCNC2=O)CC1,121.52910000000008
+24697,Modify the molecule C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H](O)c1c(F)cccc1F to have a higher MR value.,C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H](O)c1c(F)cccc1F,87.21890000000003
+199466,Please modify the molecule COCOc1ccc(OC)cc1C[NH+](C)[C@@H]1CCCc2c1cnn2C to increase its MR value.,COCOc1ccc(OC)cc1C[NH+](C)[C@@H]1CCCc2c1cnn2C,94.97570000000006
+131522,Modify the molecule CC(C)Cc1nnc(NC(=O)N2CCC[C@H](C)[C@@H]2CO)s1 to increase its MR value.,CC(C)Cc1nnc(NC(=O)N2CCC[C@H](C)[C@@H]2CO)s1,83.44750000000005
+60695,Modify the molecule Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C to increase its MR value.,Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C,106.44220000000004
+179139,Please optimize the molecule CCOC[C@H]1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)C1 to have a higher MR value.,CCOC[C@H]1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)C1,88.15470000000005
+50800,Optimize the molecule Cc1cc(N2CCOCC2)ccc1NC(=O)N[C@@H](C)[C@@H](C)CO to have a lower MR value.,Cc1cc(N2CCOCC2)ccc1NC(=O)N[C@@H](C)[C@@H](C)CO,92.07720000000005
+96718,Modify the molecule Clc1c[nH+]ccc1N1CC[C@@H]2CCCC[C@@H]21 to have a lower MR value.,Clc1c[nH+]ccc1N1CC[C@@H]2CCCC[C@@H]21,65.71670000000003
+199470,Please optimize the molecule Cc1cccc(NC(=O)COc2ccc3c(c2)CCC3)n1 to have a lower MR value.,Cc1cccc(NC(=O)COc2ccc3c(c2)CCC3)n1,81.56570000000004
+48331,Modify the molecule Cc1c(Cl)cccc1NC(=O)C[NH+](CCO)Cc1ccsc1 to have a lower MR value.,Cc1c(Cl)cccc1NC(=O)C[NH+](CCO)Cc1ccsc1,90.62420000000003
+154437,Modify the molecule CC(C)c1nn(C)cc1C[NH+]1CC[C@@H]1c1ccc(Cl)cc1 to decrease its MR value.,CC(C)c1nn(C)cc1C[NH+]1CC[C@@H]1c1ccc(Cl)cc1,85.64070000000005
+242887,Please optimize the molecule CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 to have a higher MR value.,CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21,70.75840000000004
+65026,Optimize the molecule CC(C)(C)c1nc(CN2CCN(C(=O)c3cc(F)ccc3F)CC2)no1 to have a higher MR value.,CC(C)(C)c1nc(CN2CCN(C(=O)c3cc(F)ccc3F)CC2)no1,90.53650000000003
+84948,Modify the molecule N#CCCCNC(=O)[C@H]1CCCCC[C@H]1[NH3+] to have a lower MR value.,N#CCCCNC(=O)[C@H]1CCCCC[C@H]1[NH3+],61.10780000000003
+3579,Optimize the molecule CCn1ncc(C[NH+](Cc2ccc(F)cc2)C[C@H]2CCCO2)c1C to have a higher MR value.,CCn1ncc(C[NH+](Cc2ccc(F)cc2)C[C@H]2CCCO2)c1C,91.24970000000005
+27515,Please modify the molecule Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Sc1cccc2cccnc12 to decrease its MR value.,Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Sc1cccc2cccnc12,138.80279999999985
+137307,Please modify the molecule Cc1ccccc1OCCCCSc1n[nH]c(N)n1 to decrease its MR value.,Cc1ccccc1OCCCCSc1n[nH]c(N)n1,77.42710000000002
+233190,Please modify the molecule C[C@]1(C[NH2+]CC[NH3+])CCCO1 to increase its MR value.,C[C@]1(C[NH2+]CC[NH3+])CCCO1,43.005500000000005
+218035,Modify the molecule CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)C1 to have a lower MR value.,CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)C1,102.11440000000007
+167314,Please modify the molecule Cc1ccnc(N2CCC[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)C2)n1 to increase its MR value.,Cc1ccnc(N2CCC[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)C2)n1,123.50940000000007
+216295,Modify the molecule C[C@H]1CCCN(c2cccc(N)[nH+]2)C1 to have a lower MR value.,C[C@H]1CCCN(c2cccc(N)[nH+]2)C1,58.02110000000003
+43444,Optimize the molecule COc1ccc(OC)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 to have a lower MR value.,COc1ccc(OC)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21,98.99410000000005
+141844,Modify the molecule CC[C@H](C)N(C)C(=O)N[C@@H](C)Cc1ccc(C)cc1C to decrease its MR value.,CC[C@H](C)N(C)C(=O)N[C@@H](C)Cc1ccc(C)cc1C,85.12970000000006
+86233,Modify the molecule COc1cccc(F)c1[C@H](C)NC(=O)N(C)Cc1ccncc1 to have a higher MR value.,COc1cccc(F)c1[C@H](C)NC(=O)N(C)Cc1ccncc1,85.60270000000004
+102684,Modify the molecule Cn1/c(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2cc3c(cc21)OCO3 to have a higher MR value.,Cn1/c(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2cc3c(cc21)OCO3,113.73180000000004
+913,Please modify the molecule C[C@H](c1nc(C(C)(C)C)no1)[S@](=O)Cc1ncn(-c2ccccc2)n1 to decrease its MR value.,C[C@H](c1nc(C(C)(C)C)no1)[S@](=O)Cc1ncn(-c2ccccc2)n1,94.61840000000004
+115782,Please modify the molecule CCN(C[C@@H](C)C#N)C(=O)COc1cccnc1[N+](=O)[O-] to decrease its MR value.,CCN(C[C@@H](C)C#N)C(=O)COc1cccnc1[N+](=O)[O-],73.41740000000003
+155726,Please optimize the molecule CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1C(=O)N(c2cccc(C)c2)C(=O)N=C1[O-] to have a lower MR value.,CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1C(=O)N(c2cccc(C)c2)C(=O)N=C1[O-],110.10600000000002
+81471,Please modify the molecule CCC[NH2+][C@H](c1cncnc1)[C@H]1CN(C(C)C)CCO1 to increase its MR value.,CCC[NH2+][C@H](c1cncnc1)[C@H]1CN(C(C)C)CCO1,78.30540000000005
+38092,Please modify the molecule CCc1cccc(NC(=O)CSc2nnc(Cc3c(C)nc4cc(C)ccn4c3=O)n2C)c1 to decrease its MR value.,CCc1cccc(NC(=O)CSc2nnc(Cc3c(C)nc4cc(C)ccn4c3=O)n2C)c1,129.91870000000003
+80440,Please modify the molecule CCn1c(C)cc([O-])c([C@@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O to decrease its MR value.,CCn1c(C)cc([O-])c([C@@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O,129.97670000000005
+90642,Please optimize the molecule CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 to have a lower MR value.,CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1,75.43290000000003
+138151,Modify the molecule CN(Cc1cnn2c1NCCC2)[C@@H]1CCCN(c2ccccc2)C1 to decrease its MR value.,CN(Cc1cnn2c1NCCC2)[C@@H]1CCCN(c2ccccc2)C1,98.47770000000006
+147529,Modify the molecule CC[NH2+][C@H](CSC)[C@H]1CCO[C@]2(CCOC2)C1 to increase its MR value.,CC[NH2+][C@H](CSC)[C@H]1CCO[C@]2(CCOC2)C1,71.47940000000004
+135569,Please optimize the molecule O=C([O-])C1=C[C@@H](c2cccc(Br)c2)n2nnnc2N1 to have a higher MR value.,O=C([O-])C1=C[C@@H](c2cccc(Br)c2)n2nnnc2N1,66.81070000000001
+53222,Optimize the molecule Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1ccn(C)n1 to have a higher MR value.,Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1ccn(C)n1,84.95870000000004
+50310,Modify the molecule CC(=O)Nc1ccnn1CC1=CCCN(Cc2c[nH]c[nH+]2)C1 to decrease its MR value.,CC(=O)Nc1ccnn1CC1=CCCN(Cc2c[nH]c[nH+]2)C1,81.85610000000003
+74240,Optimize the molecule [NH3+][C@H]1CCC[C@@H](c2nc(-c3ccc(F)cn3)no2)C1 to have a lower MR value.,[NH3+][C@H]1CCC[C@@H](c2nc(-c3ccc(F)cn3)no2)C1,65.37210000000002
+113712,Please optimize the molecule OCC[C@H]1C[NH+](Cc2cccs2)CCN1Cc1ccccc1F to have a lower MR value.,OCC[C@H]1C[NH+](Cc2cccs2)CCN1Cc1ccccc1F,91.02050000000006
+156724,Please modify the molecule Cn1cc([C@H](CN[C@@H](c2cccs2)C2CC2)[NH+](C)C)cn1 to increase its MR value.,Cn1cc([C@H](CN[C@@H](c2cccs2)C2CC2)[NH+](C)C)cn1,86.54640000000005
+152591,Optimize the molecule Fc1cccc(C[NH+]2CCC(c3nnc4ccccn34)CC2)c1Cl to have a lower MR value.,Fc1cccc(C[NH+]2CCC(c3nnc4ccccn34)CC2)c1Cl,90.77270000000004
+207553,Modify the molecule Cc1n[nH]c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 to increase its MR value.,Cc1n[nH]c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1,91.42350000000005
+121773,Optimize the molecule CC(C)CC[C@@]1(CC(=O)N2CCN(C)CC2)CCO[C@H](C(C)C)C1 to have a higher MR value.,CC(C)CC[C@@]1(CC(=O)N2CCN(C)CC2)CCO[C@H](C(C)C)C1,99.01100000000008
+119198,Optimize the molecule C[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)C3=CCC(=O)N=C3)cc2)[C@@H]1C to have a higher MR value.,C[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)C3=CCC(=O)N=C3)cc2)[C@@H]1C,104.70390000000003
+144204,Please modify the molecule C[NH+]1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1CSc1ncn[nH]1)C2 to decrease its MR value.,C[NH+]1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1CSc1ncn[nH]1)C2,101.18760000000005
+201932,Modify the molecule O=C(NCc1ccc2c(c1)OCO2)c1ccc(F)cc1F to have a lower MR value.,O=C(NCc1ccc2c(c1)OCO2)c1ccc(F)cc1F,70.09320000000002
+177836,Please optimize the molecule O=C(Nc1ccc(Br)cc1F)c1cc(Cl)c[nH]1 to have a higher MR value.,O=C(Nc1ccc(Br)cc1F)c1cc(Cl)c[nH]1,67.8559
+65596,Modify the molecule Cc1cc(C)c2c(n1)sc1c(N3CC[NH+](C4CCCCC4)CC3)ncnc12 to have a lower MR value.,Cc1cc(C)c2c(n1)sc1c(N3CC[NH+](C4CCCCC4)CC3)ncnc12,111.97270000000006
+104205,Please optimize the molecule Cc1ccc(-c2csc(NC(=O)c3ccc(-n4cccn4)c(F)c3)n2)s1 to have a lower MR value.,Cc1ccc(-c2csc(NC(=O)c3ccc(-n4cccn4)c(F)c3)n2)s1,101.63920000000002
+139575,Modify the molecule NC(=O)Nc1ccc(OC2CCCC2)cc1 to decrease its MR value.,NC(=O)Nc1ccc(OC2CCCC2)cc1,62.53210000000003
+87981,Modify the molecule Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(c2ccccc2)CC1 to have a higher MR value.,Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(c2ccccc2)CC1,93.06980000000006
+112855,Please modify the molecule COc1ccc2oc([C@@H](C)NC(=O)C[C@@H](O)c3ccccc3)c(C)c2c1 to decrease its MR value.,COc1ccc2oc([C@@H](C)NC(=O)C[C@@H](O)c3ccccc3)c(C)c2c1,100.07950000000004
+19955,Please modify the molecule Cn1cc(S(=O)(=O)Nc2cccc(C#N)c2)cc1C(N)=O to increase its MR value.,Cn1cc(S(=O)(=O)Nc2cccc(C#N)c2)cc1C(N)=O,75.89640000000001
+7769,Please optimize the molecule O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)OCc1cc(=O)n2ccsc2n1 to have a lower MR value.,O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)OCc1cc(=O)n2ccsc2n1,105.22800000000004
+235529,Optimize the molecule CC(C)N(C[C@H]1COc2ccccc2C1)C(=O)CCCN1C(=O)c2ccccc2C1=O to have a lower MR value.,CC(C)N(C[C@H]1COc2ccccc2C1)C(=O)CCCN1C(=O)c2ccccc2C1=O,117.02300000000004
+200940,Modify the molecule O=S(=O)(NCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2)c1ccccc1 to increase its MR value.,O=S(=O)(NCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2)c1ccccc1,110.88050000000001
+138617,Optimize the molecule COc1ccc(CCCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F to have a lower MR value.,COc1ccc(CCCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F,85.83370000000004
+105214,Please optimize the molecule CCCC[C@@H](CC)C[C@H]([NH3+])[C@@H]1CSCCO1 to have a lower MR value.,CCCC[C@@H](CC)C[C@H]([NH3+])[C@@H]1CSCCO1,71.66410000000006
+227083,Modify the molecule COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\C2CCCCC2)N(C)C1=O to increase its MR value.,COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\C2CCCCC2)N(C)C1=O,109.70770000000006
+30806,Optimize the molecule O=C(Cc1csc(-c2ccccc2Cl)n1)NCCc1cccs1 to have a higher MR value.,O=C(Cc1csc(-c2ccccc2Cl)n1)NCCc1cccs1,97.29670000000002
+26549,Optimize the molecule CN(C[C@@H]1CCCC[NH+]1C)C(=O)c1ccc[n+]([O-])c1 to have a lower MR value.,CN(C[C@@H]1CCCC[NH+]1C)C(=O)c1ccc[n+]([O-])c1,71.75520000000004
+122077,Modify the molecule COC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cncc(F)c2)C1 to have a lower MR value.,COC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cncc(F)c2)C1,66.91840000000003
+200343,Please optimize the molecule CC(C)n1ccc(=O)nc1S[C@H]1CCN(c2ccccc2F)C1=O to have a lower MR value.,CC(C)n1ccc(=O)nc1S[C@H]1CCN(c2ccccc2F)C1=O,91.89700000000006
+49831,Please optimize the molecule C[NH+](C1CCSCC1)[C@H]1CCN(c2ccccc2)C1=O to have a lower MR value.,C[NH+](C1CCSCC1)[C@H]1CCN(c2ccccc2)C1=O,84.43370000000006
+161796,Modify the molecule O=C(NC[C@H]1CCC[C@@H](O)C1)C(=O)Nc1ccc(Cl)c(F)c1 to have a lower MR value.,O=C(NC[C@H]1CCC[C@@H](O)C1)C(=O)Nc1ccc(Cl)c(F)c1,81.01420000000002
+1209,Modify the molecule Cc1ccoc1[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 to have a higher MR value.,Cc1ccoc1[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1,91.03240000000005
+227295,Modify the molecule CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccc(OC)c(F)c2F)C1 to have a higher MR value.,CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccc(OC)c(F)c2F)C1,82.49310000000004
+194601,Modify the molecule CCOCC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1 to decrease its MR value.,CCOCC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1,73.25210000000001
+90361,Please optimize the molecule Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(OCC(F)(F)F)c1 to have a higher MR value.,Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(OCC(F)(F)F)c1,78.88740000000003
+167097,Modify the molecule C[C@@](O)(CNC(=O)c1ccc(F)cc1Cl)C1CC1 to have a lower MR value.,C[C@@](O)(CNC(=O)c1ccc(F)cc1Cl)C1CC1,67.09100000000004
+9563,Optimize the molecule CSCC[C@H](C)NC(=O)c1cccc(-c2ccoc2)c1 to have a higher MR value.,CSCC[C@H](C)NC(=O)c1cccc(-c2ccoc2)c1,84.07120000000005
+168279,Please modify the molecule Cc1cccc(OCCn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c1 to increase its MR value.,Cc1cccc(OCCn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c1,92.92000000000003
+240081,Please modify the molecule Cc1[nH]c2ccc(CNS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2c1C to increase its MR value.,Cc1[nH]c2ccc(CNS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2c1C,95.11420000000005
+58330,Optimize the molecule CC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@H](C)OC to have a higher MR value.,CC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@H](C)OC,58.036400000000036
+113106,Optimize the molecule C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(C(C)(C)C)cc1 to have a lower MR value.,C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(C(C)(C)C)cc1,88.21370000000006
+35224,Please modify the molecule Cc1cc(C)n(C[C@H](C)CNC(=O)c2cnc(Oc3ccccc3)cn2)n1 to increase its MR value.,Cc1cc(C)n(C[C@H](C)CNC(=O)c2cnc(Oc3ccccc3)cn2)n1,101.74620000000003
+20523,Optimize the molecule NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O to have a higher MR value.,NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O,83.08540000000004
+198352,Modify the molecule C[C@H](C[NH+]1CCCCC1)[N-]S(=O)(=O)c1[nH+]cn(C)c1Cl to have a lower MR value.,C[C@H](C[NH+]1CCCCC1)[N-]S(=O)(=O)c1[nH+]cn(C)c1Cl,76.40020000000004
+210531,Please modify the molecule C[C@@H]1CCC[C@H](NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)[C@@H]1C to decrease its MR value.,C[C@@H]1CCC[C@H](NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)[C@@H]1C,97.55540000000005
+162822,Modify the molecule C[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)C(C)(C)CO1 to decrease its MR value.,C[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)C(C)(C)CO1,85.24800000000005
+140200,Please optimize the molecule O=C(C[NH+]1CCCC1)NCCc1c(F)cccc1F to have a higher MR value.,O=C(C[NH+]1CCCC1)NCCc1c(F)cccc1F,67.86940000000003
+160150,Optimize the molecule Cc1ccc(O[C@@H](C)C(=O)Nc2[nH]nc(C3CC3)c2C)c(Br)c1 to have a lower MR value.,Cc1ccc(O[C@@H](C)C(=O)Nc2[nH]nc(C3CC3)c2C)c(Br)c1,92.89840000000002
+85988,Optimize the molecule COc1ccccc1-c1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)[nH]n1 to have a higher MR value.,COc1ccccc1-c1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)[nH]n1,82.27420000000002
+139951,Modify the molecule COC(=O)C1(N(C)C(=O)[C@@H](C)c2cccnc2)CCCCC1 to have a lower MR value.,COC(=O)C1(N(C)C(=O)[C@@H](C)c2cccnc2)CCCCC1,83.25400000000005
+239425,Optimize the molecule N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccccn2)cs1 to have a lower MR value.,N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccccn2)cs1,90.62670000000001
+122675,Please optimize the molecule Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)N3c4ccccc4Sc4ccccc43)cc2)n1 to have a lower MR value.,Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)N3c4ccccc4Sc4ccccc43)cc2)n1,131.58049999999994
+122746,Please optimize the molecule N#C[C@@H](Nc1cccc(F)c1)c1cncn1C1CC1 to have a higher MR value.,N#C[C@@H](Nc1cccc(F)c1)c1cncn1C1CC1,68.87470000000003
+54302,Modify the molecule CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1 to have a lower MR value.,CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1,93.62640000000006
+119387,Modify the molecule CC(C)C[C@H](NC(=O)/C=C/C1CC1)c1cccs1 to have a higher MR value.,CC(C)C[C@H](NC(=O)/C=C/C1CC1)c1cccs1,76.52170000000004
+155943,Please modify the molecule CC[C@]1(C)C[C@@](O)(C2(C#N)CCC2)CCO1 to decrease its MR value.,CC[C@]1(C)C[C@@](O)(C2(C#N)CCC2)CCO1,60.72880000000005
+246586,Optimize the molecule C[C@H](C(=O)/C=C1/N(C)c2ccccc2C1(C)C)[N+]12CCN(CC1)CC2 to have a lower MR value.,C[C@H](C(=O)/C=C1/N(C)c2ccccc2C1(C)C)[N+]12CCN(CC1)CC2,101.72440000000006
+203850,Modify the molecule C#Cc1cccc(NC(=O)C[NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)c1 to have a higher MR value.,C#Cc1cccc(NC(=O)C[NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)c1,109.04010000000001
+196994,Modify the molecule COC(=O)[C@]1(N)CCC[C@@H]1CCSc1cccc(C)c1 to increase its MR value.,COC(=O)[C@]1(N)CCC[C@@H]1CCSc1cccc(C)c1,82.79540000000004
+225796,Modify the molecule Cc1[nH]c(CN2CCO[C@@H](CCNC(=O)NC(C)C)C2)c[nH+]1 to increase its MR value.,Cc1[nH]c(CN2CCO[C@@H](CCNC(=O)NC(C)C)C2)c[nH+]1,83.38980000000005
+106708,Please modify the molecule CC(C)CCCNC(=O)C(=O)Nc1ccc(N(C)C)nc1 to increase its MR value.,CC(C)CCCNC(=O)C(=O)Nc1ccc(N(C)C)nc1,84.27540000000005
+60705,Please optimize the molecule O=C(COCc1cc(-c2cccs2)on1)NCc1cccc(F)c1 to have a higher MR value.,O=C(COCc1cc(-c2cccs2)on1)NCc1cccc(F)c1,87.71870000000004
+229643,Modify the molecule CC[C@H]1CC[C@@H]([NH+](C)Cc2c(C)noc2C)C1 to decrease its MR value.,CC[C@H]1CC[C@@H]([NH+](C)Cc2c(C)noc2C)C1,67.98770000000005
+61711,Modify the molecule CCOc1ncccc1C(=O)N[C@@H](C)Cn1ccnc1 to increase its MR value.,CCOc1ncccc1C(=O)N[C@@H](C)Cn1ccnc1,74.56120000000004
+88976,Modify the molecule O=C1CCC(C(=O)Nc2cc(F)cc(F)c2)=NN1 to decrease its MR value.,O=C1CCC(C(=O)Nc2cc(F)cc(F)c2)=NN1,59.799400000000006
+40755,Optimize the molecule C/C(=C/CC[NH2+]C(C)C)C1C[C@@H](C)C[C@H](C)C1 to have a lower MR value.,C/C(=C/CC[NH2+]C(C)C)C1C[C@@H](C)C[C@H](C)C1,75.97140000000006
+190053,Optimize the molecule CCC[NH2+]Cc1csc([C@H]2CN(CC)CCO2)n1 to have a lower MR value.,CCC[NH2+]Cc1csc([C@H]2CN(CC)CCO2)n1,73.70840000000004
+136951,Optimize the molecule C[NH2+][C@H]1CCN(c2cc(OC)ccc2F)[C@H](C)[C@H]1C to have a higher MR value.,C[NH2+][C@H]1CCN(c2cc(OC)ccc2F)[C@H](C)[C@H]1C,75.17840000000004
+135470,Please optimize the molecule O=C(Nc1ccc(CNC(=O)N2CCCCCCC2)cc1)c1ccco1 to have a higher MR value.,O=C(Nc1ccc(CNC(=O)N2CCCCCCC2)cc1)c1ccco1,99.99690000000004
+46806,Please modify the molecule CCS(=O)(=O)CCN(C)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 to decrease its MR value.,CCS(=O)(=O)CCN(C)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1,88.51680000000005
+233492,Please optimize the molecule C[C@H](O)CC(C)(C)CNC(=O)N1CCN(CCc2ccccc2)CC1 to have a lower MR value.,C[C@H](O)CC(C)(C)CNC(=O)N1CCN(CCc2ccccc2)CC1,101.63650000000005
+244508,Modify the molecule CCC[C@H]1NC(=O)CN(c2ccc(C)nc2C)C1=O to have a lower MR value.,CCC[C@H]1NC(=O)CN(c2ccc(C)nc2C)C1=O,72.90270000000002
+112603,Modify the molecule C[C@H]1C[C@H](C)C[NH+]([C@@H]2CCCCC[C@@H]2C[NH3+])C1 to increase its MR value.,C[C@H]1C[C@H](C)C[NH+]([C@@H]2CCCCC[C@@H]2C[NH3+])C1,71.75980000000006
+80076,Please modify the molecule Cc1n[nH]c(C)c1CN1CCC([NH+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 to decrease its MR value.,Cc1n[nH]c(C)c1CN1CCC([NH+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1,100.94610000000006
+108539,Optimize the molecule O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(c2cc[nH+]cc2)CC1 to have a higher MR value.,O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(c2cc[nH+]cc2)CC1,84.16860000000004
+239050,Modify the molecule NC(=O)C[C@H](NS(=O)(=O)c1cccc2nsnc12)C1CCCCC1 to have a lower MR value.,NC(=O)C[C@H](NS(=O)(=O)c1cccc2nsnc12)C1CCCCC1,91.91090000000003
+228755,Please optimize the molecule CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1Cl to have a higher MR value.,CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1Cl,90.27290000000005
+68983,Modify the molecule CC[C@@H](C)N(CC)[C@@H](C[NH3+])c1c(F)cccc1F to have a lower MR value.,CC[C@@H](C)N(CC)[C@@H](C[NH3+])c1c(F)cccc1F,68.98710000000004
+30938,Modify the molecule CCc1[nH]c(C(=O)Nc2cccc(CSC)c2)c(C)c1C(=O)OC to have a higher MR value.,CCc1[nH]c(C(=O)Nc2cccc(CSC)c2)c(C)c1C(=O)OC,97.86140000000005
+204972,Modify the molecule CC1(C)C[C@@H](NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)CCO1 to have a higher MR value.,CC1(C)C[C@@H](NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)CCO1,104.13970000000005
+240095,Please optimize the molecule C[C@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)C1 to have a lower MR value.,C[C@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)C1,93.46470000000006
+25040,Modify the molecule Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2CCOC(C)C)cc1C to have a lower MR value.,Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2CCOC(C)C)cc1C,103.30620000000006
+228871,Please optimize the molecule C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C(=O)[O-])c1 to have a higher MR value.,C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C(=O)[O-])c1,66.98060000000002
+245832,Please modify the molecule COC(=O)c1oc(C[NH+](C[C@H]2CCCCO2)C(C)C)cc1C to decrease its MR value.,COC(=O)c1oc(C[NH+](C[C@H]2CCCCO2)C(C)C)cc1C,83.04520000000005
+70206,Please optimize the molecule CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(C4CC4)no3)nnc12 to have a lower MR value.,CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(C4CC4)no3)nnc12,105.58900000000004
+71345,Modify the molecule Cc1ccc(NC(=O)N2CC[C@H]3CCCC[C@@H]32)s1 to decrease its MR value.,Cc1ccc(NC(=O)N2CC[C@H]3CCCC[C@@H]32)s1,75.14370000000004
+44421,Optimize the molecule Cc1ccn2c(C[NH+](C)Cc3cc(C)on3)cnc2c1 to have a higher MR value.,Cc1ccn2c(C[NH+](C)Cc3cc(C)on3)cnc2c1,75.46370000000003
+181734,Modify the molecule CN(C)C(=O)c1cccc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1 to have a lower MR value.,CN(C)C(=O)c1cccc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1,97.02430000000003
+228085,Optimize the molecule CC(C)(O)CNC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 to have a lower MR value.,CC(C)(O)CNC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1,90.70550000000003
+198790,Modify the molecule O=C(Nc1ccc(CCN2CCOCC2)cc1)C(=O)N[C@H]1CCc2ccccc21 to increase its MR value.,O=C(Nc1ccc(CCN2CCOCC2)cc1)C(=O)N[C@H]1CCc2ccccc21,111.68140000000002
+111838,Please modify the molecule C[NH2+][C@@H](C)c1c(F)cccc1N1CCO[C@H](C#N)C1 to increase its MR value.,C[NH2+][C@@H](C)c1c(F)cccc1N1CCO[C@H](C#N)C1,70.23040000000003
+89239,Modify the molecule O=C(c1cccs1)N1CCc2[nH]c3ccccc3c2C1 to have a lower MR value.,O=C(c1cccs1)N1CCc2[nH]c3ccccc3c2C1,81.06220000000003
+148427,Modify the molecule COc1ccc([C@H](O)[C@@H](C)NC(=O)Nc2ccc(-n3cccn3)cc2)cc1 to decrease its MR value.,COc1ccc([C@H](O)[C@@H](C)NC(=O)Nc2ccc(-n3cccn3)cc2)cc1,103.1342
+234893,Modify the molecule C[C@H](Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccccc1 to have a lower MR value.,C[C@H](Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccccc1,96.963
+37017,Please optimize the molecule CC(C)(C)OC(=O)N1CCC(CNC(=O)NCc2cccc(C(F)(F)F)c2)CC1 to have a higher MR value.,CC(C)(C)OC(=O)N1CCC(CNC(=O)NCc2cccc(C(F)(F)F)c2)CC1,102.21340000000005
+191146,Modify the molecule C#CCN(CC#C)C(=O)CCCNC(=O)NC1CCCCC1 to have a higher MR value.,C#CCN(CC#C)C(=O)CCCNC(=O)NC1CCCCC1,86.88740000000004
+219952,Please modify the molecule CN(C)C(=O)c1ccc(F)c(NC(=O)NC[C@H](O)c2ccccc2F)c1 to decrease its MR value.,CN(C)C(=O)c1ccc(F)c(NC(=O)NC[C@H](O)c2ccccc2F)c1,92.79870000000004
+64837,Please modify the molecule CC/C(=C/C(=O)N(C)C[C@H](C)C(=O)NC)c1ccc(C)cc1 to decrease its MR value.,CC/C(=C/C(=O)N(C)C[C@H](C)C(=O)NC)c1ccc(C)cc1,90.31470000000006
+194504,Optimize the molecule O=C(Cc1c[nH]c2ccccc12)N1CCC(CN2CCOCC2)CC1 to have a lower MR value.,O=C(Cc1c[nH]c2ccccc12)N1CCC(CN2CCOCC2)CC1,98.56570000000005
+160041,Optimize the molecule c1ccc2c(c1)C[C@@H](C[NH+]1CCC[C@H]3CCCC[C@@H]31)S2 to have a higher MR value.,c1ccc2c(c1)C[C@@H](C[NH+]1CCC[C@H]3CCCC[C@@H]31)S2,85.46770000000005
+233150,Optimize the molecule C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCC(=O)N2CCCc3ccccc32)C1 to have a lower MR value.,C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCC(=O)N2CCCc3ccccc32)C1,97.88810000000005
+25772,Optimize the molecule COc1ccccc1C[NH+](C)Cc1nc([O-])c2ccc(Cl)cc2n1 to have a higher MR value.,COc1ccccc1C[NH+](C)Cc1nc([O-])c2ccc(Cl)cc2n1,91.28270000000003
+78397,Modify the molecule C[C@H](CCO)N(Cc1ccccc1)Cc1ccc(C#N)cc1F to have a higher MR value.,C[C@H](CCO)N(Cc1ccccc1)Cc1ccc(C#N)cc1F,87.96880000000006
+154207,Please optimize the molecule CCCC[NH+](C)CC1CCN(C(=O)NCC(=O)N2CCCC2)CC1 to have a higher MR value.,CCCC[NH+](C)CC1CCN(C(=O)NCC(=O)N2CCCC2)CC1,95.03840000000005
+42496,Modify the molecule CCOc1ccc(O)c(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 to increase its MR value.,CCOc1ccc(O)c(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c1,101.94170000000004
+182686,Please modify the molecule Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 to increase its MR value.,Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1,86.92790000000002
+227266,Optimize the molecule CCS(=O)(=O)c1ccc(NC(=O)N(C)CCOc2cc(C)cc(C)c2)cc1 to have a higher MR value.,CCS(=O)(=O)c1ccc(NC(=O)N(C)CCOc2cc(C)cc(C)c2)cc1,107.22850000000004
+124478,Please modify the molecule Cc1cccc(-c2ccc(C(=O)N[C@@H](C)c3nncn3C)c(=O)[nH]2)c1 to increase its MR value.,Cc1cccc(-c2ccc(C(=O)N[C@@H](C)c3nncn3C)c(=O)[nH]2)c1,94.11990000000003
+89031,Please modify the molecule CNC(=O)C1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 to decrease its MR value.,CNC(=O)C1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)CC1,88.20220000000005
+186672,Please modify the molecule Cc1ccc(Cl)c(O[C@H](C)C(=O)NNc2ccc(F)cc2)c1 to decrease its MR value.,Cc1ccc(Cl)c(O[C@H](C)C(=O)NNc2ccc(F)cc2)c1,84.44440000000002
+151619,Modify the molecule O=C(NCCn1c(-c2ccncc2)nc2cccnc21)Nc1ccccc1Br to have a higher MR value.,O=C(NCCn1c(-c2ccncc2)nc2cccnc21)Nc1ccccc1Br,111.9224
+223201,Modify the molecule C[NH2+][C@]1(C(=O)OC)CCC[C@@H](OCC(F)(F)F)C1 to decrease its MR value.,C[NH2+][C@]1(C(=O)OC)CCC[C@@H](OCC(F)(F)F)C1,56.85940000000003
+153761,Please modify the molecule O=C(NCc1ccccc1-n1cccn1)N1CCc2ccc(O)cc2C1 to increase its MR value.,O=C(NCc1ccccc1-n1cccn1)N1CCc2ccc(O)cc2C1,98.02050000000004
+205922,Optimize the molecule CC(C)CNC(=O)c1cccnc1OCC(C)C to have a higher MR value.,CC(C)CNC(=O)c1cccnc1OCC(C)C,71.74120000000005
+71263,Please modify the molecule CN(CC[NH+]1CCCC1)Cc1ccc([S@@](C)=O)cc1 to increase its MR value.,CN(CC[NH+]1CCCC1)Cc1ccc([S@@](C)=O)cc1,79.90610000000005
+60423,Please optimize the molecule Cc1cc(C)c(NC(=O)C[C@H](C(=O)[O-])[NH+]2CCN(C)CC2)c(C)c1 to have a higher MR value.,Cc1cc(C)c(NC(=O)C[C@H](C(=O)[O-])[NH+]2CCN(C)CC2)c(C)c1,90.88840000000005
+183061,Modify the molecule CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 to decrease its MR value.,CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1,84.62940000000006
+41831,Modify the molecule Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CCCCCCC2)CC1 to have a higher MR value.,Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CCCCCCC2)CC1,106.37610000000008
+207293,Modify the molecule Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C)CC4)n(Cc4ccccc4)c3nc12 to decrease its MR value.,Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C)CC4)n(Cc4ccccc4)c3nc12,120.63950000000001
+148866,Please optimize the molecule CCSc1nnc(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)s1 to have a lower MR value.,CCSc1nnc(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)s1,91.63270000000003
+246783,Please modify the molecule COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cc(Cl)ccc1Cl to increase its MR value.,COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cc(Cl)ccc1Cl,82.04250000000005
+125179,Please modify the molecule CCc1ccsc1[C@H]([NH3+])c1csc2ccccc12 to increase its MR value.,CCc1ccsc1[C@H]([NH3+])c1csc2ccccc12,80.25310000000003
+167654,Please modify the molecule CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@H](c2ccccc2F)C1)c1ccccc1 to decrease its MR value.,CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@H](c2ccccc2F)C1)c1ccccc1,110.22570000000002
+101798,Modify the molecule N#Cc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCOc2ccccc21 to have a higher MR value.,N#Cc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCOc2ccccc21,93.24720000000002
+181773,Please modify the molecule Cc1nnc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1-c1ccccc1 to increase its MR value.,Cc1nnc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1-c1ccccc1,129.761
+153855,Optimize the molecule C[C@H]1CN(c2ccc(NC(=O)Nc3cnn(CCO)c3)cc2F)C[C@H](C)O1 to have a lower MR value.,C[C@H]1CN(c2ccc(NC(=O)Nc3cnn(CCO)c3)cc2F)C[C@H](C)O1,100.57620000000004
+44283,Optimize the molecule CC[C@H](Nc1ncc(Cl)cc1F)c1nc(C)cs1 to have a lower MR value.,CC[C@H](Nc1ncc(Cl)cc1F)c1nc(C)cs1,72.71070000000002
+140887,Please optimize the molecule CCCC[C@H](C(=O)[O-])[C@@]1(O)CCCc2ccccc21 to have a higher MR value.,CCCC[C@H](C(=O)[O-])[C@@]1(O)CCCc2ccccc21,71.29880000000004
+149316,Please modify the molecule O=C(NC1CCCC1)[C@H]1CCCN(c2nnc(N3CCCCC3=O)s2)C1 to increase its MR value.,O=C(NC1CCCC1)[C@H]1CCCN(c2nnc(N3CCCCC3=O)s2)C1,101.44870000000006
+159772,Optimize the molecule CCc1nn(C)cc1CNc1cccc(N2CCOC2=O)c1 to have a higher MR value.,CCc1nn(C)cc1CNc1cccc(N2CCOC2=O)c1,85.04870000000004
+31995,Modify the molecule O=C(Nc1ccc(N2CCC[C@H](C[NH+]3CCCC3)C2)c(C(=O)[O-])c1)c1ccccc1Cl to decrease its MR value.,O=C(Nc1ccc(N2CCC[C@H](C[NH+]3CCCC3)C2)c(C(=O)[O-])c1)c1ccccc1Cl,119.91240000000003
+23787,Please modify the molecule Cc1cc(CNC(=O)c2scnc2C2CC2)ccc1F to decrease its MR value.,Cc1cc(CNC(=O)c2scnc2C2CC2)ccc1F,76.39620000000002
+52489,Modify the molecule COC(=O)c1c(SCc2cc(C)on2)nc(=O)[nH]c1C to have a higher MR value.,COC(=O)c1c(SCc2cc(C)on2)nc(=O)[nH]c1C,71.7352
+82302,Optimize the molecule CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccccc1 to have a higher MR value.,CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccccc1,100.72700000000003
+65713,Modify the molecule O=C(CCc1cccc([N+](=O)[O-])c1)Nc1c(F)cccc1F to decrease its MR value.,O=C(CCc1cccc([N+](=O)[O-])c1)Nc1c(F)cccc1F,76.40510000000002
+43422,Please modify the molecule CC(=O)c1ccc(NC(=O)NCC(=O)Nc2cccc(F)c2)cc1C to increase its MR value.,CC(=O)c1ccc(NC(=O)NCC(=O)Nc2cccc(F)c2)cc1C,93.23460000000001
+29493,Optimize the molecule COc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1S(=O)(=O)N1CCCC1 to have a higher MR value.,COc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1S(=O)(=O)N1CCCC1,100.35000000000004
+71180,Please optimize the molecule O=C(NCc1ccc(F)cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 to have a lower MR value.,O=C(NCc1ccc(F)cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1,101.66770000000002
+213257,Optimize the molecule C#CCN(CC#C)CC(=O)N[C@@H](C)C(=O)N(C)C to have a higher MR value.,C#CCN(CC#C)CC(=O)N[C@@H](C)C(=O)N(C)C,70.40470000000003
+167262,Optimize the molecule O=C(NCC[NH+]1CCCCC1)N1CCC(OCc2ccccc2)CC1 to have a lower MR value.,O=C(NCC[NH+]1CCCCC1)N1CCC(OCc2ccccc2)CC1,98.63940000000008
+85071,Please modify the molecule COc1cc(-c2nc3sc4ccccc4n3c2NC(C)(C)C)cc(OC)c1O to increase its MR value.,COc1cc(-c2nc3sc4ccccc4n3c2NC(C)(C)C)cc(OC)c1O,114.15550000000003
+175597,Modify the molecule Fc1cc([C@@H]2OCC[C@H]2NCc2cccnc2)ccc1Cl to increase its MR value.,Fc1cc([C@@H]2OCC[C@H]2NCc2cccnc2)ccc1Cl,79.58470000000004
+217443,Optimize the molecule CC(C)(C)c1nn([C@@H]2CCS(=O)(=O)C2)c(N)c1Cl to have a higher MR value.,CC(C)(C)c1nn([C@@H]2CCS(=O)(=O)C2)c(N)c1Cl,72.65720000000003
+174051,Modify the molecule Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)[O-])ccc23)cc1 to have a higher MR value.,Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)[O-])ccc23)cc1,85.07850000000002
+2332,Please optimize the molecule CSc1nnc(S[C@H](C(=O)Nc2ccc(C)c(C)c2)C(C)C)s1 to have a lower MR value.,CSc1nnc(S[C@H](C(=O)Nc2ccc(C)c(C)c2)C(C)C)s1,100.71870000000006
+103043,Please modify the molecule Cc1csc(N(C(=O)c2cnc(Cc3ccccc3)s2)C2CC2)n1 to increase its MR value.,Cc1csc(N(C(=O)c2cnc(Cc3ccccc3)s2)C2CC2)n1,98.04450000000003
+38471,Optimize the molecule CN(C)c1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 to have a higher MR value.,CN(C)c1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1,98.7782
+66467,Modify the molecule C[C@@H](NC(=O)CN1CCO[C@H]2CCCC[C@@H]21)C1CC1 to have a lower MR value.,C[C@@H](NC(=O)CN1CCO[C@H]2CCCC[C@@H]21)C1CC1,73.89770000000006
+48545,Please optimize the molecule CC[NH2+][C@H](Cc1cnn(CC)c1)C[NH+](C)C to have a lower MR value.,CC[NH2+][C@H](Cc1cnn(CC)c1)C[NH+](C)C,65.53710000000004
+146436,Modify the molecule Cc1cccn2c(=O)c(C(=O)N3CCCc4cc(F)cc(F)c43)cnc12 to increase its MR value.,Cc1cccn2c(=O)c(C(=O)N3CCCc4cc(F)cc(F)c43)cnc12,92.55450000000002
+147055,Modify the molecule O=C(NC1CC1)c1cnc2snnc2c1 to have a lower MR value.,O=C(NC1CC1)c1cnc2snnc2c1,55.69820000000001
+235857,Please optimize the molecule NC(=O)CC[C@H]1CCC[NH+](C2CCSCC2)C1 to have a lower MR value.,NC(=O)CC[C@H]1CCC[NH+](C2CCSCC2)C1,72.19610000000004
+159238,Please modify the molecule Cc1noc2ncn(CC(=O)c3ccccc3)c(=O)c12 to decrease its MR value.,Cc1noc2ncn(CC(=O)c3ccccc3)c(=O)c12,71.57350000000002
+84167,Modify the molecule Cc1csc(C[S@](=O)[C@@H](C)c2ccccc2)n1 to have a higher MR value.,Cc1csc(C[S@](=O)[C@@H](C)c2ccccc2)n1,73.55440000000003
+242427,Modify the molecule CC(C)CN1CCO[C@H](CNS(=O)(=O)/C=C/c2ccccc2)C1 to decrease its MR value.,CC(C)CN1CCO[C@H](CNS(=O)(=O)/C=C/c2ccccc2)C1,93.41650000000007
+183750,Please optimize the molecule Cn1cnc(S(=O)(=O)NCc2ccsc2)c1Cl to have a lower MR value.,Cn1cnc(S(=O)(=O)NCc2ccsc2)c1Cl,66.56250000000003
+210654,Modify the molecule CCO[C@@H](C)c1nc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cs1 to increase its MR value.,CCO[C@@H](C)c1nc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cs1,88.62120000000004
+240824,Please optimize the molecule CCCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl to have a higher MR value.,CCCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl,102.23090000000003
+150799,Modify the molecule [NH3+][C@@H]1CC[C@@H](Nc2cc(F)c(F)cc2F)C1 to decrease its MR value.,[NH3+][C@@H]1CC[C@@H](Nc2cc(F)c(F)cc2F)C1,54.25380000000001
+209076,Please modify the molecule CCc1ccc(CCC(=O)N2CC[C@H](C(=O)OC)c3ccccc32)cc1 to increase its MR value.,CCc1ccc(CCC(=O)N2CC[C@H](C(=O)OC)c3ccccc32)cc1,102.31000000000004
+91866,Please optimize the molecule O=C(CSc1nnnn1-c1ccc(Cl)cc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 to have a lower MR value.,O=C(CSc1nnnn1-c1ccc(Cl)cc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1,118.9388
+29526,Modify the molecule CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)cc1 to decrease its MR value.,CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)cc1,102.50190000000003
+59221,Optimize the molecule Cc1ccc(CN(Cc2cccnc2)C(=S)Nc2cc(Cl)ccc2Cl)o1 to have a higher MR value.,Cc1ccc(CN(Cc2cccnc2)C(=S)Nc2cc(Cl)ccc2Cl)o1,109.6117
+222882,Please optimize the molecule COC(C)(C)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] to have a lower MR value.,COC(C)(C)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-],84.99590000000003
+42867,Modify the molecule Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc(-n2cncn2)cc1)C1CC1 to have a lower MR value.,Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc(-n2cncn2)cc1)C1CC1,101.62470000000003
+195548,Modify the molecule COc1ccc(-c2noc(CC[NH+]3CCCN(c4ncccn4)CC3)n2)cc1 to increase its MR value.,COc1ccc(-c2noc(CC[NH+]3CCCN(c4ncccn4)CC3)n2)cc1,104.41570000000004
+37411,Optimize the molecule COc1ccc(C(=O)[O-])cc1-c1cc(C)c(F)cc1F to have a lower MR value.,COc1ccc(C(=O)[O-])cc1-c1cc(C)c(F)cc1F,67.41350000000001
+11383,Optimize the molecule N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 to have a lower MR value.,N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1,104.32940000000002
+88992,Modify the molecule CCc1noc(-c2ccc(CCN[C@H](C)c3scnc3C)cc2)n1 to increase its MR value.,CCc1noc(-c2ccc(CCN[C@H](C)c3scnc3C)cc2)n1,96.08470000000004
+236380,Please optimize the molecule COc1ccc(Cn2c([O-])c(C(=O)Cc3cccc4ccccc34)c(C)c(C#N)c2=O)cc1 to have a higher MR value.,COc1ccc(Cn2c([O-])c(C(=O)Cc3cccc4ccccc34)c(C)c(C#N)c2=O)cc1,123.67850000000004
+112635,Modify the molecule CCOc1ccc(CC(=O)Nc2cc(C)nn2-c2ccc(C)nn2)cc1 to increase its MR value.,CCOc1ccc(CC(=O)Nc2cc(C)nn2-c2ccc(C)nn2)cc1,98.57270000000003
+69139,Optimize the molecule CCn1c(SCC(=O)c2ccc(C)cc2C)nc2ccccc2c1=O to have a higher MR value.,CCn1c(SCC(=O)c2ccc(C)cc2C)nc2ccccc2c1=O,102.64750000000005
+122256,Modify the molecule O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1Cl to increase its MR value.,O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1Cl,91.67790000000004
+103562,Modify the molecule Cc1ccc(C)c(CS(=O)(=O)Cc2ncoc2C(C)C)c1 to increase its MR value.,Cc1ccc(C)c(CS(=O)(=O)Cc2ncoc2C(C)C)c1,82.83580000000003
+200176,Modify the molecule Cc1ccccc1NC(=O)c1cn2ncnc2nc1C to decrease its MR value.,Cc1ccccc1NC(=O)c1cn2ncnc2nc1C,74.65120000000002
+211131,Please modify the molecule Cc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)cc1 to increase its MR value.,Cc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)cc1,97.74320000000003
+240855,Optimize the molecule COC(=O)[C@@H](NC(=O)C1=CCCC1)c1ccc(F)c(F)c1 to have a lower MR value.,COC(=O)[C@@H](NC(=O)C1=CCCC1)c1ccc(F)c(F)c1,71.19170000000001
+192545,Please optimize the molecule Cc1cc(Br)ccc1-n1c(=S)[nH]c2cnccc21 to have a higher MR value.,Cc1cc(Br)ccc1-n1c(=S)[nH]c2cnccc21,78.69170000000003
+242510,Modify the molecule C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C[C@H]1O to decrease its MR value.,C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C[C@H]1O,71.78150000000002
+227868,Optimize the molecule COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ncn(-c2ccccc2)n1 to have a lower MR value.,COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ncn(-c2ccccc2)n1,81.97020000000003
+86970,Please modify the molecule O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)c1 to increase its MR value.,O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)c1,97.15500000000002
+179481,Modify the molecule CCCCN(C(=O)c1ccc(F)cc1)C1=C[C@@H]2CC[C@H](C1)[NH+]2C to increase its MR value.,CCCCN(C(=O)c1ccc(F)cc1)C1=C[C@@H]2CC[C@H](C1)[NH+]2C,88.74120000000005
+5546,Please modify the molecule Cc1nn2c(C)c(C(=O)NCc3ccccc3F)cnc2c1-c1ccc(F)cc1 to increase its MR value.,Cc1nn2c(C)c(C(=O)NCc3ccccc3F)cnc2c1-c1ccc(F)cc1,105.42520000000002
+201977,Optimize the molecule CS[C@H]1CCC[C@@H]1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 to have a lower MR value.,CS[C@H]1CCC[C@@H]1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1,87.88820000000004
+156630,Please modify the molecule Cc1nccc(N2CCC[C@@H]2Cn2cccn2)n1 to decrease its MR value.,Cc1nccc(N2CCC[C@@H]2Cn2cccn2)n1,69.36400000000003
+194246,Please optimize the molecule Cc1nccn1-c1ccc(CN[C@H](C)c2nccs2)cc1F to have a lower MR value.,Cc1nccn1-c1ccc(CN[C@H](C)c2nccs2)cc1F,85.62770000000005
+178402,Please optimize the molecule Cc1cc(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)no1 to have a lower MR value.,Cc1cc(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)no1,85.14270000000003
+227434,Modify the molecule COc1cccc(-c2nc(-c3ccc(=O)[nH]c3)no2)c1OC to have a lower MR value.,COc1cccc(-c2nc(-c3ccc(=O)[nH]c3)no2)c1OC,78.89470000000001
+188858,Optimize the molecule N#CC(C#N)=CNC1CC[NH+](Cc2ccccc2)CC1 to have a higher MR value.,N#CC(C#N)=CNC1CC[NH+](Cc2ccccc2)CC1,76.30940000000004
+90921,Please modify the molecule Cc1cccc2nc(C[NH+]3CCC(OCc4ccccc4F)CC3)cn12 to increase its MR value.,Cc1cccc2nc(C[NH+]3CCC(OCc4ccccc4F)CC3)cn12,98.54070000000004
+3462,Modify the molecule O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccc(F)cc2)CC1 to increase its MR value.,O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccc(F)cc2)CC1,90.61470000000001
+194499,Please modify the molecule O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCN(S(=O)(=O)c2cccs2)CC1 to increase its MR value.,O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCN(S(=O)(=O)c2cccs2)CC1,118.13450000000003
+227105,Modify the molecule CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 to increase its MR value.,CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1,113.26570000000008
+35247,Please modify the molecule O=C([O-])CCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 to decrease its MR value.,O=C([O-])CCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3,87.25470000000004
+53123,Please modify the molecule Cc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 to decrease its MR value.,Cc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1,112.14870000000005
+195261,Optimize the molecule Cn1ccnc(NC(=O)CCc2ccc(Br)cc2)c1=O to have a higher MR value.,Cn1ccnc(NC(=O)CCc2ccc(Br)cc2)c1=O,80.57070000000003
+185197,Please optimize the molecule COc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 to have a higher MR value.,COc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1,75.24650000000003
+144869,Optimize the molecule CCc1nc(CNc2cccc(C(=O)N3CCSCC3)c2C)no1 to have a lower MR value.,CCc1nc(CNc2cccc(C(=O)N3CCSCC3)c2C)no1,95.41020000000003
+47177,Modify the molecule C/C(=C1/SC(=O)N(c2ccccc2F)C1=O)c1ccc(O)cc1 to have a lower MR value.,C/C(=C1/SC(=O)N(c2ccccc2F)C1=O)c1ccc(O)cc1,87.5738
+148605,Please modify the molecule CC1(C)CC[NH+](CC(=O)Nc2cc(Cl)ccc2N)C1 to decrease its MR value.,CC1(C)CC[NH+](CC(=O)Nc2cc(Cl)ccc2N)C1,78.45580000000002
+26232,Modify the molecule N#C[C@@H](NC(=O)c1cn(Cc2cccnc2)nn1)c1cccc(Cl)c1 to decrease its MR value.,N#C[C@@H](NC(=O)c1cn(Cc2cccnc2)nn1)c1cccc(Cl)c1,90.63320000000002
+123171,Please optimize the molecule CS[C@@H]1CC[C@H](NC(=O)NCCc2cc(F)ccc2F)C1 to have a lower MR value.,CS[C@@H]1CC[C@H](NC(=O)NCCc2cc(F)ccc2F)C1,81.53840000000002
+147118,Modify the molecule Cc1cc(C2(O)[C@H]3CCC[C@H]32)sc1Br to increase its MR value.,Cc1cc(C2(O)[C@H]3CCC[C@H]32)sc1Br,61.48380000000003
+90367,Modify the molecule O=C1CCCCN1CN(Cc1ccccc1)C[C@@H](O)c1ccco1 to have a higher MR value.,O=C1CCCCN1CN(Cc1ccccc1)C[C@@H](O)c1ccco1,90.95080000000004
+33693,Please optimize the molecule OCc1ccc2c(Br)ccc(Br)c2c1 to have a lower MR value.,OCc1ccc2c(Br)ccc(Br)c2c1,65.27080000000002
+90685,Please modify the molecule COc1cccc(C[C@H]2CN(Cc3nc(C(C)C)no3)CCO2)c1 to decrease its MR value.,COc1cccc(C[C@H]2CN(Cc3nc(C(C)C)no3)CCO2)c1,90.10200000000005
+141951,Please modify the molecule Cc1cccc([C@@H](N)c2cc(C(F)(F)F)ccc2F)c1C to decrease its MR value.,Cc1cccc([C@@H](N)c2cc(C(F)(F)F)ccc2F)c1C,73.34840000000001
+128917,Modify the molecule CN(Cc1ccncc1)C(=O)C1(c2ccc(F)cc2F)CCCC1 to decrease its MR value.,CN(Cc1ccncc1)C(=O)C1(c2ccc(F)cc2F)CCCC1,87.21500000000003
+102406,Modify the molecule CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1ncc(C(C)C)o1 to decrease its MR value.,CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1ncc(C(C)C)o1,83.66640000000004
+77199,Modify the molecule CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C(C)=O)CC2)CC1=O to have a higher MR value.,CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C(C)=O)CC2)CC1=O,104.44200000000006
+49184,Please optimize the molecule C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1Cc1cn(C)nc1-c1ccncc1 to have a lower MR value.,C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1Cc1cn(C)nc1-c1ccncc1,106.04100000000003
+57239,Optimize the molecule C/C=C(/C)C(=O)Nc1ccc(-c2nccs2)cc1 to have a higher MR value.,C/C=C(/C)C(=O)Nc1ccc(-c2nccs2)cc1,75.61070000000004
+7452,Modify the molecule Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc2c(c1)OCCO2 to have a higher MR value.,Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc2c(c1)OCCO2,96.72940000000003
+74913,Please optimize the molecule CNC(=O)c1ccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)cc1 to have a lower MR value.,CNC(=O)c1ccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)cc1,87.00700000000005
+193291,Please modify the molecule C#CCOc1ccc([C@@H]2NC(=O)[C@@H]3COCCN32)cc1OCC to decrease its MR value.,C#CCOc1ccc([C@@H]2NC(=O)[C@@H]3COCCN32)cc1OCC,84.13570000000004
+213918,Please optimize the molecule CN1C(=O)CC[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1cccc(F)c1 to have a lower MR value.,CN1C(=O)CC[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1cccc(F)c1,89.65070000000006
+190212,Modify the molecule CS(=O)(=O)N1CCO[C@H](CNc2nnc(C3CCC3)o2)C1 to increase its MR value.,CS(=O)(=O)N1CCO[C@H](CNc2nnc(C3CCC3)o2)C1,75.53650000000003
+204564,Optimize the molecule Cc1cc(C)n2c(CN3CCN4C(=O)NC[C@H]4C3)cnc2n1 to have a higher MR value.,Cc1cc(C)n2c(CN3CCN4C(=O)NC[C@H]4C3)cnc2n1,81.63070000000005
+163712,Please modify the molecule COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(C)n1 to decrease its MR value.,COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(C)n1,89.44000000000004
+68597,Please modify the molecule O=C(NC[C@@H]1CCCO1)C(=O)Nc1cnc(-c2ccccc2)s1 to increase its MR value.,O=C(NC[C@@H]1CCCO1)C(=O)Nc1cnc(-c2ccccc2)s1,88.16340000000002
+107884,Please modify the molecule CC/[NH+]=C(/NCC(C)C)N[C@H]1CC[C@H](SC)C1 to decrease its MR value.,CC/[NH+]=C(/NCC(C)C)N[C@H]1CC[C@H](SC)C1,77.42910000000005
+20634,Please optimize the molecule COc1ccccc1[C@H](N)c1nc(C(=O)[O-])c[nH]1 to have a lower MR value.,COc1ccccc1[C@H](N)c1nc(C(=O)[O-])c[nH]1,61.94260000000001
+8296,Optimize the molecule Cc1ccnc(NC(=O)CN(C)C(=O)c2ccnc3ccccc23)c1 to have a lower MR value.,Cc1ccnc(NC(=O)CN(C)C(=O)c2ccnc3ccccc23)c1,96.30720000000002
+119448,Please modify the molecule Nc1ccc(OCC(=O)c2ccccc2)cc1 to increase its MR value.,Nc1ccc(OCC(=O)c2ccccc2)cc1,67.12190000000002
+233227,Modify the molecule O=C(OCc1cnn(-c2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 to have a lower MR value.,O=C(OCc1cnn(-c2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1,107.22690000000006
+146276,Please modify the molecule Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccccc3)[C@@H]4C2=O)no1 to decrease its MR value.,Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccccc3)[C@@H]4C2=O)no1,92.38870000000003
+51211,Modify the molecule Cn1c(C(=O)Nc2cnc3n2CCCC3)cc2cccc(Cl)c21 to have a higher MR value.,Cn1c(C(=O)Nc2cnc3n2CCCC3)cc2cccc(Cl)c21,91.04720000000003
+246994,Please optimize the molecule C=CCOC(=O)c1c2c(nc3ccc(C)cc13)CCN(C(=O)c1ccccc1F)C2 to have a higher MR value.,C=CCOC(=O)c1c2c(nc3ccc(C)cc13)CCN(C(=O)c1ccccc1F)C2,111.80400000000004
+15337,Modify the molecule CCCNc1nnc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)s1 to have a higher MR value.,CCCNc1nnc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)s1,97.61210000000003
+242348,Modify the molecule CC(C)n1ccc2cc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)ccc21 to have a higher MR value.,CC(C)n1ccc2cc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)ccc21,92.08750000000002
+247785,Please optimize the molecule NC(=O)CN1CCC[C@@H]1c1ccnc(-c2ccc(Cl)cc2)n1 to have a higher MR value.,NC(=O)CN1CCC[C@@H]1c1ccnc(-c2ccc(Cl)cc2)n1,85.22040000000003
+64589,Please modify the molecule Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccc(F)cc1 to decrease its MR value.,Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1ccc(F)cc1,116.21720000000002
+160087,Modify the molecule C[C@@H](CO)CS[C@@H](C)C[C@@](C)([NH3+])C(=O)[O-] to have a lower MR value.,C[C@@H](CO)CS[C@@H](C)C[C@@](C)([NH3+])C(=O)[O-],59.086900000000036
+95151,Optimize the molecule CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(N2CCCCCC2)c1 to have a lower MR value.,CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(N2CCCCCC2)c1,105.32570000000005
+147119,Please modify the molecule O=C(Nc1ccc(F)c(F)c1)c1cccc(NC(=O)c2c[nH]c(-c3n[nH]c4ncccc34)c2)c1 to increase its MR value.,O=C(Nc1ccc(F)c(F)c1)c1cccc(NC(=O)c2c[nH]c(-c3n[nH]c4ncccc34)c2)c1,122.3818
+151651,Please modify the molecule COc1cccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1OC to decrease its MR value.,COc1cccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1OC,102.13650000000005
+112420,Modify the molecule COC(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)c2ccccc21 to increase its MR value.,COC(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)c2ccccc21,99.41600000000003
+205859,Modify the molecule CC(C)CC1=NN=C2CCN(C(=O)c3ccc4c(c3)CCO4)C[C@H]21 to have a lower MR value.,CC(C)CC1=NN=C2CCN(C(=O)c3ccc4c(c3)CCO4)C[C@H]21,93.97650000000006
+181004,Modify the molecule COC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl to have a lower MR value.,COC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl,115.55939999999998
+230832,Please optimize the molecule Cc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(Br)c1 to have a lower MR value.,Cc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(Br)c1,96.80870000000004
+82492,Please modify the molecule CCCN[C@@]1(C#N)CCC[C@H](OC2CCC2)C1 to increase its MR value.,CCCN[C@@]1(C#N)CCC[C@H](OC2CCC2)C1,67.61770000000006
+682,Modify the molecule O=C(C1CCC1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 to have a higher MR value.,O=C(C1CCC1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1,100.47400000000005
+93526,Optimize the molecule CC(C)CCN1C(=O)C2=C3CCCC[C@H]3SC2=N[C@@H]1SCC(=O)[C@@H]1C=CC=N1 to have a lower MR value.,CC(C)CCN1C(=O)C2=C3CCCC[C@H]3SC2=N[C@@H]1SCC(=O)[C@@H]1C=CC=N1,118.14900000000007
+203762,Modify the molecule Cn1c(=O)n(CCC(=O)NCc2cccc(NS(C)(=O)=O)c2)c2ccccc21 to increase its MR value.,Cn1c(=O)n(CCC(=O)NCc2cccc(NS(C)(=O)=O)c2)c2ccccc21,108.55120000000002
+44874,Please modify the molecule O=C(Cc1ccccc1)NN1C(=O)/C(=C/C2=c3ccccc3=[NH+]C2)SC1=S to increase its MR value.,O=C(Cc1ccccc1)NN1C(=O)/C(=C/C2=c3ccccc3=[NH+]C2)SC1=S,107.43940000000002
+171343,Optimize the molecule O=C(Nc1ccccc1C(F)(F)F)c1cnn(Cc2ccccc2Cl)c1 to have a higher MR value.,O=C(Nc1ccccc1C(F)(F)F)c1cnn(Cc2ccccc2Cl)c1,92.1782
+245814,Please optimize the molecule Cn1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1=O to have a lower MR value.,Cn1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1=O,94.14620000000005
+226968,Please optimize the molecule COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)N[C@H](C)c2ccccc2)c1C to have a higher MR value.,COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)N[C@H](C)c2ccccc2)c1C,117.0719
+9540,Modify the molecule O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1cccc2cn[nH]c12 to increase its MR value.,O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1cccc2cn[nH]c12,119.26570000000004
+117101,Please modify the molecule CC1=C(C(=O)Nc2ccc(C)c(C)c2)C2(CCCCC2)OC1=O to increase its MR value.,CC1=C(C(=O)Nc2ccc(C)c(C)c2)C2(CCCCC2)OC1=O,89.15370000000006
+67106,Please optimize the molecule [NH3+][C@H](Cc1ccccc1Br)[C@@H]1CCOC2(CCOCC2)C1 to have a higher MR value.,[NH3+][C@H](Cc1ccccc1Br)[C@@H]1CCOC2(CCOCC2)C1,85.98210000000005
+150339,Modify the molecule COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccccc2F)c1 to increase its MR value.,COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccccc2F)c1,106.8544
+214149,Modify the molecule CC(C)([C@@H]([NH3+])C1CC1)[NH+]1CCCC1 to increase its MR value.,CC(C)([C@@H]([NH3+])C1CC1)[NH+]1CCCC1,53.409800000000025
+53436,Optimize the molecule Clc1ccc(COCC2CC[NH2+]CC2)c(Cl)c1 to have a lower MR value.,Clc1ccc(COCC2CC[NH2+]CC2)c(Cl)c1,70.50140000000005
+134096,Modify the molecule CC1CCC(NC(=O)[C@]2(C)CCC(=O)N2CCc2ccccc2)CC1 to have a lower MR value.,CC1CCC(NC(=O)[C@]2(C)CCC(=O)N2CCc2ccccc2)CC1,99.06070000000007
+8052,Modify the molecule Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(Cc1cccnc1)CO2 to increase its MR value.,Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(Cc1cccnc1)CO2,114.54550000000003
+126739,Optimize the molecule Cc1ccc2ncc(C(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)n2c1 to have a lower MR value.,Cc1ccc2ncc(C(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)n2c1,102.09090000000003
+82853,Please modify the molecule Cn1c(-c2nnc(SCC(=O)Nc3cccc(F)c3)o2)cc2ccccc21 to increase its MR value.,Cn1c(-c2nnc(SCC(=O)Nc3cccc(F)c3)o2)cc2ccccc21,101.96470000000001
+51801,Optimize the molecule C#CCNC(=O)c1ccnc(OC2CCCCC2)c1 to have a higher MR value.,C#CCNC(=O)c1ccnc(OC2CCCCC2)c1,72.90420000000005
+188023,Please modify the molecule O=C([O-])c1ccc(/N=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1 to decrease its MR value.,O=C([O-])c1ccc(/N=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1,116.3425
+201530,Please modify the molecule O=S(=O)(c1c(F)cccc1F)N1CCN(S(=O)(=O)N2CCCCC2)CC1 to decrease its MR value.,O=S(=O)(c1c(F)cccc1F)N1CCN(S(=O)(=O)N2CCCCC2)CC1,91.03360000000005
+226824,Modify the molecule CN(C)C(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(F)c2)cc1 to have a lower MR value.,CN(C)C(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(F)c2)cc1,91.33590000000001
+191717,Optimize the molecule Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1ccc2c(c1)OCCO2 to have a lower MR value.,Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1ccc2c(c1)OCCO2,112.97120000000002
+42908,Optimize the molecule C[C@@H]1C[NH+](CCC(=O)N2CCOCC2)C[C@@H](C)S1 to have a higher MR value.,C[C@@H]1C[NH+](CCC(=O)N2CCOCC2)C[C@@H](C)S1,74.09470000000005
+205651,Please optimize the molecule CC[C@@H]1SC(=S)N(Cc2nnc(-c3ccc(C)cc3)o2)C1=O to have a lower MR value.,CC[C@@H]1SC(=S)N(Cc2nnc(-c3ccc(C)cc3)o2)C1=O,89.28900000000003
+239790,Please modify the molecule COc1ccc(N/C(=N/C(=O)c2ccc(C)c(C)c2)NCc2ccncc2)cc1 to increase its MR value.,COc1ccc(N/C(=N/C(=O)c2ccc(C)c(C)c2)NCc2ccncc2)cc1,115.37490000000001
+183390,Modify the molecule COc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc(OC)c1OC to increase its MR value.,COc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc(OC)c1OC,112.64030000000005
+59839,Modify the molecule C[C@H]([C@@H](C)Cl)[C@@H]1CCOC2(CCSCC2)C1 to increase its MR value.,C[C@H]([C@@H](C)Cl)[C@@H]1CCOC2(CCSCC2)C1,72.44500000000005
+156084,Please modify the molecule CCc1ccc(CNC(=O)[C@@H](CC)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 to increase its MR value.,CCc1ccc(CNC(=O)[C@@H](CC)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1,129.59369999999998
+122044,Please modify the molecule Cn1cc(CCNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cn1 to increase its MR value.,Cn1cc(CCNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cn1,106.88320000000003
+163372,Optimize the molecule N#Cc1cncc(N2CCC[C@@H]([NH3+])C2)c1 to have a lower MR value.,N#Cc1cncc(N2CCC[C@@H]([NH3+])C2)c1,57.07510000000002
+158878,Modify the molecule CCn1c(CC2CCN(Cc3[nH+]ccn3C)CC2)n[nH]c1=O to increase its MR value.,CCn1c(CC2CCN(Cc3[nH+]ccn3C)CC2)n[nH]c1=O,82.19540000000003
+6044,Please modify the molecule Cc1nn(C)c(=O)c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1C to decrease its MR value.,Cc1nn(C)c(=O)c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1C,72.56450000000004
+180610,Modify the molecule CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1C to have a lower MR value.,CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1C,105.67140000000005
+60529,Please modify the molecule CCC[NH2+][C@H]1CC[C@H](N(C)C[C@@H]2CCC[NH+]2CC)C1 to decrease its MR value.,CCC[NH2+][C@H]1CC[C@H](N(C)C[C@@H]2CCC[NH+]2CC)C1,80.53310000000006
+178238,Please optimize the molecule CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 to have a higher MR value.,CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1,86.50090000000003
+62896,Modify the molecule CC[NH+]1CCC(CCNC(=O)N2CCOc3ccccc3C2)CC1 to decrease its MR value.,CC[NH+]1CCC(CCNC(=O)N2CCOc3ccccc3C2)CC1,94.32440000000005
+25993,Optimize the molecule C[C@@H]1CCN(CCCN2C(=O)CNC2=O)c2ccccc21 to have a higher MR value.,C[C@@H]1CCN(CCCN2C(=O)CNC2=O)c2ccccc21,81.41570000000004
+48695,Please optimize the molecule [NH3+][C@H]1CCCCC[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 to have a higher MR value.,[NH3+][C@H]1CCCCC[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1,79.91990000000001
+191045,Modify the molecule Cc1noc(C)c1C[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N to decrease its MR value.,Cc1noc(C)c1C[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N,76.71970000000002
+93126,Please modify the molecule O=C(CCCCO)N1CCO[C@@H]2CCC[C@@H]21 to increase its MR value.,O=C(CCCCO)N1CCO[C@@H]2CCC[C@@H]21,60.02880000000005
+96611,Please modify the molecule COC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(OC)cc1 to decrease its MR value.,COC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(OC)cc1,98.31650000000003
+240537,Please optimize the molecule O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(Cl)cc1F to have a lower MR value.,O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(Cl)cc1F,72.27820000000003
+128693,Modify the molecule Cc1cc(O)cc(-c2ccc(C)cc2Cl)c1 to have a lower MR value.,Cc1cc(O)cc(-c2ccc(C)cc2Cl)c1,68.02680000000004
+146245,Modify the molecule CN(C[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1)C(=O)OC(C)(C)C to increase its MR value.,CN(C[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1)C(=O)OC(C)(C)C,93.66340000000005
+150676,Modify the molecule CCOc1ccc(C2(CNC(=O)c3ccc(Br)cc3F)CCOCC2)cc1 to have a higher MR value.,CCOc1ccc(C2(CNC(=O)c3ccc(Br)cc3F)CCOCC2)cc1,105.77520000000003
+33602,Modify the molecule O=c1cc(COc2ccc(S(=O)(=O)c3ccccc3)cc2)c2cc3c(cc2o1)CCC3 to have a higher MR value.,O=c1cc(COc2ccc(S(=O)(=O)c3ccccc3)cc2)c2cc3c(cc2o1)CCC3,117.17680000000006
+90293,Please optimize the molecule CC(C)n1nccc1C(=O)Nc1c[nH]cc(Br)c1=O to have a lower MR value.,CC(C)n1nccc1C(=O)Nc1c[nH]cc(Br)c1=O,75.32790000000001
+128875,Modify the molecule Cc1cccc(-n2c([O-])nc3nc(NCc4ccc5c(c4)OCO5)ncc3c2=O)c1C to decrease its MR value.,Cc1cccc(-n2c([O-])nc3nc(NCc4ccc5c(c4)OCO5)ncc3c2=O)c1C,111.74170000000005
+108655,Please modify the molecule CN(CCc1ccccn1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl to decrease its MR value.,CN(CCc1ccccn1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl,89.46330000000003
+212108,Modify the molecule CC(C)CCOc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 to have a higher MR value.,CC(C)CCOc1ccc(NC(=O)NCC2(O)CCOCC2)cc1,93.41620000000006
+10838,Please modify the molecule CCOC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CC(C)C)c1NC(=O)C(C)(C)C to increase its MR value.,CCOC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CC(C)C)c1NC(=O)C(C)(C)C,118.04220000000007
+89748,Please modify the molecule Nc1ccc(Cl)cc1COc1ccc(C(F)(F)F)cc1 to decrease its MR value.,Nc1ccc(Cl)cc1COc1ccc(C(F)(F)F)cc1,71.64040000000001
+129406,Optimize the molecule CN(C(=O)CSc1ccc(F)cc1F)[C@H]1CCc2ccccc21 to have a higher MR value.,CN(C(=O)CSc1ccc(F)cc1F)[C@H]1CCc2ccccc21,87.35600000000004
+9533,Please modify the molecule Cc1ccc2[nH]c(=O)c(/C=C3\SC(=S)N=C3[O-])cc2c1 to decrease its MR value.,Cc1ccc2[nH]c(=O)c(/C=C3\SC(=S)N=C3[O-])cc2c1,84.9067
+188090,Please optimize the molecule Cn1cccc1C(=O)C(=O)NCc1ccco1 to have a higher MR value.,Cn1cccc1C(=O)C(=O)NCc1ccco1,60.29820000000002
+223223,Modify the molecule CCS[C@H]1CC[C@@]1([O-])CNC(=O)NCc1cn(-c2ccccc2)nn1 to have a lower MR value.,CCS[C@H]1CC[C@@]1([O-])CNC(=O)NCc1cn(-c2ccccc2)nn1,95.48240000000004
+197345,Please optimize the molecule CC[C@H](C)NC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O to have a lower MR value.,CC[C@H](C)NC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O,94.40570000000004
+112959,Please modify the molecule Cc1nc(CC[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cs1 to decrease its MR value.,Cc1nc(CC[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cs1,91.22070000000005
+100805,Please modify the molecule O=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc([N+](=O)[O-])cc1 to decrease its MR value.,O=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc([N+](=O)[O-])cc1,101.14330000000002
+169731,Modify the molecule C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 to decrease its MR value.,C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1,106.02320000000006
+236904,Optimize the molecule COc1cccc(O)c1C[NH+]1CCC[C@@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1 to have a higher MR value.,COc1cccc(O)c1C[NH+]1CCC[C@@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1,110.06820000000003
+174010,Please modify the molecule CC[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2 to decrease its MR value.,CC[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2,68.65140000000002
+39453,Modify the molecule COc1ccc(CN2C(=O)C(=O)c3cc(C)cc(C)c32)cc1OC to have a higher MR value.,COc1ccc(CN2C(=O)C(=O)c3cc(C)cc(C)c32)cc1OC,90.98250000000004
+129256,Please modify the molecule O=C(CCCNC(=O)[C@@H]1COc2ccccc2O1)Nc1nc2ccccc2s1 to decrease its MR value.,O=C(CCCNC(=O)[C@@H]1COc2ccccc2O1)Nc1nc2ccccc2s1,106.84640000000002
+124515,Modify the molecule CCS(=O)(=O)c1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1 to increase its MR value.,CCS(=O)(=O)c1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1,86.01050000000004
+106421,Please modify the molecule C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCc3ccccn3)ccc2S1 to decrease its MR value.,C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCc3ccccn3)ccc2S1,93.27020000000003
+219603,Please modify the molecule O=C(Nc1cccc(F)c1)c1cnn2ncccc12 to increase its MR value.,O=C(Nc1cccc(F)c1)c1cnn2ncccc12,67.34020000000002
+93330,Please optimize the molecule O=C([O-])/C=C\C(=O)Nc1cc(C(F)(F)F)ccc1Cl to have a higher MR value.,O=C([O-])/C=C\C(=O)Nc1cc(C(F)(F)F)ccc1Cl,59.230700000000006
+108438,Modify the molecule COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1OC to have a lower MR value.,COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1OC,101.61640000000006
+64698,Modify the molecule Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@H]1c1ccc(Cl)cc1 to increase its MR value.,Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@H]1c1ccc(Cl)cc1,95.57270000000001
+217051,Optimize the molecule N/C(=N/OCc1ccc(F)cc1Cl)c1cccs1 to have a higher MR value.,N/C(=N/OCc1ccc(F)cc1Cl)c1cccs1,71.24240000000003
+228697,Please modify the molecule Cc1cc(NCc2c[nH+]n(C)c2N)nc(C)n1 to increase its MR value.,Cc1cc(NCc2c[nH+]n(C)c2N)nc(C)n1,65.2138
+229684,Please optimize the molecule CN1CCc2c1[nH+]c1ccccc1c2NC(=O)C[NH+]1CCN(C(=O)c2ccco2)CC1 to have a higher MR value.,CN1CCc2c1[nH+]c1ccccc1c2NC(=O)C[NH+]1CCN(C(=O)c2ccco2)CC1,116.28260000000004
+238119,Modify the molecule N#CC1(NC(=O)c2cc(Br)c[nH]2)CCCC1 to have a lower MR value.,N#CC1(NC(=O)c2cc(Br)c[nH]2)CCCC1,62.77090000000002
+137353,Modify the molecule NC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c1 to have a lower MR value.,NC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c1,86.34230000000004
+36935,Please optimize the molecule O=C1CN(C(=O)c2nn(Cc3ccccc3)c3c2CN(C(=O)[C@H]2CC24CCCCC4)CC3)CCN1 to have a higher MR value.,O=C1CN(C(=O)c2nn(Cc3ccccc3)c3c2CN(C(=O)[C@H]2CC24CCCCC4)CC3)CCN1,129.4302000000001
+10516,Please modify the molecule COc1ccc(Cl)cc1NC(=O)C1CCN(c2cc(-n3ccnc3C)ncn2)CC1 to increase its MR value.,COc1ccc(Cl)cc1NC(=O)C1CCN(c2cc(-n3ccnc3C)ncn2)CC1,115.46170000000002
+221335,Optimize the molecule C#Cc1cc(F)c(NC(=O)[C@H](C)Cc2c(C)noc2C)c(F)c1 to have a higher MR value.,C#Cc1cc(F)c(NC(=O)[C@H](C)Cc2c(C)noc2C)c(F)c1,81.76770000000002
+178093,Optimize the molecule CCOc1ccccc1CCNC(=O)c1ccc(-c2ccccc2)[nH]c1=O to have a higher MR value.,CCOc1ccccc1CCNC(=O)c1ccc(-c2ccccc2)[nH]c1=O,106.14690000000003
+227864,Modify the molecule Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 to decrease its MR value.,Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1,75.30150000000003
+208125,Optimize the molecule CN(C)[C@@H](C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 to have a higher MR value.,CN(C)[C@@H](C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1,81.08240000000006
+171129,Please optimize the molecule Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 to have a higher MR value.,Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1,89.63060000000003
+175885,Please modify the molecule CCc1ccccc1NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 to decrease its MR value.,CCc1ccccc1NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3,117.49440000000006
+206957,Please optimize the molecule CCCNC(=O)OCC1([NH3+])CCCC1 to have a higher MR value.,CCCNC(=O)OCC1([NH3+])CCCC1,53.72880000000003
+211577,Please optimize the molecule Cc1cc(C(=O)N(C)[C@H]2CCSC2)sc1Br to have a higher MR value.,Cc1cc(C(=O)N(C)[C@H]2CCSC2)sc1Br,74.57950000000002
+77486,Modify the molecule CN(C)C(=O)[C@H]1CCC[NH+]1CCS(=O)(=O)c1ccc(Cl)cc1 to increase its MR value.,CN(C)C(=O)[C@H]1CCC[NH+]1CCS(=O)(=O)c1ccc(Cl)cc1,85.91750000000005
+225557,Please optimize the molecule CCN(Cc1ccccn1)C(=O)NCc1cn2ccsc2n1 to have a lower MR value.,CCN(Cc1ccccn1)C(=O)NCc1cn2ccsc2n1,85.62570000000004
+235214,Modify the molecule C[C@H]1CCN(C(=O)c2cc(C#N)cs2)c2cc(Cl)ccc2S1 to have a higher MR value.,C[C@H]1CCN(C(=O)c2cc(C#N)cs2)c2cc(Cl)ccc2S1,92.09850000000003
+118738,Please modify the molecule CC[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 to decrease its MR value.,CC[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1,63.68210000000004
+26153,Optimize the molecule Cc1ccc(CC(=O)Nc2ccccc2Sc2nc(Br)nn2C)cc1 to have a lower MR value.,Cc1ccc(CC(=O)Nc2ccccc2Sc2nc(Br)nn2C)cc1,102.78070000000004
+225597,Please optimize the molecule C[NH+]1CCN(C[C@H](NC(=O)c2ccc3ncccc3c2)c2ccccc2)CC1 to have a lower MR value.,C[NH+]1CCN(C[C@H](NC(=O)c2ccc3ncccc3c2)c2ccccc2)CC1,111.45290000000003
+29525,Modify the molecule CC[NH+](CC)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 to have a lower MR value.,CC[NH+](CC)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21,102.38250000000004
+19635,Please modify the molecule O=C(NCCCn1cccn1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 to increase its MR value.,O=C(NCCCn1cccn1)N[C@H]1C[C@@H]1c1cccc(Cl)c1,85.97640000000004
+6924,Modify the molecule CC1=NCCN1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C to have a higher MR value.,CC1=NCCN1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C,100.57680000000006
+206352,Modify the molecule Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCN(C=O)CC3)n2)n1 to have a higher MR value.,Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCN(C=O)CC3)n2)n1,89.31000000000003
+50867,Modify the molecule Cn1c(CNc2ccccc2OCC(F)F)nnc1-c1ccccc1 to increase its MR value.,Cn1c(CNc2ccccc2OCC(F)F)nnc1-c1ccccc1,91.70670000000001
+192179,Modify the molecule CCOC(=O)c1ccc[n+]([C@H](C)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 to have a lower MR value.,CCOC(=O)c1ccc[n+]([C@H](C)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1,94.04060000000005
+51573,Optimize the molecule CN(C(=O)c1c[nH]c2nccc(Cl)c12)[C@@H]1CCC[C@@H]1S(C)(=O)=O to have a lower MR value.,CN(C(=O)c1c[nH]c2nccc(Cl)c12)[C@@H]1CCC[C@@H]1S(C)(=O)=O,89.46800000000005
+48926,Please modify the molecule Cc1sc2nc(S[C@H](C)C(=O)Nc3ccccc3C#N)n(C)c(=O)c2c1C to decrease its MR value.,Cc1sc2nc(S[C@H](C)C(=O)Nc3ccccc3C#N)n(C)c(=O)c2c1C,109.44070000000005
+212004,Please optimize the molecule OCc1cc(Cl)ccc1OC[C@@H]1CCCO1 to have a higher MR value.,OCc1cc(Cl)ccc1OC[C@@H]1CCCO1,61.84380000000004
+220416,Please modify the molecule COc1ccc(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)c(Cl)c1OC to decrease its MR value.,COc1ccc(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)c(Cl)c1OC,103.38170000000005
+198374,Modify the molecule C[C@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)c1nc[nH]n1 to increase its MR value.,C[C@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)c1nc[nH]n1,74.9011
+58378,Modify the molecule C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 to have a higher MR value.,C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1,99.66310000000007
+9988,Please modify the molecule COc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1C to decrease its MR value.,COc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1C,77.89880000000004
+155194,Optimize the molecule O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1 to have a higher MR value.,O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1,112.12670000000003
+166214,Please modify the molecule CCOC(=O)NNC(=O)c1cc2c(C)nn(C)c2nc1C to increase its MR value.,CCOC(=O)NNC(=O)c1cc2c(C)nn(C)c2nc1C,75.60690000000001
+25644,Please optimize the molecule CCC[C@H]1CCC[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CC1 to have a higher MR value.,CCC[C@H]1CCC[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CC1,79.30040000000007
+55649,Modify the molecule O=C(CCCC(=O)c1ccccc1)Nc1ccc(Cl)cn1 to have a lower MR value.,O=C(CCCC(=O)c1ccccc1)Nc1ccc(Cl)cn1,82.50020000000004
+182127,Optimize the molecule COCc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1ccc(F)cc1 to have a higher MR value.,COCc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1ccc(F)cc1,92.17750000000004
+149449,Optimize the molecule Cn1cnnc1C1CC[NH+](Cc2ccnn2C)CC1 to have a higher MR value.,Cn1cnnc1C1CC[NH+](Cc2ccnn2C)CC1,70.58670000000004
+79144,Optimize the molecule Cn1ccc(C(=O)N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 to have a higher MR value.,Cn1ccc(C(=O)N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1,94.34020000000004
+5657,Optimize the molecule O=C(Cn1ccc(=O)[nH]c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 to have a lower MR value.,O=C(Cn1ccc(=O)[nH]c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1,116.37639999999999
+148247,Please optimize the molecule CC[C@H]1C[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CCS1 to have a higher MR value.,CC[C@H]1C[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CCS1,92.63170000000007
+235551,Optimize the molecule C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C=C1CCSCC1 to have a lower MR value.,C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C=C1CCSCC1,87.39470000000004
+95333,Optimize the molecule COC(=O)/C(Br)=C/c1cccc(/C=C(\Br)C(=O)OC)c1 to have a lower MR value.,COC(=O)/C(Br)=C/c1cccc(/C=C(\Br)C(=O)OC)c1,84.28200000000001
+226266,Please modify the molecule C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(C(N)=O)cc1 to increase its MR value.,C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(C(N)=O)cc1,85.71860000000004
+148083,Optimize the molecule CCn1cc([C@H]2C/C(=C3\C(=O)N=C([O-])N(C)C3=O)NN2C(C)=O)c2ccccc21 to have a higher MR value.,CCn1cc([C@H]2C/C(=C3\C(=O)N=C([O-])N(C)C3=O)NN2C(C)=O)c2ccccc21,102.86370000000001
+130043,Optimize the molecule COc1ccc(-n2ncc(C(=O)NC[C@H]3CCN(c4ccccc4)C3)c2C(F)(F)F)nn1 to have a lower MR value.,COc1ccc(-n2ncc(C(=O)NC[C@H]3CCN(c4ccccc4)C3)c2C(F)(F)F)nn1,109.80320000000003
+138657,Please modify the molecule O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@@H](n2cc(Br)cn2)C1 to increase its MR value.,O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@@H](n2cc(Br)cn2)C1,70.11740000000003
+249091,Please optimize the molecule O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1 to have a lower MR value.,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,96.05410000000003
+140173,Please modify the molecule COc1ccc2c(c1)[C@H](N1C[C@@H]([NH3+])C[C@@H](C)C1)CC2 to increase its MR value.,COc1ccc2c(c1)[C@H](N1C[C@@H]([NH3+])C[C@@H](C)C1)CC2,76.08610000000004
+137997,Please optimize the molecule Cc1nc(CCNC(=O)Nc2cncc3ccccc23)cs1 to have a lower MR value.,Cc1nc(CCNC(=O)Nc2cncc3ccccc23)cs1,89.31940000000003
+22327,Modify the molecule COc1ccc2nc(NC(=O)N[C@H](C)c3cc(OC)c(OC)c(OC)c3)sc2c1 to decrease its MR value.,COc1ccc2nc(NC(=O)N[C@H](C)c3cc(OC)c(OC)c(OC)c3)sc2c1,112.83940000000005
+18466,Please optimize the molecule Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 to have a lower MR value.,Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1,99.97240000000004
+246920,Please optimize the molecule CN(C)C(=O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 to have a lower MR value.,CN(C)C(=O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1,93.71670000000006
+37071,Modify the molecule NC(=O)C[NH+]1CCC[C@H](C(=O)NC2(c3cc(F)ccc3F)CC2)C1 to increase its MR value.,NC(=O)C[NH+]1CCC[C@H](C(=O)NC2(c3cc(F)ccc3F)CC2)C1,82.89480000000002
+1644,Optimize the molecule C[C@@H](N[C@H]1CCCSc2ccccc21)c1nc(-c2ccncc2)cs1 to have a lower MR value.,C[C@@H](N[C@H]1CCCSc2ccccc21)c1nc(-c2ccncc2)cs1,106.03670000000002
+42970,Please modify the molecule COc1cccc(C(=O)N[C@@H](C)CCc2ccc(F)c(F)c2)n1 to decrease its MR value.,COc1cccc(C(=O)N[C@@H](C)CCc2ccc(F)c(F)c2)n1,82.39620000000002
+139741,Modify the molecule Cc1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1Cl to decrease its MR value.,Cc1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1Cl,86.05830000000003
+149229,Optimize the molecule COc1cc(/C=N/Nc2cc(C)nc3ccccc23)ccc1O to have a lower MR value.,COc1cc(/C=N/Nc2cc(C)nc3ccccc23)ccc1O,92.35550000000002
+195256,Please optimize the molecule CC(=O)Nc1ccc(NC(=S)Nc2ccc(C)cc2)cc1 to have a lower MR value.,CC(=O)Nc1ccc(NC(=S)Nc2ccc(C)cc2)cc1,91.7681
+79451,Please modify the molecule O=c1c2ccsc2ncn1[C@@H](CO)c1ccccc1 to decrease its MR value.,O=c1c2ccsc2ncn1[C@@H](CO)c1ccccc1,75.54680000000002
+99523,Please modify the molecule CC1CCC([C@@H]([NH3+])[C@@]2(C)CCCO2)CC1 to increase its MR value.,CC1CCC([C@@H]([NH3+])[C@@]2(C)CCCO2)CC1,61.38910000000004
+83059,Optimize the molecule CC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1ncc(Cl)n1C to have a higher MR value.,CC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1ncc(Cl)n1C,78.19950000000004
+47930,Please optimize the molecule C[C@H]1Sc2ccc(C(=O)OCCc3cccnc3)cc2NC1=O to have a higher MR value.,C[C@H]1Sc2ccc(C(=O)OCCc3cccnc3)cc2NC1=O,88.61420000000004
+24815,Please optimize the molecule CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](C2CCCC2)CC1 to have a lower MR value.,CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](C2CCCC2)CC1,102.34870000000006
+219807,Modify the molecule COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1 to have a higher MR value.,COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1,83.82300000000005
+124436,Modify the molecule CCCNC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 to have a higher MR value.,CCCNC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1,95.28370000000004
+74522,Optimize the molecule C[C@@H]1CCN(C(=O)Cc2ccon2)[C@H](C)C1 to have a higher MR value.,C[C@@H]1CCN(C(=O)Cc2ccon2)[C@H](C)C1,59.780000000000044
+49887,Optimize the molecule CCOC(=O)[C@]1(NC(C)C)CC[C@@H](N2CCOC[C@@H]2C)C1 to have a higher MR value.,CCOC(=O)[C@]1(NC(C)C)CC[C@@H](N2CCOC[C@@H]2C)C1,82.26170000000006
+41657,Please optimize the molecule CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1 to have a lower MR value.,CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1,81.62400000000004
+194501,Please optimize the molecule COc1cccc(CCNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)c1 to have a lower MR value.,COc1cccc(CCNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)c1,92.58890000000004
+146317,Please modify the molecule CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)Cn2cccn2)n1 to increase its MR value.,CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)Cn2cccn2)n1,112.72000000000004
+150048,Please modify the molecule CN(C)C(=O)c1ccc(N[C@@H]2CCC[C@H]2C(=O)[O-])nc1 to increase its MR value.,CN(C)C(=O)c1ccc(N[C@@H]2CCC[C@H]2C(=O)[O-])nc1,72.01320000000003
+134285,Modify the molecule O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cc(F)cc(F)c1 to increase its MR value.,O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cc(F)cc(F)c1,95.98620000000004
+188376,Please optimize the molecule O=C(Cn1cnc2nc3c(cc2c1=O)CCCC3)Nc1cccc(Cl)c1 to have a lower MR value.,O=C(Cn1cnc2nc3c(cc2c1=O)CCCC3)Nc1cccc(Cl)c1,100.52170000000001
+69739,Please optimize the molecule CCc1ccc(N(CC)C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1 to have a lower MR value.,CCc1ccc(N(CC)C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1,126.89300000000003
+120947,Please modify the molecule C#CCOc1ccc(CCNC(=O)CN2CCCOC2=O)cc1 to increase its MR value.,C#CCOc1ccc(CCNC(=O)CN2CCCOC2=O)cc1,85.02170000000004
+129205,Modify the molecule COc1ccc(OC)c(-c2ccc(C(=O)NCc3cccc(F)c3)c(N3CC[NH+](C)CC3)n2)c1 to have a lower MR value.,COc1ccc(OC)c(-c2ccc(C(=O)NCc3cccc(F)c3)c(N3CC[NH+](C)CC3)n2)c1,129.18090000000004
+119899,Please modify the molecule C[C@H]1CC[C@@H](C)N(C(=O)c2cc(C(C)(C)C)nn2C)C1 to increase its MR value.,C[C@H]1CC[C@@H](C)N(C(=O)c2cc(C(C)(C)C)nn2C)C1,80.80450000000005
+141086,Modify the molecule O=C(CCc1ccccc1O)NNC(=O)COc1ccc(Cl)cc1 to have a lower MR value.,O=C(CCc1ccccc1O)NNC(=O)COc1ccc(Cl)cc1,89.66020000000002
+168938,Please optimize the molecule CC1CCC(C[NH3+])([NH+]2CCCC2)CC1 to have a lower MR value.,CC1CCC(C[NH3+])([NH+]2CCCC2)CC1,58.04880000000004
+221099,Please modify the molecule Cc1nc(N(C)C)sc1CNc1ccc(F)cc1OCC(F)F to increase its MR value.,Cc1nc(N(C)C)sc1CNc1ccc(F)cc1OCC(F)F,86.40370000000004
+160594,Modify the molecule C[C@H](c1ccc(OC(F)F)cc1)[NH+](C)Cc1cnn(C)c1 to increase its MR value.,C[C@H](c1ccc(OC(F)F)cc1)[NH+](C)Cc1cnn(C)c1,75.28770000000004
+101236,Optimize the molecule C[C@H]1C[C@H](NC(=O)Nc2cnn(C(C)(C)C)c2)C[NH+]1Cc1ccccc1 to have a lower MR value.,C[C@H]1C[C@H](NC(=O)Nc2cnn(C(C)(C)C)c2)C[NH+]1Cc1ccccc1,103.22010000000004
+46980,Modify the molecule O=C(Oc1ccccc1Br)C1CCC1 to decrease its MR value.,O=C(Oc1ccccc1Br)C1CCC1,57.11800000000003
+132014,Modify the molecule Fc1ccccc1-n1ncc2c(C(F)(F)F)cc(-c3cccs3)nc21 to decrease its MR value.,Fc1ccccc1-n1ncc2c(C(F)(F)F)cc(-c3cccs3)nc21,87.13800000000002
+199045,Please modify the molecule COC(=O)[C@@H](C)SCC(=O)Nc1ccc(C(F)(F)F)cc1 to increase its MR value.,COC(=O)[C@@H](C)SCC(=O)Nc1ccc(C(F)(F)F)cc1,74.00970000000002
+48893,Optimize the molecule CC[C@@](C)(CO)NC(=O)Nc1cc(F)c(OC)cc1OC to have a lower MR value.,CC[C@@](C)(CO)NC(=O)Nc1cc(F)c(OC)cc1OC,77.44020000000003
+170068,Please modify the molecule CC[NH+](CC)CCCn1cc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C to decrease its MR value.,CC[NH+](CC)CCCn1cc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C,114.39470000000009
+93734,Please modify the molecule N#Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1 to decrease its MR value.,N#Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1,79.04070000000002
+233447,Modify the molecule Cn1cc([C@H]2C[C@H]2C(=O)N2CCC(CN3CCOCC3)CC2)cn1 to have a higher MR value.,Cn1cc([C@H]2C[C@H]2C(=O)N2CCC(CN3CCOCC3)CC2)cn1,90.61900000000006
+29078,Please modify the molecule Cc1cc(=O)c(C(=O)Nc2ccc(Cl)nn2)nn1-c1ccccc1F to increase its MR value.,Cc1cc(=O)c(C(=O)Nc2ccc(Cl)nn2)nn1-c1ccccc1F,89.52420000000002
+147937,Modify the molecule Cc1cccc([C@H](C)CNC(=O)c2c(F)cccc2F)c1 to have a lower MR value.,Cc1cccc([C@H](C)CNC(=O)c2c(F)cccc2F)c1,78.28520000000002
+21237,Please optimize the molecule CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnnn3-c3ccccc3)c2C#N)C1 to have a higher MR value.,CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnnn3-c3ccccc3)c2C#N)C1,122.5117
+111994,Modify the molecule COc1cccc([C@@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)[NH+]2CCCC2)c1 to have a lower MR value.,COc1cccc([C@@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)[NH+]2CCCC2)c1,102.26420000000005
+230001,Modify the molecule Cc1cc(NC(=O)C(=O)N(C)Cc2c(C)noc2C)c2ncccc2c1 to increase its MR value.,Cc1cc(NC(=O)C(=O)N(C)Cc2c(C)noc2C)c2ncccc2c1,97.56070000000003
+140435,Modify the molecule CC(C)Cn1c(=O)c(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc2ccc(F)cc21 to decrease its MR value.,CC(C)Cn1c(=O)c(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc2ccc(F)cc21,95.69220000000004
+182554,Please optimize the molecule CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)s1 to have a higher MR value.,CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)s1,88.47820000000004
+82383,Modify the molecule CCSC[C@@H](C)N(C)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 to increase its MR value.,CCSC[C@@H](C)N(C)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1,96.32470000000002
+79202,Optimize the molecule Nc1ccc([C@@H]2CCC[NH2+]2)cc1OC(F)(F)F to have a higher MR value.,Nc1ccc([C@@H]2CCC[NH2+]2)cc1OC(F)(F)F,56.30480000000001
+204170,Modify the molecule CC(C)(C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br to have a higher MR value.,CC(C)(C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br,72.73440000000002
+229922,Please modify the molecule O=S(=O)(NCCCn1ccc2ccccc21)c1cccc(Br)c1 to decrease its MR value.,O=S(=O)(NCCCn1ccc2ccccc21)c1cccc(Br)c1,95.88550000000005
+221536,Please modify the molecule NC(=O)c1c(F)cc(Br)cc1N1C[C@@H]2CC=CC[C@H]2C1 to decrease its MR value.,NC(=O)c1c(F)cc(Br)cc1N1C[C@@H]2CC=CC[C@H]2C1,80.18490000000003
+64353,Modify the molecule CC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 to have a lower MR value.,CC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1,88.87620000000005
+8378,Modify the molecule C=CCNC(=O)N(Cc1ccsc1)C1CC1 to decrease its MR value.,C=CCNC(=O)N(Cc1ccsc1)C1CC1,66.47970000000004
+225596,Please optimize the molecule O=C(Nc1cc(F)ccc1F)c1cnn(-c2ccccc2Cl)c1 to have a lower MR value.,O=C(Nc1cc(F)ccc1F)c1cnn(-c2ccccc2Cl)c1,82.88520000000003
+235331,Modify the molecule O[C@]1(C(F)(F)F)CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 to decrease its MR value.,O[C@]1(C(F)(F)F)CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1,79.05620000000003
+98388,Modify the molecule CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)C(=O)OC to increase its MR value.,CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)C(=O)OC,56.096100000000035
+207573,Modify the molecule CCOC(=O)c1ccccc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O to increase its MR value.,CCOC(=O)c1ccccc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O,102.04120000000005
+66797,Modify the molecule CC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1 to increase its MR value.,CC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1,86.73150000000004
+101719,Please modify the molecule CC(C)[C@H](NC(=O)CN1CC[NH+](C)CC1)c1ccc2c(c1)OCCCO2 to increase its MR value.,CC(C)[C@H](NC(=O)CN1CC[NH+](C)CC1)c1ccc2c(c1)OCCCO2,100.83140000000007
+28520,Optimize the molecule CS(=O)(=O)c1ccccc1N1CCC(OCc2ccc(F)cc2)CC1 to have a higher MR value.,CS(=O)(=O)c1ccccc1N1CCC(OCc2ccc(F)cc2)CC1,95.97580000000005
+27154,Please optimize the molecule N#Cc1cccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 to have a lower MR value.,N#Cc1cccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1,87.72520000000004
+98932,Please optimize the molecule Cc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1 to have a lower MR value.,Cc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1,100.09570000000001
+100431,Optimize the molecule CCS(=O)(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 to have a lower MR value.,CCS(=O)(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1,89.09280000000004
+154480,Modify the molecule CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 to decrease its MR value.,CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1,100.34270000000005
+173904,Optimize the molecule N#C/C(=C/c1ccco1)c1nc([O-])c2ccccc2n1 to have a higher MR value.,N#C/C(=C/c1ccco1)c1nc([O-])c2ccccc2n1,71.17600000000003
+144557,Modify the molecule CN(C[C@H](O)C1CC1)C(=O)c1cc(C(C)(C)C)nn1C to increase its MR value.,CN(C[C@H](O)C1CC1)C(=O)c1cc(C(C)(C)C)nn1C,77.59930000000004
+154189,Please optimize the molecule Cc1cc2ncn([C@H]3CC[C@@]([NH3+])(CO)C3)c2cc1C to have a higher MR value.,Cc1cc2ncn([C@H]3CC[C@@]([NH3+])(CO)C3)c2cc1C,74.79990000000004
+101563,Modify the molecule CC[C@@H](C(=O)NCc1cnc(SC)n1C)n1cccn1 to have a higher MR value.,CC[C@@H](C(=O)NCc1cnc(SC)n1C)n1cccn1,78.39070000000004
+100039,Modify the molecule COC(=O)c1cccc(NC(=O)C[C@H]2C[NH2+]CCO2)c1C to decrease its MR value.,COC(=O)c1cccc(NC(=O)C[C@H]2C[NH2+]CCO2)c1C,77.16460000000004
+52061,Please modify the molecule CC(C)c1cc(C(=O)NC[C@@H]2Cc3cccc(-c4ccncc4)c3O2)[nH]n1 to increase its MR value.,CC(C)c1cc(C(=O)NC[C@@H]2Cc3cccc(-c4ccncc4)c3O2)[nH]n1,102.80290000000002
+36354,Please optimize the molecule COc1cccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)c1 to have a lower MR value.,COc1cccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)c1,99.92720000000003
+17352,Please modify the molecule CN1CCO[C@H](C[NH2+]CC2CC(Cl)C2)C1 to decrease its MR value.,CN1CCO[C@H](C[NH2+]CC2CC(Cl)C2)C1,61.261400000000044
+109026,Please modify the molecule C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccncc1Cl to decrease its MR value.,C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccncc1Cl,99.86190000000005
+204651,Modify the molecule COc1ccc2oc(CNC(=O)[C@H](C)n3cc[nH+]c3C(C)C)nc2c1 to have a higher MR value.,COc1ccc2oc(CNC(=O)[C@H](C)n3cc[nH+]c3C(C)C)nc2c1,92.19540000000003
+101818,Optimize the molecule CSCCCN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O to have a higher MR value.,CSCCCN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O,84.73770000000003
+115991,Modify the molecule Fc1ccc(C[NH+]2CCC[C@@H]2c2nnc(-c3ccccn3)o2)cc1F to have a lower MR value.,Fc1ccc(C[NH+]2CCC[C@@H]2c2nnc(-c3ccccn3)o2)cc1F,85.39570000000003
+104390,Please optimize the molecule CCc1onc(C)c1NC(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 to have a lower MR value.,CCc1onc(C)c1NC(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1,96.78110000000005
+223398,Modify the molecule Cc1ccc([C@@H]2CSCCN2C(=O)C2CCCCCC2)o1 to decrease its MR value.,Cc1ccc([C@@H]2CSCCN2C(=O)C2CCCCCC2)o1,86.41600000000005
+86805,Modify the molecule Cn1c(C[NH+](C)CCC(=O)NC2CCCCC2)nc2ccccc21 to have a lower MR value.,Cn1c(C[NH+](C)CCC(=O)NC2CCCCC2)nc2ccccc21,95.80440000000006
+43975,Please modify the molecule O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(OC2CCCCC2)cc1 to increase its MR value.,O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(OC2CCCCC2)cc1,88.46800000000006
+236415,Modify the molecule COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 to have a higher MR value.,COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2,89.10620000000004
+142725,Please optimize the molecule CC[C@@](C)([C@@H](N)c1cc(C)cc(F)c1)[NH+](C)C to have a lower MR value.,CC[C@@](C)([C@@H](N)c1cc(C)cc(F)c1)[NH+](C)C,69.57210000000003
+201500,Optimize the molecule O=C(CCNC(=O)c1cc2scnc2[nH]1)Nc1cccc(Cl)c1 to have a lower MR value.,O=C(CCNC(=O)c1cc2scnc2[nH]1)Nc1cccc(Cl)c1,91.0026
+75924,Please optimize the molecule O=C(c1cccs1)[C@H]1CCCN(C(=O)c2cn(Cc3cccc4ccccc34)nn2)C1 to have a higher MR value.,O=C(c1cccs1)[C@H]1CCCN(C(=O)c2cn(Cc3cccc4ccccc34)nn2)C1,120.34900000000002
+208678,Please optimize the molecule O=C(CSc1ccccc1O)N[C@H]1CCc2ccccc21 to have a lower MR value.,O=C(CSc1ccccc1O)N[C@H]1CCc2ccccc21,84.47750000000003
+22836,Please modify the molecule Cc1cc(NCCCSc2nccs2)ncc1[N+](=O)[O-] to decrease its MR value.,Cc1cc(NCCCSc2nccs2)ncc1[N+](=O)[O-],81.57310000000003
+86755,Modify the molecule CCC1(CC)[C@@H](NC(=O)Cc2c(C)noc2C)[C@H](C)[C@@H]1OC to have a higher MR value.,CCC1(CC)[C@@H](NC(=O)Cc2c(C)noc2C)[C@H](C)[C@@H]1OC,84.58770000000005
+38835,Optimize the molecule Cc1cc(N2CCCC2)ccc1NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 to have a lower MR value.,Cc1cc(N2CCCC2)ccc1NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1,128.82650000000004
+234722,Modify the molecule Clc1ccccc1CSc1nncn2c1cc1occc12 to increase its MR value.,Clc1ccccc1CSc1nncn2c1cc1occc12,83.772
+224353,Modify the molecule [S-]c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)OCO2 to decrease its MR value.,[S-]c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)OCO2,78.34600000000003
+101976,Modify the molecule Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H]3C[C@H]3C3CCCCC3)c2)n[nH]1 to have a lower MR value.,Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H]3C[C@H]3C3CCCCC3)c2)n[nH]1,101.79810000000003
+151585,Optimize the molecule C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(F)cc1 to have a lower MR value.,C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(F)cc1,113.46470000000004
+49744,Modify the molecule CCc1nnc(-c2cn(CC(=O)Nc3c(C)cc(C)cc3C)c3ccccc23)o1 to have a higher MR value.,CCc1nnc(-c2cn(CC(=O)Nc3c(C)cc(C)cc3C)c3ccccc23)o1,113.89070000000004
+75222,Please modify the molecule CC[C@](C)([C@H](Cc1ccccc1Cl)[NH2+]C)N1CCOCC1 to decrease its MR value.,CC[C@](C)([C@H](Cc1ccccc1Cl)[NH2+]C)N1CCOCC1,87.88140000000006
+104734,Modify the molecule CC[C@H](C)[C@H](NC(=O)CN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S)C(=O)[O-] to have a higher MR value.,CC[C@H](C)[C@H](NC(=O)CN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S)C(=O)[O-],107.45070000000004
+132365,Modify the molecule CCC(=O)Nc1ccc(-c2nc3ccc(OC(=O)CC)cc3c(=O)o2)cc1 to increase its MR value.,CCC(=O)Nc1ccc(-c2nc3ccc(OC(=O)CC)cc3c(=O)o2)cc1,100.56170000000003
+84795,Please modify the molecule O=C(c1cccnc1OCC(F)F)N1CCc2c([nH]c3ccccc23)C1 to increase its MR value.,O=C(c1cccnc1OCC(F)F)N1CCc2c([nH]c3ccccc23)C1,92.47920000000002
+91793,Please optimize the molecule COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C to have a higher MR value.,COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C,115.21330000000002
+179607,Modify the molecule C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1c1c(F)cc(Br)cc1F to increase its MR value.,C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1c1c(F)cc(Br)cc1F,75.74100000000001
+140501,Optimize the molecule Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(-n2cnnn2)c1 to have a lower MR value.,Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(-n2cnnn2)c1,94.06270000000002
+249194,Modify the molecule Cc1ccc2c(c1)c(C[NH2+][C@H](C)Cn1ccnc1)nn2C to decrease its MR value.,Cc1ccc2c(c1)c(C[NH2+][C@H](C)Cn1ccnc1)nn2C,82.76940000000003
+104701,Please modify the molecule C[NH+](C)[C@@H]1CC[C@@H](NCc2ccc(Cl)nc2)C1 to increase its MR value.,C[NH+](C)[C@@H]1CC[C@@H](NCc2ccc(Cl)nc2)C1,70.32440000000004
+79059,Please optimize the molecule O=C(N[C@H](c1nccs1)C1CC1)N1CC[C@@H]2CCCC[C@@H]21 to have a higher MR value.,O=C(N[C@H](c1nccs1)C1CC1)N1CC[C@@H]2CCCC[C@@H]21,83.17970000000004
+194510,Please optimize the molecule C[C@@H](C(=O)N1CCCC1)[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1 to have a lower MR value.,C[C@@H](C(=O)N1CCCC1)[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1,90.53950000000005
+151781,Modify the molecule CCCc1nc(C)c(C(=O)NNc2cc(C#N)cc(Cl)n2)s1 to decrease its MR value.,CCCc1nc(C)c(C(=O)NNc2cc(C#N)cc(Cl)n2)s1,85.89690000000003
+210322,Modify the molecule Cc1ccc(C)c(Oc2cccc(F)c2C(=O)[O-])c1 to increase its MR value.,Cc1ccc(C)c(Oc2cccc(F)c2C(=O)[O-])c1,66.72050000000002
+104389,Please modify the molecule Cc1c(N)cccc1NC(=O)CN1C(=O)[C@H](C)[C@@H](C)C1=O to decrease its MR value.,Cc1c(N)cccc1NC(=O)CN1C(=O)[C@H](C)[C@@H](C)C1=O,79.26910000000002
+210757,Modify the molecule C[C@@H](O)C(=O)N/N=C\c1c(F)cccc1Cl to decrease its MR value.,C[C@@H](O)C(=O)N/N=C\c1c(F)cccc1Cl,58.82750000000003
+181890,Please optimize the molecule CC(C)(C)OC(=O)n1ncc2ccc(NC(=O)c3ccccc3N)cc21 to have a higher MR value.,CC(C)(C)OC(=O)n1ncc2ccc(NC(=O)c3ccccc3N)cc21,100.17260000000002
+180811,Modify the molecule O=C(CC1C[C@@H]2CC[C@H](C1)[NH2+]2)N1CCCC[C@H]1CCO to have a higher MR value.,O=C(CC1C[C@@H]2CC[C@H](C1)[NH2+]2)N1CCCC[C@H]1CCO,77.13120000000005
+137318,Modify the molecule CCOc1cc(C#N)ccc1OCC(=O)Nc1c(Cl)cccc1C(F)(F)F to have a higher MR value.,CCOc1cc(C#N)ccc1OCC(=O)Nc1c(Cl)cccc1C(F)(F)F,92.90470000000003
+76654,Modify the molecule COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 to have a higher MR value.,COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1,105.06650000000005
+174850,Modify the molecule Cc1oc2cc3c(cc2c1C)[C@H](C)[C@@H](CC(=O)N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-])C(=O)O3 to increase its MR value.,Cc1oc2cc3c(cc2c1C)[C@H](C)[C@@H](CC(=O)N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-])C(=O)O3,123.43240000000004
+209232,Please optimize the molecule C=CCOc1c(C[NH+](C)[C@@H]2CCCc3nc(C)sc32)c(C)nn1C to have a higher MR value.,C=CCOc1c(C[NH+](C)[C@@H]2CCCc3nc(C)sc32)c(C)nn1C,96.75770000000006
+17900,Please optimize the molecule COc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 to have a lower MR value.,COc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1,103.80680000000001
+148932,Modify the molecule COc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1Cl to have a lower MR value.,COc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1Cl,116.07150000000004
+209319,Optimize the molecule C[C@H](Cc1ccccn1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 to have a higher MR value.,C[C@H](Cc1ccccn1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1,120.62610000000006
+83618,Optimize the molecule O=C(CCn1c(CO)nc2ccccc21)NC(=O)NC12CC3CC(CC(C3)C1)C2 to have a higher MR value.,O=C(CCn1c(CO)nc2ccccc21)NC(=O)NC12CC3CC(CC(C3)C1)C2,107.85020000000007
+162854,Please modify the molecule Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccc(Br)cc2)C[C@@H]2CCCO2)cc1 to decrease its MR value.,Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccc(Br)cc2)C[C@@H]2CCCO2)cc1,109.32580000000003
+7959,Please optimize the molecule N#Cc1ccc(Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] to have a higher MR value.,N#Cc1ccc(Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-],77.55610000000001
+60555,Please modify the molecule C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccsc1 to increase its MR value.,C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccsc1,78.21760000000003
+146633,Modify the molecule COc1ccc(Br)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1 to increase its MR value.,COc1ccc(Br)c(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)c1,79.82390000000002
+195914,Modify the molecule CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C)C1 to increase its MR value.,CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C)C1,66.89170000000004
+135433,Optimize the molecule O=C(CN1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1)Nc1ccc(F)cc1 to have a lower MR value.,O=C(CN1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1)Nc1ccc(F)cc1,93.78940000000003
+43099,Modify the molecule O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCCN1CCOCC1 to have a higher MR value.,O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCCN1CCOCC1,112.24040000000004
+40145,Modify the molecule O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(I)cc1 to increase its MR value.,O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(I)cc1,105.8264
+32600,Modify the molecule Cc1ccc(N/C([S-])=[NH+]\Cc2cccs2)cc1 to decrease its MR value.,Cc1ccc(N/C([S-])=[NH+]\Cc2cccs2)cc1,76.15940000000003
+50934,Modify the molecule COCCNS(=O)(=O)c1cc(OC)c(C)cc1OC to have a higher MR value.,COCCNS(=O)(=O)c1cc(OC)c(C)cc1OC,71.34750000000004
+59248,Modify the molecule CCN(C(=O)[C@@H](C)[NH+]1[C@@H](C)CC[C@H]1C)C1CCC([NH3+])CC1 to have a lower MR value.,CCN(C(=O)[C@@H](C)[NH+]1[C@@H](C)CC[C@H]1C)C1CCC([NH3+])CC1,84.90180000000007
+64599,Please modify the molecule CCN[C@@]1(C#N)CCC[C@H]([NH+]2CCCCC[C@@H]2C)C1 to decrease its MR value.,CCN[C@@]1(C#N)CCC[C@H]([NH+]2CCCCC[C@@H]2C)C1,78.03640000000006
+10040,Modify the molecule Nc1nc(Oc2ccc(F)cc2Br)ccc1[N+](=O)[O-] to decrease its MR value.,Nc1nc(Oc2ccc(F)cc2Br)ccc1[N+](=O)[O-],69.47780000000002
+177204,Modify the molecule CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 to decrease its MR value.,CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1,98.42040000000006
+44180,Modify the molecule C/[NH+]=C(/NCc1ncnn1C)N[C@@H](C)c1cccc(-n2cccn2)c1 to have a lower MR value.,C/[NH+]=C(/NCc1ncnn1C)N[C@@H](C)c1cccc(-n2cccn2)c1,94.85110000000003
+125609,Optimize the molecule CCCO[C@@H]1CCC[NH+](CC2(CS)CCCCC2)C1 to have a lower MR value.,CCCO[C@@H]1CCC[NH+](CC2(CS)CCCCC2)C1,84.19970000000006
+15389,Modify the molecule O=[N+]([O-])c1ccc(C2=C[C@@H](c3cccc([N+](=O)[O-])c3)[NH+]=N2)cc1 to increase its MR value.,O=[N+]([O-])c1ccc(C2=C[C@@H](c3cccc([N+](=O)[O-])c3)[NH+]=N2)cc1,80.3015
+3147,Optimize the molecule COCCc1cc(NC[C@@H]2CCC[C@H](C)C2)n(C)n1 to have a lower MR value.,COCCc1cc(NC[C@@H]2CCC[C@H](C)C2)n(C)n1,78.39970000000005
+234920,Modify the molecule CCCCNC(=O)Cn1cc(Br)cn1 to increase its MR value.,CCCCNC(=O)Cn1cc(Br)cn1,57.844700000000024
+245883,Please optimize the molecule CCc1ccc(-n2nc3c(cnc4ccc(C(=O)N[C@H](C)c5ccc(OC)c(OC)c5)cc43)c2O)cc1 to have a higher MR value.,CCc1ccc(-n2nc3c(cnc4ccc(C(=O)N[C@H](C)c5ccc(OC)c(OC)c5)cc43)c2O)cc1,142.84099999999984
+144105,Please optimize the molecule Brc1ccc(C[C@H]2CCC[NH2+]2)cc1 to have a higher MR value.,Brc1ccc(C[C@H]2CCC[NH2+]2)cc1,57.660400000000024
+142197,Modify the molecule CCCCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2F)s1 to decrease its MR value.,CCCCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2F)s1,79.86280000000004
+211731,Modify the molecule CC[NH+](CCCc1nc2ccccc2o1)C[C@H]1CCCO1 to decrease its MR value.,CC[NH+](CCCc1nc2ccccc2o1)C[C@H]1CCCO1,82.54170000000005
+167840,Please optimize the molecule Cn1nccc1C(=O)Nc1ccc2c(c1)nc(CCc1ccccc1)n2C to have a lower MR value.,Cn1nccc1C(=O)Nc1ccc2c(c1)nc(CCc1ccccc1)n2C,105.72520000000003
+208526,Modify the molecule CCOc1ccc(NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1CCl to have a lower MR value.,CCOc1ccc(NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1CCl,84.59570000000005
+175438,Optimize the molecule COc1ccc(C[NH+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c(OC)c1 to have a higher MR value.,COc1ccc(C[NH+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c(OC)c1,104.27440000000004
+62895,Please optimize the molecule Cc1ncsc1CN[C@@H](C)c1cc(F)cc(F)c1 to have a higher MR value.,Cc1ncsc1CN[C@@H](C)c1cc(F)cc(F)c1,68.46370000000002
+221385,Modify the molecule C[C@@H]([C@H](C)S(C)(=O)=O)[NH+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 to have a lower MR value.,C[C@@H]([C@H](C)S(C)(=O)=O)[NH+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1,92.92450000000002
+207101,Modify the molecule C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)C1 to decrease its MR value.,C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)C1,99.00090000000004
+219197,Optimize the molecule COc1ccc(CN2CCN(c3ncccn3)CC2)cc1F to have a lower MR value.,COc1ccc(CN2CCN(c3ncccn3)CC2)cc1F,82.47400000000003
+2121,Modify the molecule COCCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1 to decrease its MR value.,COCCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1,94.30520000000003
+98346,Optimize the molecule Cc1cc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 to have a lower MR value.,Cc1cc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(Cl)cc1)C3,84.56850000000003
+42804,Modify the molecule O=C(CSc1ccc(Br)cc1)NC[C@H]1COc2ccccc2O1 to increase its MR value.,O=C(CSc1ccc(Br)cc1)NC[C@H]1COc2ccccc2O1,94.22870000000003
+160680,Optimize the molecule c1ccc(SCCN2CC[NH2+][C@H](C3CC3)C2)cc1 to have a higher MR value.,c1ccc(SCCN2CC[NH2+][C@H](C3CC3)C2)cc1,76.91040000000004
+157518,Please modify the molecule COCCCNC(=O)[C@H](C)N1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 to increase its MR value.,COCCCNC(=O)[C@H](C)N1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1,88.03740000000006
+232220,Please modify the molecule Cc1cccc(C)c1NC(=O)CSCc1ccc(F)cc1 to increase its MR value.,Cc1cccc(C)c1NC(=O)CSCc1ccc(F)cc1,87.10770000000002
+169860,Please modify the molecule Cn1cc([C@]2(C)CN(Cc3cccn3C)CCO2)cn1 to increase its MR value.,Cn1cc([C@]2(C)CN(Cc3cccn3C)CCO2)cn1,77.20200000000004
+178678,Modify the molecule CCn1cnnc1-c1ccccc1NC(=O)c1cc2c(F)cccc2[nH]1 to increase its MR value.,CCn1cnnc1-c1ccccc1NC(=O)c1cc2c(F)cccc2[nH]1,97.34190000000001
+230203,Modify the molecule NC(=O)c1cc(OC2CC[NH+](CC(=O)N3CCCCCCC3)CC2)ccn1 to decrease its MR value.,NC(=O)c1cc(OC2CC[NH+](CC(=O)N3CCCCCCC3)CC2)ccn1,101.63360000000004
+153976,Please optimize the molecule Fc1ccc(-c2ccnc(Cl)n2)c(Cl)c1 to have a lower MR value.,Fc1ccc(-c2ccnc(Cl)n2)c(Cl)c1,57.44600000000001
+236626,Modify the molecule Cc1cccc(-c2nnc(COC(=O)C34CC5CC(CC(C5)C3)C4)o2)c1 to decrease its MR value.,Cc1cccc(-c2nnc(COC(=O)C34CC5CC(CC(C5)C3)C4)o2)c1,94.87200000000004
+7417,Please optimize the molecule COc1cccc(CN(Cc2ncccc2C)C[C@H]2CCCO2)c1 to have a higher MR value.,COc1cccc(CN(Cc2ncccc2C)C[C@H]2CCCO2)c1,95.05600000000005
+241441,Please modify the molecule CC(C)[NH+](C)C[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(F)c1 to increase its MR value.,CC(C)[NH+](C)C[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(F)c1,101.86620000000006
+85175,Modify the molecule COc1cc(OC)cc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)c1 to decrease its MR value.,COc1cc(OC)cc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)c1,125.9762
+20958,Modify the molecule C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)C1 to have a higher MR value.,C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)C1,120.92730000000005
+71572,Modify the molecule COC(=O)Nc1ccc(OC(=O)CCn2ccc3ccccc32)cc1 to have a higher MR value.,COC(=O)Nc1ccc(OC(=O)CCn2ccc3ccccc32)cc1,94.65970000000003
+27938,Please optimize the molecule O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1cc(Cl)ccc1Cl to have a higher MR value.,O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1cc(Cl)ccc1Cl,109.26200000000004
+228567,Modify the molecule CCc1ccc(/C=N/OCC(=O)N(C)c2ccccc2)cc1 to increase its MR value.,CCc1ccc(/C=N/OCC(=O)N(C)c2ccccc2)cc1,89.21800000000005
+86832,Please optimize the molecule CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1Cl to have a lower MR value.,CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1Cl,96.31470000000003
+190792,Modify the molecule CCNc1nnc(S(=O)(=O)Cc2nnnn2-c2ccccc2)s1 to have a lower MR value.,CCNc1nnc(S(=O)(=O)Cc2nnnn2-c2ccccc2)s1,84.11650000000002
+137632,Modify the molecule CSC[C@@H](C)N(C)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 to increase its MR value.,CSC[C@@H](C)N(C)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2,94.59670000000007
+78863,Modify the molecule CCc1nncn1CCNC(=O)NCC1([O-])CCC1 to increase its MR value.,CCc1nncn1CCNC(=O)NCC1([O-])CCC1,67.38340000000004
+131598,Modify the molecule O=C(c1cccs1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 to decrease its MR value.,O=C(c1cccs1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1,94.56950000000002
+2085,Please modify the molecule CCOc1cc2ccccc2cc1C(=O)N1CCOCC1 to increase its MR value.,CCOc1cc2ccccc2cc1C(=O)N1CCOCC1,81.83950000000004
+82855,Please modify the molecule CCc1nn(C)cc1C[NH2+]C[C@@H]1C[C@@]12CCCc1ccccc12 to decrease its MR value.,CCc1nn(C)cc1C[NH2+]C[C@@H]1C[C@@]12CCCc1ccccc12,92.24740000000006
+193889,Modify the molecule c1cncc([C@@H]2NCc3ccccc3N/C2=[NH+]\C2CCCCC2)c1 to have a higher MR value.,c1cncc([C@@H]2NCc3ccccc3N/C2=[NH+]\C2CCCCC2)c1,96.72510000000004
+63575,Please modify the molecule Cc1cc2oc(Br)c(CC(=O)N3CCOCC3)c2cc1Cl to increase its MR value.,Cc1cc2oc(Br)c(CC(=O)N3CCOCC3)c2cc1Cl,84.76400000000002
+231830,Optimize the molecule COc1ccc(F)cc1-c1csc(NC(=O)c2cc3c(F)cccc3n2C)n1 to have a lower MR value.,COc1ccc(F)cc1-c1csc(NC(=O)c2cc3c(F)cccc3n2C)n1,104.89020000000004
+75244,Modify the molecule C[C@@H]1CCCN(C(=O)Cn2c(-c3cscn3)nc3ccccc32)C1 to increase its MR value.,C[C@@H]1CCCN(C(=O)Cn2c(-c3cscn3)nc3ccccc32)C1,95.81900000000005
+72267,Optimize the molecule O=C(NCCC(F)(F)F)N1CCC(c2c[nH]c3ncccc23)CC1 to have a lower MR value.,O=C(NCCC(F)(F)F)N1CCC(c2c[nH]c3ncccc23)CC1,83.71240000000003
+168786,Optimize the molecule O=C(NCCS(=O)(=O)N1CCSCC1)c1cc2ccccc2n1Cc1ccccc1F to have a lower MR value.,O=C(NCCS(=O)(=O)N1CCSCC1)c1cc2ccccc2n1Cc1ccccc1F,122.45800000000004
+42448,Modify the molecule C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)C(=O)NCc1ccccc1 to have a lower MR value.,C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)C(=O)NCc1ccccc1,106.26610000000001
+134391,Modify the molecule CN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 to have a lower MR value.,CN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1,87.14780000000005
+86047,Modify the molecule CC[C@H](C)N(C)C(=O)COc1ccc(C(C)=O)cc1OC to have a lower MR value.,CC[C@H](C)N(C)C(=O)COc1ccc(C(C)=O)cc1OC,81.01650000000005
+99705,Optimize the molecule COc1ccc(-n2nc(SCC(=O)Nc3ccc(C)cc3Cl)ccc2=O)cc1 to have a higher MR value.,COc1ccc(-n2nc(SCC(=O)Nc3ccc(C)cc3Cl)ccc2=O)cc1,111.92870000000002
+125999,Optimize the molecule C[NH+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(O)cc2O)CC1 to have a lower MR value.,C[NH+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(O)cc2O)CC1,86.40430000000003
+134482,Modify the molecule Cc1cc2oc(=O)cc([O-])c2cc1Cl to decrease its MR value.,Cc1cc2oc(=O)cc([O-])c2cc1Cl,51.677000000000014
+86025,Optimize the molecule O=C(C[C@H]1C(=O)OCC[NH+]1Cc1ccccc1)Nc1ccccc1 to have a lower MR value.,O=C(C[C@H]1C(=O)OCC[NH+]1Cc1ccccc1)Nc1ccccc1,90.41140000000004
+128834,Modify the molecule COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(Cl)cc2Cl)c1 to increase its MR value.,COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(Cl)cc2Cl)c1,93.82239999999999
+17614,Modify the molecule CC(C)[C@@H]1CS(=O)(=O)CC[C@H](C)[NH2+]1 to have a lower MR value.,CC(C)[C@@H]1CS(=O)(=O)CC[C@H](C)[NH2+]1,53.284200000000034
+2563,Modify the molecule CCCN1CCN(C(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1 to increase its MR value.,CCCN1CCN(C(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1,104.88600000000005
+221251,Modify the molecule C[NH2+]C[C@H](Cc1ccc(F)cc1)c1ccccc1F to have a lower MR value.,C[NH2+]C[C@H](Cc1ccc(F)cc1)c1ccccc1F,71.96140000000004
+172133,Optimize the molecule CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Nc2ccc(Cl)cc2F)C1 to have a higher MR value.,CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Nc2ccc(Cl)cc2F)C1,88.29180000000004
+102349,Modify the molecule CCOC(=O)C1CCC([NH+]2CCN(CCc3ccccc3)CC2)CC1 to decrease its MR value.,CCOC(=O)C1CCC([NH+]2CCN(CCc3ccccc3)CC2)CC1,99.66170000000007
+108392,Please optimize the molecule COc1cc(C)ccc1NCc1ccc(C2CC2)cc1 to have a higher MR value.,COc1cc(C)ccc1NCc1ccc(C2CC2)cc1,83.47470000000006
+134419,Modify the molecule COc1cc(Cl)ccc1-c1ccc(=O)[nH]c1 to have a lower MR value.,COc1cc(Cl)ccc1-c1ccc(=O)[nH]c1,64.06070000000001
+186210,Please modify the molecule Cc1ncccc1NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 to decrease its MR value.,Cc1ncccc1NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1,85.31840000000003
+48516,Optimize the molecule N#CCOc1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)cc1 to have a higher MR value.,N#CCOc1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)cc1,88.9935
+188021,Modify the molecule O=C(C[NH+]1CCN(S(=O)(=O)N2CCCC2)CC1)Nc1ccc2ncccc2c1 to have a higher MR value.,O=C(C[NH+]1CCN(S(=O)(=O)N2CCCC2)CC1)Nc1ccc2ncccc2c1,107.23620000000003
+32959,Modify the molecule C[NH2+][C@@H](c1cscc1C)c1ccc(OC)cc1Br to have a higher MR value.,C[NH2+][C@@H](c1cscc1C)c1ccc(OC)cc1Br,79.44240000000003
+247330,Please modify the molecule C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl to decrease its MR value.,C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,71.09750000000001
+20350,Optimize the molecule C[NH2+][C@H](C)c1ccn(CCC[C@H]2CCCO2)c1 to have a higher MR value.,C[NH2+][C@H](C)c1ccn(CCC[C@H]2CCCO2)c1,68.90440000000005
+117674,Modify the molecule CNC(=O)[C@@H]1CCC[NH+]1CC(C)(C)CCC#N to decrease its MR value.,CNC(=O)[C@@H]1CCC[NH+]1CC(C)(C)CCC#N,66.41340000000004
+11605,Optimize the molecule CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2ccc(N4CCCC4)c(F)c2)[C@@H]3C1=O to have a lower MR value.,CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2ccc(N4CCCC4)c(F)c2)[C@@H]3C1=O,107.04970000000006
+130161,Modify the molecule CCCOc1ccc2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c(=O)oc2c1 to have a lower MR value.,CCCOc1ccc2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c(=O)oc2c1,99.31960000000005
+8725,Please optimize the molecule CCNC(=O)c1ccc(NCC(=O)Nc2c(C)cc(C)cc2C)nc1 to have a lower MR value.,CCNC(=O)c1ccc(NCC(=O)Nc2c(C)cc(C)cc2C)nc1,100.01660000000003
+51843,Modify the molecule CCO[C@H]1C[C@H]1C(=O)N1CCc2c(sc(N)c2C#N)C1 to increase its MR value.,CCO[C@H]1C[C@H]1C(=O)N1CCc2c(sc(N)c2C#N)C1,76.08840000000002
+131836,Please optimize the molecule COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1 to have a higher MR value.,COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1,103.48550000000004
+237651,Modify the molecule Cc1nnnn1-c1ccc(F)c(NC(=O)CCc2ccc3c(c2)OCO3)c1 to have a higher MR value.,Cc1nnnn1-c1ccc(F)c(NC(=O)CCc2ccc3c(c2)OCO3)c1,93.36470000000003
+54447,Modify the molecule CC(C)CNC(=O)[C@@H](C)[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1 to increase its MR value.,CC(C)CNC(=O)[C@@H](C)[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1,97.55840000000006
+176362,Please optimize the molecule C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccs1 to have a higher MR value.,C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccs1,78.13820000000003
+148284,Optimize the molecule CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccccc1 to have a higher MR value.,CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccccc1,89.96720000000002
+137502,Please optimize the molecule C#C[C@]1(OCOC)CCCCO1 to have a higher MR value.,C#C[C@]1(OCOC)CCCCO1,44.328000000000024
+11713,Modify the molecule COc1ccc(C(N)=O)c(OCc2cc(=O)n3ccsc3n2)c1 to increase its MR value.,COc1ccc(C(N)=O)c(OCc2cc(=O)n3ccsc3n2)c1,85.18290000000002
+47303,Modify the molecule Nc1nc(SCCN2CCCC2=O)n[nH]1 to have a higher MR value.,Nc1nc(SCCN2CCCC2=O)n[nH]1,57.33310000000001
+91462,Optimize the molecule CC[C@@H](CCO)CNc1cc2c(cc1N)NC(=O)CC2 to have a lower MR value.,CC[C@@H](CCO)CNc1cc2c(cc1N)NC(=O)CC2,81.77860000000003
+14256,Modify the molecule Cc1cc(CN[C@H]2CC(=O)N(C)C2=O)ccc1Br to have a lower MR value.,Cc1cc(CN[C@H]2CC(=O)N(C)C2=O)ccc1Br,71.90070000000003
+6548,Please optimize the molecule O=C(NCc1ccco1)N1CCC(Oc2ccccc2C(=O)N2CCCC2)CC1 to have a higher MR value.,O=C(NCc1ccco1)N1CCC(Oc2ccccc2C(=O)N2CCCC2)CC1,107.74620000000007
+119084,Modify the molecule C=CCNC(=O)CSc1ncnc2sc3c(c12)CCCC3 to have a higher MR value.,C=CCNC(=O)CSc1ncnc2sc3c(c12)CCCC3,87.98770000000003
+88449,Please modify the molecule O=C(Cc1c(F)cccc1F)NC1CC1 to decrease its MR value.,O=C(Cc1c(F)cccc1F)NC1CC1,51.22670000000003
+78239,Optimize the molecule CCS(=O)(=O)NCCN1CCCC2(C1)OCCO2 to have a higher MR value.,CCS(=O)(=O)NCCN1CCCC2(C1)OCCO2,67.77250000000004
+49160,Please optimize the molecule Cc1n[nH]c(C)c1-c1nc2c([nH]1)CC(C)(C)CNC2=O to have a higher MR value.,Cc1n[nH]c(C)c1-c1nc2c([nH]1)CC(C)(C)CNC2=O,75.46160000000002
+29282,Optimize the molecule C[C@H](NC(=O)c1cc2c(F)cccc2s1)c1ccccn1 to have a lower MR value.,C[C@H](NC(=O)c1cc2c(F)cccc2s1)c1ccccn1,81.90120000000003
+247961,Modify the molecule C[C@H]1CC[C@H](C)[C@@](C[NH3+])(N(C)CCc2cccs2)C1 to increase its MR value.,C[C@H]1CC[C@H](C)[C@@](C[NH3+])(N(C)CCc2cccs2)C1,83.31810000000006
+209946,Please optimize the molecule COc1cc(C)c(N)cc1S(=O)(=O)N(C)[C@H](C)C(C)C to have a higher MR value.,COc1cc(C)c(N)cc1S(=O)(=O)N(C)[C@H](C)C(C)C,81.39220000000006
+182189,Modify the molecule NC(=O)c1c(F)cccc1N1CCC[C@H](CC(=O)[O-])C1 to have a lower MR value.,NC(=O)c1c(F)cccc1N1CCC[C@H](CC(=O)[O-])C1,69.47890000000002
+148125,Optimize the molecule Cc1cnc2nc([C@H]3CC[C@H]4CCCC[C@@H]4[NH2+]3)[nH]c2c1 to have a higher MR value.,Cc1cnc2nc([C@H]3CC[C@H]4CCCC[C@@H]4[NH2+]3)[nH]c2c1,78.27210000000004
+221627,Modify the molecule CC/[NH+]=C(/NC[C@H]1CCC[NH+](C)C1)N[C@@H]1CCC[C@H](C)C1 to have a higher MR value.,CC/[NH+]=C(/NC[C@H]1CCC[NH+](C)C1)N[C@@H]1CCC[C@H](C)C1,88.41380000000007
+86432,Please modify the molecule Cc1nsc(Nc2ccccc2C(C)C)c1C(=O)[O-] to decrease its MR value.,Cc1nsc(Nc2ccccc2C(C)C)c1C(=O)[O-],74.99520000000003
+201974,Please optimize the molecule O=C(OCc1nccc2ccccc12)c1ccccc1 to have a higher MR value.,O=C(OCc1nccc2ccccc12)c1ccccc1,77.30450000000003
+56427,Modify the molecule O=C(NCCCCOc1ccccc1)c1ccc2c(c1)OCCCO2 to increase its MR value.,O=C(NCCCCOc1ccccc1)c1ccc2c(c1)OCCCO2,95.55320000000006
+164757,Modify the molecule CCN(CC)C(=O)c1cccc(NC(=O)N(C)Cc2ccccc2C)c1 to have a lower MR value.,CCN(CC)C(=O)c1cccc(NC(=O)N(C)Cc2ccccc2C)c1,105.35820000000004
+228115,Modify the molecule CC(C)n1nccc1NC(=O)C(=O)NC1CCCCC1 to increase its MR value.,CC(C)n1nccc1NC(=O)C(=O)NC1CCCCC1,76.25740000000005
+16050,Please optimize the molecule Cc1ccc(-n2nnnc2-c2c[nH]c3cc(Cl)ccc23)cc1 to have a higher MR value.,Cc1ccc(-n2nnnc2-c2c[nH]c3cc(Cl)ccc23)cc1,86.1937
+148674,Modify the molecule Cc1[nH]ncc1CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 to decrease its MR value.,Cc1[nH]ncc1CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1,84.98050000000002
+64912,Modify the molecule C/[NH+]=C(\NCc1ccnc(OC)c1)NCc1ccc(C)cc1C to have a higher MR value.,C/[NH+]=C(\NCc1ccnc(OC)c1)NCc1ccc(C)cc1C,92.27810000000005
+160026,Please modify the molecule Cn1cc(C(=O)NCCc2nnc3n2CC[NH2+]CC3)c2ccccc21 to decrease its MR value.,Cn1cc(C(=O)NCCc2nnc3n2CC[NH2+]CC3)c2ccccc21,94.34160000000004
+181610,Modify the molecule Cc1ccccc1CC(=O)N1CCCCC[C@H]1C[C@H](C)O to have a higher MR value.,Cc1ccccc1CC(=O)N1CCCCC[C@H]1C[C@H](C)O,85.14980000000006
+193442,Please modify the molecule Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C1CCC(C)CC1 to increase its MR value.,Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C1CCC(C)CC1,86.06570000000004
+113235,Optimize the molecule O=C(c1cc2ccccc2s1)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 to have a lower MR value.,O=C(c1cc2ccccc2s1)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1,118.20620000000004
+213208,Please modify the molecule O=C(c1ccc(SCc2ccc3ccccc3n2)nc1)N1CCCC1 to increase its MR value.,O=C(c1ccc(SCc2ccc3ccccc3n2)nc1)N1CCCC1,100.67850000000004
+16117,Please optimize the molecule CCN1C(=O)NC(=N)[C@@H]1[C@@H](C)c1ccccc1 to have a lower MR value.,CCN1C(=O)NC(=N)[C@@H]1[C@@H](C)c1ccccc1,67.28340000000003
+123691,Optimize the molecule C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[C@@H](C)c2ccc3c(c2)OCCO3)C1 to have a higher MR value.,C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[C@@H](C)c2ccc3c(c2)OCCO3)C1,119.76720000000005
+49085,Please modify the molecule C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)[C@H](C)Cc1cccs1 to decrease its MR value.,C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)[C@H](C)Cc1cccs1,94.48110000000004
+198902,Optimize the molecule NC(=O)CCCCNC(=O)c1cc(Cl)cc(Cl)c1 to have a higher MR value.,NC(=O)CCCCNC(=O)c1cc(Cl)cc(Cl)c1,71.84060000000002
+18792,Modify the molecule Cc1cnc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C)s1 to have a lower MR value.,Cc1cnc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C)s1,80.85820000000001
+95752,Modify the molecule CCN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(C)c(C)c1 to decrease its MR value.,CCN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(C)c(C)c1,119.16570000000002
+52924,Modify the molecule Cc1cc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)ccc1N1CCCC1 to increase its MR value.,Cc1cc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)ccc1N1CCCC1,105.14100000000005
+155290,Optimize the molecule Cc1ccc(-n2cc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)cn2)cc1 to have a higher MR value.,Cc1ccc(-n2cc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)cn2)cc1,111.60050000000004
+12221,Optimize the molecule CS(=O)(=O)CCNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 to have a lower MR value.,CS(=O)(=O)CCNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1,85.62800000000003
+90035,Modify the molecule Cc1noc(C)c1CCCNC(=O)c1ccc(Cl)cc1Cl to have a lower MR value.,Cc1noc(C)c1CCCNC(=O)c1ccc(Cl)cc1Cl,83.09320000000004
+126120,Please modify the molecule COc1ccc(CCNC/C(Cl)=C/Cl)cc1 to decrease its MR value.,COc1ccc(CCNC/C(Cl)=C/Cl)cc1,69.35670000000003
+44282,Modify the molecule CC(=O)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 to have a lower MR value.,CC(=O)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCCO1,72.85800000000005
+7582,Optimize the molecule Cc1ccn(-c2ccc(N3CCN(C(=O)CC(C)C)CC3)nn2)n1 to have a lower MR value.,Cc1ccn(-c2ccc(N3CCN(C(=O)CC(C)C)CC3)nn2)n1,92.13900000000005
+237892,Modify the molecule Cc1nc(COc2cccnc2Cl)sc1C to increase its MR value.,Cc1nc(COc2cccnc2Cl)sc1C,65.16700000000003
+237675,Modify the molecule CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H](C)C2CCC2)C1 to increase its MR value.,CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H](C)C2CCC2)C1,76.72110000000006
+192942,Modify the molecule COc1ccc(/C=C/C(=O)Nc2[nH]nc(C3CC3)c2C)cc1OC to decrease its MR value.,COc1ccc(/C=C/C(=O)Nc2[nH]nc(C3CC3)c2C)cc1OC,92.50940000000003
+30407,Optimize the molecule COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O to have a higher MR value.,COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O,119.73110000000003
+157379,Modify the molecule C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 to have a higher MR value.,C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1,91.33990000000004
+60616,Optimize the molecule CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 to have a higher MR value.,CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1,96.93010000000007
+183715,Modify the molecule Cc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1 to have a higher MR value.,Cc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1,84.71820000000002
+68908,Modify the molecule Cc1cc2c(=O)[nH]c(CSCC(=O)NCc3ccncc3)nc2s1 to increase its MR value.,Cc1cc2c(=O)[nH]c(CSCC(=O)NCc3ccncc3)nc2s1,97.22340000000003
+212328,Please modify the molecule O=C1/C(=C\c2cccs2)C([O-])=NC(=S)N1c1ccccc1Cl to increase its MR value.,O=C1/C(=C\c2cccs2)C([O-])=NC(=S)N1c1ccccc1Cl,91.26700000000001
+111671,Please modify the molecule CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccc2c(c1)OCCO2 to increase its MR value.,CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccc2c(c1)OCCO2,125.52400000000003
+12994,Modify the molecule Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 to increase its MR value.,Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1,94.89250000000004
+82009,Please modify the molecule CO[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 to increase its MR value.,CO[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1,86.15290000000003
+101829,Please optimize the molecule Cc1nc(C)c(C(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)s1 to have a lower MR value.,Cc1nc(C)c(C(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)s1,90.63850000000004
+135878,Please optimize the molecule Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 to have a higher MR value.,Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1,113.02820000000001
+117090,Please modify the molecule Cc1ccc(C(=O)NC2(/C(N)=N/O)CCCC2)c(F)c1 to increase its MR value.,Cc1ccc(C(=O)NC2(/C(N)=N/O)CCCC2)c(F)c1,73.21110000000002
+239697,Modify the molecule O=C(c1cccc2cc[nH]c12)N1CCC(OC[C@@H]2CCCO2)CC1 to have a higher MR value.,O=C(c1cccc2cc[nH]c12)N1CCC(OC[C@@H]2CCCO2)CC1,92.15020000000005
+85166,Modify the molecule COCCCn1cnnc1[C@@H](C)NC(=O)c1cn2cc(C)ccc2n1 to decrease its MR value.,COCCCn1cnnc1[C@@H](C)NC(=O)c1cn2cc(C)ccc2n1,92.32520000000004
+48403,Modify the molecule CC(=O)CC(=O)Nc1ccc(Cl)cn1 to decrease its MR value.,CC(=O)CC(=O)Nc1ccc(Cl)cn1,53.174700000000016
+96861,Please modify the molecule CO[C@@H]1CCC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 to decrease its MR value.,CO[C@@H]1CCC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1,86.12570000000007
+240765,Please optimize the molecule COC(=O)c1cc(Cl)c2c(c1)C[C@@H](CNC(=O)C1CC1)O2 to have a higher MR value.,COC(=O)c1cc(Cl)c2c(c1)C[C@@H](CNC(=O)C1CC1)O2,76.64520000000003
+78903,Optimize the molecule O=C(CCn1cncn1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 to have a lower MR value.,O=C(CCn1cncn1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12,76.0168
+105165,Modify the molecule CC(C)[C@@H]1CCC[NH+]([C@@H]2CC[C@@](C#N)(NC3CC3)C2)CC1 to have a higher MR value.,CC(C)[C@@H]1CCC[NH+]([C@@H]2CC[C@@](C#N)(NC3CC3)C2)CC1,85.01640000000006
+7112,Please optimize the molecule CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 to have a lower MR value.,CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1,98.37320000000004
+94651,Modify the molecule Clc1cc(NC[C@@H]2CCCN(c3ncccn3)C2)ccn1 to have a higher MR value.,Clc1cc(NC[C@@H]2CCCN(c3ncccn3)C2)ccn1,84.70570000000004
+176125,Modify the molecule CCCOc1ccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=O)oc2c1 to increase its MR value.,CCCOc1ccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=O)oc2c1,102.13920000000005
+88172,Please optimize the molecule CN(C[C@H]1CCC[NH2+]C1)c1ncc(Cl)cn1 to have a higher MR value.,CN(C[C@H]1CCC[NH2+]C1)c1ncc(Cl)cn1,64.69540000000003
+141081,Modify the molecule C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 to increase its MR value.,C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1,124.8789
+47692,Modify the molecule CCCCNC(=O)CSc1nc(-c2ccccc2)no1 to decrease its MR value.,CCCCNC(=O)CSc1nc(-c2ccccc2)no1,78.37570000000002
+241446,Please optimize the molecule CCn1nc(C)c(C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)c1C to have a lower MR value.,CCn1nc(C)c(C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)c1C,97.14340000000006
+132805,Modify the molecule O=C([O-])Cn1cccc1C(=O)N=c1[nH]c2ccccc2[nH]1 to decrease its MR value.,O=C([O-])Cn1cccc1C(=O)N=c1[nH]c2ccccc2[nH]1,71.98190000000002
+100465,Modify the molecule Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 to have a lower MR value.,Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1,136.1946999999999
+22851,Please modify the molecule Cc1cc(C)nc(N/C=C(\C#N)C(=O)c2ccoc2C)n1 to decrease its MR value.,Cc1cc(C)nc(N/C=C(\C#N)C(=O)c2ccoc2C)n1,76.60020000000002
+64108,Please modify the molecule CN(Cc1ccccc1F)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 to increase its MR value.,CN(Cc1ccccc1F)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1,78.19970000000004
+162836,Please modify the molecule O=C(COC(=O)c1cccc(C(F)(F)F)c1)NCc1cccs1 to increase its MR value.,O=C(COC(=O)c1cccc(C(F)(F)F)c1)NCc1cccs1,77.89220000000002
+137623,Please modify the molecule CN(C)c1ccc(C(=O)[C@H]2CCCC(C)(C)C2)cc1 to increase its MR value.,CN(C)c1ccc(C(=O)[C@H]2CCCC(C)(C)C2)cc1,80.83850000000005
+209254,Modify the molecule C#CCOc1ccc(CN2CC[S@](=O)C(C)(C)C2)cc1 to have a higher MR value.,C#CCOc1ccc(CN2CC[S@](=O)C(C)(C)C2)cc1,83.13540000000005
+36082,Modify the molecule O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccon1 to have a higher MR value.,O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccon1,76.80220000000003
+226950,Please modify the molecule Cc1cc(Cl)ccc1OCc1ccc(C(=O)N2N=CC[C@]2(O)C(F)(F)F)o1 to decrease its MR value.,Cc1cc(Cl)ccc1OCc1ccc(C(=O)N2N=CC[C@]2(O)C(F)(F)F)o1,89.51230000000004
+221055,Optimize the molecule C[C@H]1OCC[C@H]1c1cnc(CCl)o1 to have a higher MR value.,C[C@H]1OCC[C@H]1c1cnc(CCl)o1,48.83200000000003
+8751,Please optimize the molecule CCC[NH+](CC(=O)NC)Cc1c[nH]nc1-c1cccnc1 to have a higher MR value.,CCC[NH+](CC(=O)NC)Cc1c[nH]nc1-c1cccnc1,80.57710000000003
+28666,Modify the molecule CCOC(=O)c1csc(N(C)C(=O)c2csc(C)n2)n1 to increase its MR value.,CCOC(=O)c1csc(N(C)C(=O)c2csc(C)n2)n1,77.65500000000002
+160988,Optimize the molecule CO[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(O)cc1)CC1CC1 to have a higher MR value.,CO[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(O)cc1)CC1CC1,92.82550000000005
+493,Modify the molecule Cc1cc2ncn(C[C@H]3CC3(Cl)Cl)c2cc1C to have a higher MR value.,Cc1cc2ncn(C[C@H]3CC3(Cl)Cl)c2cc1C,71.75100000000003
+69475,Please modify the molecule Cc1nc2n(n1)[C@@H](c1ccc3c(c1)OCCO3)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 to increase its MR value.,Cc1nc2n(n1)[C@@H](c1ccc3c(c1)OCCO3)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2,119.41270000000004
+24043,Optimize the molecule CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[O-] to have a lower MR value.,CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[O-],65.68070000000003
+58516,Please optimize the molecule COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@H](O)[C@]34O[C@](OC)(OC3(C)C)[C@H](O)C[C@]4(C)[C@@H]1C2 to have a higher MR value.,COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@H](O)[C@]34O[C@](OC)(OC3(C)C)[C@H](O)C[C@]4(C)[C@@H]1C2,121.15210000000008
+64827,Please optimize the molecule Cn1cc(N2CC[C@@H](NC(=O)c3[nH]nc(C4CC4)c3Cl)C2=O)cn1 to have a lower MR value.,Cn1cc(N2CC[C@@H](NC(=O)c3[nH]nc(C4CC4)c3Cl)C2=O)cn1,87.00490000000002
+44091,Optimize the molecule O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-n2cccn2)cc1 to have a higher MR value.,O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-n2cccn2)cc1,97.94720000000002
+12800,Modify the molecule Cc1c(C(=O)Nc2ccc3c(c2)COC3)cccc1[N+](=O)[O-] to decrease its MR value.,Cc1c(C(=O)Nc2ccc3c(c2)COC3)cccc1[N+](=O)[O-],80.72160000000002
+157429,Modify the molecule CC(C)(C)c1cnc(S[C@@H]2CCCC[C@H]2O)o1 to have a lower MR value.,CC(C)(C)c1cnc(S[C@@H]2CCCC[C@H]2O)o1,69.32280000000004
+162564,Modify the molecule C=Cc1ccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 to increase its MR value.,C=Cc1ccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1,112.05400000000002
+111919,Modify the molecule O=C(NC[C@@H](O)c1c(F)cccc1F)c1cccc(C(F)(F)F)c1 to decrease its MR value.,O=C(NC[C@@H](O)c1c(F)cccc1F)c1cccc(C(F)(F)F)c1,75.09500000000001
+219199,Modify the molecule C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 to decrease its MR value.,C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@@H]1CCc2[nH+]ccn2C1,80.51240000000003
+246947,Optimize the molecule CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCOCC2)C1 to have a lower MR value.,CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCOCC2)C1,91.78950000000006
+239804,Please optimize the molecule COc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccsc4c(=O)n3Cc3ccc(C)cc3)C2)c1 to have a higher MR value.,COc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccsc4c(=O)n3Cc3ccc(C)cc3)C2)c1,140.72169999999986
+119906,Modify the molecule CC[C@H](Nc1nc2ccc(Cl)cn2n1)C(C)C to have a lower MR value.,CC[C@H](Nc1nc2ccc(Cl)cn2n1)C(C)C,70.53670000000002
+16320,Please optimize the molecule CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2c(cc1C#N)CCCC2 to have a higher MR value.,CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2c(cc1C#N)CCCC2,102.15470000000005
+166713,Optimize the molecule CCCCN(C(=O)[C@@H]1COCCO1)[C@@H](C)c1ccccc1 to have a higher MR value.,CCCCN(C(=O)[C@@H]1COCCO1)[C@@H](C)c1ccccc1,82.03700000000006
+44856,Please modify the molecule Cc1nonc1N1CCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)CC1 to decrease its MR value.,Cc1nonc1N1CCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)CC1,125.05800000000005
+152592,Please modify the molecule O[C@H]1CCC[C@]1([NH2+]Cc1ccccc1)c1ccccc1 to increase its MR value.,O[C@H]1CCC[C@]1([NH2+]Cc1ccccc1)c1ccccc1,80.04920000000006
+137870,Optimize the molecule CCOc1ccc(NC[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 to have a higher MR value.,CCOc1ccc(NC[C@@H]2CCCN(S(C)(=O)=O)C2)cn1,83.03650000000005
+90693,Please optimize the molecule CCOCCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 to have a higher MR value.,CCOCCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2,86.99070000000005
+237172,Optimize the molecule Cc1nc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)nn1-c1ccc(Cl)cc1 to have a higher MR value.,Cc1nc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)nn1-c1ccc(Cl)cc1,105.39090000000003
+230166,Modify the molecule Cc1ncc([C@@H](C)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)s1 to decrease its MR value.,Cc1ncc([C@@H](C)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)s1,95.32370000000006
+195916,Optimize the molecule COC(=O)[C@]1(F)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccco2)C1 to have a higher MR value.,COC(=O)[C@]1(F)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccco2)C1,79.81850000000003
+15174,Optimize the molecule CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 to have a higher MR value.,CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1,97.16620000000005
+193052,Please optimize the molecule CC[C@@H](O)CN1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 to have a higher MR value.,CC[C@@H](O)CN1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1,92.12030000000004
+230009,Modify the molecule Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 to decrease its MR value.,Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1,111.85040000000002
+167357,Modify the molecule O=c1[nH]c(/C=C/c2cccc(Cl)c2Cl)nc2ccccc12 to have a lower MR value.,O=c1[nH]c(/C=C/c2cccc(Cl)c2Cl)nc2ccccc12,87.75370000000002
+119005,Please optimize the molecule C=CCN1C(=O)c2ccccc2[C@@]1(CC=C)C(=O)OCC to have a lower MR value.,C=CCN1C(=O)c2ccccc2[C@@]1(CC=C)C(=O)OCC,80.80050000000004
+6212,Modify the molecule CNC(=O)c1c(C)nc(N)nc1-c1ccc(Cl)cc1Cl to decrease its MR value.,CNC(=O)c1c(C)nc(N)nc1-c1ccc(Cl)cc1Cl,80.0276
+220003,Please optimize the molecule Cc1cc(C(=O)N2CCN(C(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)CC2)c(C)o1 to have a lower MR value.,Cc1cc(C(=O)N2CCN(C(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)CC2)c(C)o1,94.22050000000006
+29660,Please optimize the molecule O=C([O-])CC1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 to have a higher MR value.,O=C([O-])CC1CC[NH+](C[C@@H]2Cc3ccccc32)CC1,70.79870000000004
+164719,Modify the molecule Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4F)c3)nc2s1 to decrease its MR value.,Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4F)c3)nc2s1,109.20320000000002
+206620,Optimize the molecule Fc1ccc(OCCSc2nccs2)cc1 to have a lower MR value.,Fc1ccc(OCCSc2nccs2)cc1,64.73300000000002
+169798,Please modify the molecule O=C(COc1cccc2ccccc12)Nc1ccccc1 to decrease its MR value.,O=C(COc1cccc2ccccc12)Nc1ccccc1,84.51470000000003
+64547,Please modify the molecule O=C(CN1C[C@@H](CCN2CCCC2=O)c2ccccc21)NCc1ccco1 to increase its MR value.,O=C(CN1C[C@@H](CCN2CCCC2=O)c2ccccc21)NCc1ccco1,102.38170000000004
+231418,Optimize the molecule CN(C)[C@H](C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)c1c(F)cccc1Cl to have a lower MR value.,CN(C)[C@H](C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)c1c(F)cccc1Cl,108.19070000000004
+39786,Please modify the molecule CC(C)c1csc(/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)n1 to increase its MR value.,CC(C)c1csc(/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)n1,97.19500000000002
+185736,Optimize the molecule Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1CCCO1 to have a lower MR value.,Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1CCCO1,75.44400000000005
+213432,Please optimize the molecule CC1(C)CC(NC(=O)c2n[nH]c(=O)c3ccccc23)CC(C)(C)[NH2+]1 to have a higher MR value.,CC1(C)CC(NC(=O)c2n[nH]c(=O)c3ccccc23)CC(C)(C)[NH2+]1,92.93530000000004
+241866,Please modify the molecule Cc1noc(C)c1CCC(=O)Nc1ccc(CC[C@H]2CC[NH+](C)C[C@@H]2C)cc1 to increase its MR value.,Cc1noc(C)c1CCC(=O)Nc1ccc(CC[C@H]2CC[NH+](C)C[C@@H]2C)cc1,111.58240000000005
+198906,Modify the molecule CCOc1ccccc1N1CCN(C[C@H](O)c2ccccc2F)CC1 to increase its MR value.,CCOc1ccccc1N1CCN(C[C@H](O)c2ccccc2F)CC1,97.62380000000006
+157782,Optimize the molecule CC1(C)CCC[NH+](C[C@@H](CS)c2ccccc2)CC1 to have a higher MR value.,CC1(C)CCC[NH+](C[C@@H](CS)c2ccccc2)CC1,86.23170000000006
+127205,Please modify the molecule CC(C)OC(=O)c1cccc(-c2nnn(Cc3ccccc3)n2)c1 to decrease its MR value.,CC(C)OC(=O)c1cccc(-c2nnn(Cc3ccccc3)n2)c1,89.34850000000003
+57303,Modify the molecule Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2C)s1 to increase its MR value.,Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2C)s1,80.86720000000004
+39402,Optimize the molecule N#C/C(C(=O)N1CCN(Cc2ccccc2)CC1)=C1\C(=O)Nc2ccc(Br)cc21 to have a lower MR value.,N#C/C(C(=O)N1CCN(Cc2ccccc2)CC1)=C1\C(=O)Nc2ccc(Br)cc21,113.60370000000003
+151194,Optimize the molecule O=C(Cc1cn2c(nc1=O)SCC2)Nc1cccc(C(=O)N2CCCCC2)c1 to have a lower MR value.,O=C(Cc1cn2c(nc1=O)SCC2)Nc1cccc(C(=O)N2CCCCC2)c1,107.75120000000004
+69775,Modify the molecule Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 to increase its MR value.,Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2,116.0239
+19431,Modify the molecule O=C(Nc1c(Cl)cccc1Cl)C1CCCCC1 to increase its MR value.,O=C(Nc1c(Cl)cccc1Cl)C1CCCCC1,71.66670000000003
+30108,Please optimize the molecule N#Cc1cccc(NC(=O)CS(=O)(=O)c2nc3ccccc3[nH]2)c1 to have a lower MR value.,N#Cc1cccc(NC(=O)CS(=O)(=O)c2nc3ccccc3[nH]2)c1,87.93320000000003
+123871,Modify the molecule C/C=C/C=C/C(=O)Nc1cc(C(=O)OC)ccc1F to have a higher MR value.,C/C=C/C=C/C(=O)Nc1cc(C(=O)OC)ccc1F,70.32320000000001
+23929,Please modify the molecule CCOCC[NH+]1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 to decrease its MR value.,CCOCC[NH+]1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1,112.09170000000006
+62590,Optimize the molecule Cc1c(C(=O)NCCc2nnc3ccccn23)cnn1-c1ccc(Br)cc1 to have a higher MR value.,Cc1c(C(=O)NCCc2nnc3ccccn23)cnn1-c1ccc(Br)cc1,105.02520000000003
+83258,Modify the molecule Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1cn2ccccc2n1 to have a higher MR value.,Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1cn2ccccc2n1,107.98640000000002
+247325,Modify the molecule CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C(=O)OC)[C@@H](C)C1 to increase its MR value.,CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C(=O)OC)[C@@H](C)C1,72.04410000000003
+107798,Modify the molecule CC[C@@H](C(C)C)n1c(CCl)nc2cc(Br)cnc21 to increase its MR value.,CC[C@@H](C(C)C)n1c(CCl)nc2cc(Br)cnc21,78.95100000000004
+197981,Please optimize the molecule COc1ncccc1C[NH+](CC(=O)[O-])C1CCCC1 to have a lower MR value.,COc1ncccc1C[NH+](CC(=O)[O-])C1CCCC1,67.58570000000005
+123567,Please modify the molecule C[S@@](=O)c1nncn1Cc1csc(C2CCCC2)n1 to decrease its MR value.,C[S@@](=O)c1nncn1Cc1csc(C2CCCC2)n1,74.77940000000004
+72829,Please modify the molecule COc1cccc(F)c1[C@H](C)NC(=O)N1CCc2ccc(F)cc21 to decrease its MR value.,COc1cccc(F)c1[C@H](C)NC(=O)N1CCc2ccc(F)cc21,87.34870000000004
+73163,Modify the molecule c1ccc(Cc2cccnc2)nc1 to have a lower MR value.,c1ccc(Cc2cccnc2)nc1,51.28000000000003
+241674,Modify the molecule COC[C@H](C)n1c(C)cc(C(=O)CSc2ccc3ccccc3n2)c1C to decrease its MR value.,COC[C@H](C)n1c(C)cc(C(=O)CSc2ccc3ccccc3n2)c1C,107.29050000000005
+139130,Modify the molecule CCS(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 to have a higher MR value.,CCS(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1,48.638500000000015
+111578,Modify the molecule CCn1cnnc1[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 to decrease its MR value.,CCn1cnnc1[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1,79.12300000000003
+103167,Please modify the molecule Cc1ccc(C(=O)NCCc2ccc(O)cc2)cc1F to increase its MR value.,Cc1ccc(C(=O)NCCc2ccc(O)cc2)cc1F,75.28100000000003
+231137,Optimize the molecule C[C@@H](NC(=O)N1CCC1)c1ccc(Cl)s1 to have a lower MR value.,C[C@@H](NC(=O)N1CCC1)c1ccc(Cl)s1,62.465700000000034
+134947,Please optimize the molecule Cc1cccc2nc([C@H]3CCCN3C3CC[NH2+]CC3)oc12 to have a higher MR value.,Cc1cccc2nc([C@H]3CCCN3C3CC[NH2+]CC3)oc12,82.10840000000005
+27622,Please optimize the molecule C[C@H]1CN(C[C@H](O)COC(C)(C)C)[C@H](C)CO1 to have a higher MR value.,C[C@H]1CN(C[C@H](O)COC(C)(C)C)[C@H](C)CO1,68.16080000000007
+71211,Please modify the molecule Cn1ccc(CN2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)c1 to decrease its MR value.,Cn1ccc(CN2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)c1,92.37440000000005
+168512,Optimize the molecule CC(C)N(Cc1ccccc1)C(=O)C[NH+](C)[C@@H](C)c1cccnc1 to have a higher MR value.,CC(C)N(Cc1ccccc1)C(=O)C[NH+](C)[C@@H](C)c1cccnc1,96.53370000000007
+42461,Modify the molecule Cc1cnc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C(C)C)c2)o1 to decrease its MR value.,Cc1cnc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C(C)C)c2)o1,104.03240000000005
+149696,Modify the molecule C[NH+](C)CCCNC(=O)c1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4 to have a lower MR value.,C[NH+](C)CCCNC(=O)c1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4,103.36490000000003
+228382,Optimize the molecule C[NH+]1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1 to have a higher MR value.,C[NH+]1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1,77.83040000000004
+177007,Please modify the molecule CC[C@@H](C)n1cc(/C=C2\NC(=O)N=C2[O-])c2ccccc21 to increase its MR value.,CC[C@@H](C)n1cc(/C=C2\NC(=O)N=C2[O-])c2ccccc21,80.88370000000003
+129303,Please optimize the molecule CCC(=O)N[C@H]([NH2+]C[C@H]1CCCO1)C(Cl)(Cl)Cl to have a higher MR value.,CCC(=O)N[C@H]([NH2+]C[C@H]1CCCO1)C(Cl)(Cl)Cl,68.27810000000004
+204842,Modify the molecule COCCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl to have a higher MR value.,COCCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl,89.69400000000002
+15740,Modify the molecule COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 to increase its MR value.,COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1,86.58450000000003
+69588,Modify the molecule Cc1ccc(NC(=O)Cn2ccccc2=O)c(Br)c1 to have a higher MR value.,Cc1ccc(NC(=O)Cn2ccccc2=O)c(Br)c1,78.21070000000002
+167525,Modify the molecule COc1cccc(CO[C@H](C)C(=O)N[C@@H](C)c2nnc3n2CCC3)c1 to increase its MR value.,COc1cccc(CO[C@H](C)C(=O)N[C@@H](C)c2nnc3n2CCC3)c1,92.14570000000005
+207068,Modify the molecule CCn1nc(C)c(CNC(=O)c2cc3sccc3n2CC)c1C to have a higher MR value.,CCn1nc(C)c(CNC(=O)c2cc3sccc3n2CC)c1C,94.03420000000004
+180633,Modify the molecule CCOC(=O)[C@]1(N)CC[C@@H]([NH+](C)C2CCCC2)C1 to decrease its MR value.,CCOC(=O)[C@]1(N)CC[C@@H]([NH+](C)C2CCCC2)C1,70.33310000000004
+235222,Please optimize the molecule CO[C@H]1CCC[C@@]([NH2+]C(C)C)(C(N)=O)C1 to have a higher MR value.,CO[C@H]1CCC[C@@]([NH2+]C(C)C)(C(N)=O)C1,58.25180000000003
+240525,Please optimize the molecule O=C1Cc2cc(I)ccc2N1C[C@H]1C[C@H]2CC[C@@H]1C2 to have a higher MR value.,O=C1Cc2cc(I)ccc2N1C[C@H]1C[C@H]2CC[C@@H]1C2,84.15400000000004
+205547,Optimize the molecule Cc1occc1C(=O)Nc1ccccc1C[NH+]1CCC[C@H](C(N)=O)C1 to have a higher MR value.,Cc1occc1C(=O)Nc1ccccc1C[NH+]1CCC[C@H](C(N)=O)C1,94.15930000000004
+33777,Modify the molecule COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)CC(C)(C)O to have a higher MR value.,COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)CC(C)(C)O,77.01290000000004
+239717,Optimize the molecule Cc1cc(C)n2nc(C(=O)Nc3cccc([S@@](C)=O)c3)nc2n1 to have a lower MR value.,Cc1cc(C)n2nc(C(=O)Nc3cccc([S@@](C)=O)c3)nc2n1,86.98360000000004
+130900,Modify the molecule COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 to have a lower MR value.,COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1,102.27369999999999
+38754,Modify the molecule O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 to have a higher MR value.,O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2,107.27700000000003
+88864,Modify the molecule CC[C@H](CS)COc1ccc(F)cc1 to have a higher MR value.,CC[C@H](CS)COc1ccc(F)cc1,59.52900000000003
+56632,Modify the molecule CCc1ccc(C(C)(C)CNC(=O)Nc2cccc(N(C)C(C)=O)c2)cc1 to decrease its MR value.,CCc1ccc(C(C)(C)CNC(=O)Nc2cccc(N(C)C(C)=O)c2)cc1,111.39340000000004
+23671,Optimize the molecule Cn1cc2c3c(cccc31)CN(C(=O)Nc1cccc(Cl)c1F)CC2 to have a lower MR value.,Cn1cc2c3c(cccc31)CN(C(=O)Nc1cccc(Cl)c1F)CC2,97.46170000000005
+38203,Please optimize the molecule C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C(N)=O)C(C)(C)C to have a higher MR value.,C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C(N)=O)C(C)(C)C,82.12210000000003
+177070,Modify the molecule CC(C)(C)c1n[nH]cc1CNc1ccc(Cn2cccn2)cc1 to decrease its MR value.,CC(C)(C)c1n[nH]cc1CNc1ccc(Cn2cccn2)cc1,92.38540000000005
+95533,Please modify the molecule Cc1cc(NC(=O)NCCCn2cc[nH+]c2)ccc1C(=O)N(C)C to decrease its MR value.,Cc1cc(NC(=O)NCCCn2cc[nH+]c2)ccc1C(=O)N(C)C,91.82260000000004
+29535,Modify the molecule O=C(CCOc1ccc(F)cc1)NCc1nnc2ccccn12 to have a lower MR value.,O=C(CCOc1ccc(F)cc1)NCc1nnc2ccccn12,81.34570000000004
+32286,Modify the molecule CCOc1ccc(N)c(S[C@@H]2CCCNC(=O)C2)c1 to decrease its MR value.,CCOc1ccc(N)c(S[C@@H]2CCCNC(=O)C2)c1,78.52910000000003
+46305,Optimize the molecule CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 to have a lower MR value.,CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1,78.31110000000001
+209222,Please optimize the molecule CC[C@@H](C)N(C)C(=O)NCCOc1ccccc1 to have a higher MR value.,CC[C@@H](C)N(C)C(=O)NCCOc1ccccc1,72.85170000000004
+54023,Optimize the molecule Cc1cnc(C(=O)Nc2cc(C#N)ccc2Cl)cn1 to have a lower MR value.,Cc1cnc(C(=O)Nc2cc(C#N)ccc2Cl)cn1,70.88920000000002
+190382,Please modify the molecule C[C@H](CC#N)N(C)Cc1cc(F)cc(/C=C/C(=O)[O-])c1 to increase its MR value.,C[C@H](CC#N)N(C)Cc1cc(F)cc(/C=C/C(=O)[O-])c1,71.60000000000004
+225580,Modify the molecule COc1ccc(C)cc1NC(=O)CNC(=O)c1ccccc1OC(F)F to increase its MR value.,COc1ccc(C)cc1NC(=O)CNC(=O)c1ccccc1OC(F)F,91.76790000000004
+110139,Modify the molecule CN1C(=O)C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)[C@@H]1c1cccs1 to increase its MR value.,CN1C(=O)C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)[C@@H]1c1cccs1,89.13170000000005
+59115,Modify the molecule Cc1ccc(C(=O)NCCNC(=O)N(C)Cc2nccs2)cc1F to have a higher MR value.,Cc1ccc(C(=O)NCCNC(=O)N(C)Cc2nccs2)cc1F,90.44990000000004
+247473,Optimize the molecule CCCOc1ccc(C[NH+]2CCC[C@](C)(CO)C2)cc1OC to have a lower MR value.,CCCOc1ccc(C[NH+]2CCC[C@](C)(CO)C2)cc1OC,87.60750000000006
+35744,Modify the molecule CNC(=O)c1ccccc1NS(=O)(=O)c1cccc2ccccc12 to have a higher MR value.,CNC(=O)c1ccccc1NS(=O)(=O)c1cccc2ccccc12,94.58870000000003
+54144,Modify the molecule CC1(C)Cc2nc([C@@H]3CSCCO3)ncc2[C@@H]([NH3+])C1 to increase its MR value.,CC1(C)Cc2nc([C@@H]3CSCCO3)ncc2[C@@H]([NH3+])C1,75.78110000000004
+33580,Modify the molecule O=C(N[C@@H]1CCCc2ccc(F)cc21)[C@H]1COc2ccccc2O1 to increase its MR value.,O=C(N[C@@H]1CCCc2ccc(F)cc21)[C@H]1COc2ccccc2O1,86.57470000000005
+128120,Optimize the molecule O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H]1Cc2cccc(F)c2O1 to have a lower MR value.,O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H]1Cc2cccc(F)c2O1,84.53140000000003
+226833,Optimize the molecule CCc1ccccc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1 to have a higher MR value.,CCc1ccccc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1,101.54590000000003
+107477,Please modify the molecule Cc1cc(-c2nnn(CCNC(=O)OCC(F)(F)F)n2)ccc1F to increase its MR value.,Cc1cc(-c2nnn(CCNC(=O)OCC(F)(F)F)n2)ccc1F,73.3537
+155918,Optimize the molecule CC[C@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-] to have a lower MR value.,CC[C@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-],57.07210000000001
+106377,Please modify the molecule COCc1nc(OC)c2c(C)c(C(=O)N(C)C[C@@H]3CCN(C(C)=O)C3)sc2n1 to increase its MR value.,COCc1nc(OC)c2c(C)c(C(=O)N(C)C[C@@H]3CCN(C(C)=O)C3)sc2n1,106.73850000000004
+180429,Optimize the molecule COc1cc(OC)cc([C@@](C)(O)c2cccs2)c1 to have a lower MR value.,COc1cc(OC)cc([C@@](C)(O)c2cccs2)c1,72.53780000000003
+32818,Optimize the molecule Cc1ccc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2c1 to have a higher MR value.,Cc1ccc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2c1,102.71940000000002
+120735,Modify the molecule CCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 to have a lower MR value.,CCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1,101.78540000000004
+216498,Optimize the molecule Cc1nnc(N[C@H]2CCCN(c3cnn(C)c3)C2)s1 to have a lower MR value.,Cc1nnc(N[C@H]2CCCN(c3cnn(C)c3)C2)s1,76.71170000000004
+93567,Optimize the molecule COc1ccc(-c2n[nH]c(/N=C(\[O-])[C@@H](C)OCC(F)(F)F)n2)cc1 to have a lower MR value.,COc1ccc(-c2n[nH]c(/N=C(\[O-])[C@@H](C)OCC(F)(F)F)n2)cc1,76.9347
+164487,Please optimize the molecule CC(C)NC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 to have a higher MR value.,CC(C)NC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1,88.24190000000003
+34109,Optimize the molecule Cn1ccnc1CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl to have a higher MR value.,Cn1ccnc1CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl,85.42080000000004
+91325,Modify the molecule COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCCC2)c1 to have a higher MR value.,COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCCC2)c1,130.58350000000004
+46926,Please optimize the molecule COc1ccc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 to have a lower MR value.,COc1ccc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1,89.94280000000003
+219064,Please optimize the molecule C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2Cc2ccco2)CCO1 to have a higher MR value.,C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2Cc2ccco2)CCO1,94.50400000000003
+32703,Please optimize the molecule Cn1c(CSCCCF)nnc1C1CC1 to have a lower MR value.,Cn1c(CSCCCF)nnc1C1CC1,59.732000000000035
+56187,Optimize the molecule CC(C)(C)CC1=NN=C2CCN(C(=O)c3coc4c3C(=O)CCC4)C[C@@H]21 to have a higher MR value.,CC(C)(C)CC1=NN=C2CCN(C(=O)c3coc4c3C(=O)CCC4)C[C@@H]21,98.92900000000004
+224190,Optimize the molecule NC(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 to have a lower MR value.,NC(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,70.38690000000004
+67840,Please modify the molecule CCONC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl to decrease its MR value.,CCONC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl,80.28920000000004
+53823,Modify the molecule CCn1nccc1CNC(=O)Cn1cc2c(n1)c(C)nn2C(C)C to increase its MR value.,CCn1nccc1CNC(=O)Cn1cc2c(n1)c(C)nn2C(C)C,90.38770000000004
+63904,Please modify the molecule Nc1cnn(-c2ccccc2)c1C(F)F to increase its MR value.,Nc1cnn(-c2ccccc2)c1C(F)F,52.93340000000001
+237676,Please modify the molecule COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC(F)F to increase its MR value.,COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC(F)F,81.90720000000003
+52182,Optimize the molecule O=c1oc2ccccc2n1Cc1cccc(C(F)(F)F)c1 to have a higher MR value.,O=c1oc2ccccc2n1Cc1cccc(C(F)(F)F)c1,71.02000000000002
+5828,Modify the molecule Cn1cc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2cccs2)c2ccccc21 to increase its MR value.,Cn1cc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2cccs2)c2ccccc21,108.1898
+115226,Optimize the molecule CC[C@H]1Oc2cc(C)ccc2[C@@H]1[NH2+]C to have a higher MR value.,CC[C@H]1Oc2cc(C)ccc2[C@@H]1[NH2+]C,56.476400000000034
+173091,Modify the molecule C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1nc2ccccc2n1C to increase its MR value.,C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1nc2ccccc2n1C,87.77440000000006
+133861,Optimize the molecule N#Cc1cccc(CN[C@@H](Cn2cncn2)c2ccccc2)c1 to have a higher MR value.,N#Cc1cccc(CN[C@@H](Cn2cncn2)c2ccccc2)c1,87.20170000000003
+225601,Optimize the molecule O=C1N[C@@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 to have a higher MR value.,O=C1N[C@@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1,90.03570000000003
+194654,Optimize the molecule NC(=O)[C@@H]1CCN(C(=O)[C@H]2CCOC2)c2ccccc21 to have a lower MR value.,NC(=O)[C@@H]1CCN(C(=O)[C@H]2CCOC2)c2ccccc21,74.27340000000004
+98920,Modify the molecule CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(S(C)(=O)=O)c1 to decrease its MR value.,CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(S(C)(=O)=O)c1,101.60400000000003
+36397,Modify the molecule CC[C@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(C)cc1 to have a higher MR value.,CC[C@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(C)cc1,103.03140000000005
+169058,Please optimize the molecule O=C(N[C@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O to have a lower MR value.,O=C(N[C@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O,88.71350000000004
+217446,Please modify the molecule CCn1c(=O)n(CC(=O)NNc2cc(C#N)cc(Cl)n2)c2ccccc21 to decrease its MR value.,CCn1c(=O)n(CC(=O)NNc2cc(C#N)cc(Cl)n2)c2ccccc21,97.5994
+21148,Modify the molecule O=C(c1cc(C2CC2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 to have a lower MR value.,O=C(c1cc(C2CC2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1,130.42929999999998
+191651,Please optimize the molecule O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1 to have a lower MR value.,O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1,138.3871999999999
+137029,Modify the molecule COc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 to have a lower MR value.,COc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1,105.9212
+80608,Please modify the molecule c1ncc(N=C2CCCCC2)cn1 to decrease its MR value.,c1ncc(N=C2CCCCC2)cn1,52.212000000000025
+20907,Please modify the molecule CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2C[C@H]2C)c1 to increase its MR value.,CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2C[C@H]2C)c1,66.60440000000003
+48279,Modify the molecule COc1cc2ccccc2cc1C(=O)Nc1cc(C(=O)[O-])ccc1C to have a lower MR value.,COc1cc2ccccc2cc1C(=O)Nc1cc(C(=O)[O-])ccc1C,93.96270000000003
+77684,Optimize the molecule C=CCOc1ccc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC to have a lower MR value.,C=CCOc1ccc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC,124.71200000000002
+174416,Optimize the molecule Cc1ccccc1COC1CCN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CC1 to have a higher MR value.,Cc1ccccc1COC1CCN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CC1,112.76370000000004
+76667,Modify the molecule CC(C)(C)n1nccc1NC(=O)C(=O)NCCc1ccc(F)cc1 to have a higher MR value.,CC(C)(C)n1nccc1NC(=O)C(=O)NCCc1ccc(F)cc1,88.96640000000004
+234704,Optimize the molecule COCCN(Cc1ccco1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 to have a higher MR value.,COCCN(Cc1ccco1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1,87.99570000000006
+213052,Please modify the molecule CCCN(C)S(=O)(=O)c1ccc(OC(C)C)cc1 to increase its MR value.,CCCN(C)S(=O)(=O)c1ccc(OC(C)C)cc1,72.31280000000005
+51764,Please modify the molecule CCOCCCNC(=O)c1c(Br)cnn1CC to increase its MR value.,CCOCCCNC(=O)c1c(Br)cnn1CC,69.04420000000003
+156506,Modify the molecule c1cnc(OCC[C@@H]2CCC[NH2+]C2)nc1 to decrease its MR value.,c1cnc(OCC[C@@H]2CCC[NH2+]C2)nc1,56.527400000000036
+235725,Modify the molecule CNC(=O)CC1CC[NH+](Cc2ccc(-c3ccc(C)cc3)s2)CC1 to have a higher MR value.,CNC(=O)CC1CC[NH+](Cc2ccc(-c3ccc(C)cc3)s2)CC1,100.30040000000005
+200776,Modify the molecule Cc1csc([C@@H]2CCCN(C(=O)C[C@@H]3CCc4ccccc43)C2)n1 to decrease its MR value.,Cc1csc([C@@H]2CCCN(C(=O)C[C@@H]3CCc4ccccc43)C2)n1,97.52700000000006
+84634,Modify the molecule COC(=O)c1cccc(CCNC(=O)NC2(c3nccs3)CCCC2)c1 to have a lower MR value.,COC(=O)c1cccc(CCNC(=O)NC2(c3nccs3)CCCC2)c1,100.27990000000005
+14525,Please modify the molecule C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 to increase its MR value.,C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1,105.90770000000006
+33091,Please optimize the molecule Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1 to have a higher MR value.,Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1,100.32750000000004
+210890,Please modify the molecule Cc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 to increase its MR value.,Cc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21,112.55030000000002
+17045,Please optimize the molecule C[C@](O)(c1ccccc1Br)C1(C#N)CCCCC1 to have a lower MR value.,C[C@](O)(c1ccccc1Br)C1(C#N)CCCCC1,74.84380000000004
+241937,Optimize the molecule CC[NH+]1CCC(CCNC(=O)C(C)(C)NC(=O)Nc2ccccc2)CC1 to have a higher MR value.,CC[NH+]1CCC(CCNC(=O)C(C)(C)NC(=O)Nc2ccccc2)CC1,104.26380000000006
+198293,Please modify the molecule CCN(CC)c1ccc(NC(=O)[C@@](C)([NH3+])CC)cc1 to increase its MR value.,CCN(CC)c1ccc(NC(=O)[C@@](C)([NH3+])CC)cc1,80.21680000000005
+195217,Please modify the molecule Cn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 to decrease its MR value.,Cn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1,64.74700000000001
+89393,Modify the molecule Cc1cccc([C@@H](C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)N(C)C)c1 to increase its MR value.,Cc1cccc([C@@H](C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)N(C)C)c1,96.09170000000003
+157696,Modify the molecule COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 to decrease its MR value.,COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1,100.09000000000002
+137887,Please modify the molecule CCc1onc(C)c1NC(=O)N[C@H](C)c1cccc(C#N)c1 to decrease its MR value.,CCc1onc(C)c1NC(=O)N[C@H](C)c1cccc(C#N)c1,82.34440000000004
+145076,Modify the molecule C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2sc(C)cc2c1=O to have a lower MR value.,C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2sc(C)cc2c1=O,111.26410000000004
+239483,Please optimize the molecule CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc(N)cc(=O)[nH]1 to have a lower MR value.,CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc(N)cc(=O)[nH]1,76.201
+102319,Optimize the molecule CC/[NH+]=C(/NCc1[nH+]ccn1C)N1CC[C@@H](O)C1 to have a higher MR value.,CC/[NH+]=C(/NCc1[nH+]ccn1C)N1CC[C@@H](O)C1,67.51590000000003
+206257,Modify the molecule C[NH2+][C@H](C)c1ccn(Cc2nc3ccsc3c(=O)[nH]2)c1 to have a lower MR value.,C[NH2+][C@H](C)c1ccn(Cc2nc3ccsc3c(=O)[nH]2)c1,80.03910000000002
+198376,Please optimize the molecule COc1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccc(F)cc23)cc1 to have a higher MR value.,COc1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccc(F)cc23)cc1,101.48770000000003
+234605,Modify the molecule CC[C@H]1CCCC[C@@H]1Nc1cc(C)nc(COC)n1 to decrease its MR value.,CC[C@H]1CCCC[C@@H]1Nc1cc(C)nc(COC)n1,77.14170000000004
+225359,Optimize the molecule C[C@@H](CC(=O)[C@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 to have a higher MR value.,C[C@@H](CC(=O)[C@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1,106.79910000000001
+106224,Modify the molecule O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)[C@@H]1CC12CCOCC2 to decrease its MR value.,O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)[C@@H]1CC12CCOCC2,78.85450000000003
+140146,Please modify the molecule C[C@@H](NC(=O)CCc1csc(NC(=O)c2ccccc2)n1)c1ccccc1 to decrease its MR value.,C[C@@H](NC(=O)CCc1csc(NC(=O)c2ccccc2)n1)c1ccccc1,107.82990000000002
+28098,Please modify the molecule NC(=[NH2+])c1ccc(N2CC[NH+]3CCC[C@@H]3C2)c(F)c1 to decrease its MR value.,NC(=[NH2+])c1ccc(N2CC[NH+]3CCC[C@@H]3C2)c(F)c1,72.55350000000003
+44700,Modify the molecule CC1(C)CCC(NC(=O)N[C@H]2CCCC[C@@H]2CO)CC1 to have a higher MR value.,CC1(C)CCC(NC(=O)N[C@H]2CCCC[C@@H]2CO)CC1,80.53620000000005
+4617,Please optimize the molecule C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(=O)[nH]c3ccccc23)C1 to have a higher MR value.,C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(=O)[nH]c3ccccc23)C1,98.79480000000004
+116792,Modify the molecule C[NH+](CCO)Cc1nccc2ccccc12 to have a higher MR value.,C[NH+](CCO)Cc1nccc2ccccc12,64.28650000000003
+214961,Modify the molecule Cc1ccc(N2CC[C@H](C(=O)OC[C@H]3CCCCO3)C2=O)cc1 to increase its MR value.,Cc1ccc(N2CC[C@H](C(=O)OC[C@H]3CCCCO3)C2=O)cc1,86.18900000000005
+3650,Optimize the molecule CNC(=O)c1ccc(CN(C)C(=O)c2cc(OC)ccc2O)cc1 to have a lower MR value.,CNC(=O)c1ccc(CN(C)C(=O)c2cc(OC)ccc2O)cc1,90.28850000000003
+225398,Modify the molecule N#Cc1ccc(C[NH+](CC(F)F)C2CC2)o1 to have a higher MR value.,N#Cc1ccc(C[NH+](CC(F)F)C2CC2)o1,51.98270000000002
+114643,Optimize the molecule Cc1ncsc1C(=O)NNC(=O)N1CC[C@@H](OCCC(C)C)C1 to have a lower MR value.,Cc1ncsc1C(=O)NNC(=O)N1CC[C@@H](OCCC(C)C)C1,88.23390000000005
+19301,Please modify the molecule Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)s1 to decrease its MR value.,Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)s1,79.57640000000005
+165960,Please modify the molecule COc1ccc2c(c1)CCCN2C(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O to decrease its MR value.,COc1ccc2c(c1)CCCN2C(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O,98.95070000000005
+83304,Please optimize the molecule CCCCN(C)C(=O)COc1cc(C)nc(-c2ccc(Cl)cc2)n1 to have a lower MR value.,CCCCN(C)C(=O)COc1cc(C)nc(-c2ccc(Cl)cc2)n1,95.25500000000004
+50870,Modify the molecule COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1C(=O)[O-] to have a higher MR value.,COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1C(=O)[O-],88.84670000000003
+70628,Please optimize the molecule CC[C@](C)(CO)Nc1nc2ccc(F)cn2n1 to have a higher MR value.,CC[C@](C)(CO)Nc1nc2ccc(F)cn2n1,62.34950000000002
+173817,Please modify the molecule Fc1ccc(NC(=S)NNc2nc3ccccc3[nH]2)cc1 to increase its MR value.,Fc1ccc(NC(=S)NNc2nc3ccccc3[nH]2)cc1,85.4728
+100264,Modify the molecule O=C(CCCN1C(=O)c2ccccc2N[C@@H]1O)NC1=CC2=CC=N[C@@H]2C=C1 to have a lower MR value.,O=C(CCCN1C(=O)c2ccccc2N[C@@H]1O)NC1=CC2=CC=N[C@@H]2C=C1,102.07070000000003
+107071,Modify the molecule CC/C(=C\c1sc(Cl)nc1Cl)CO to have a higher MR value.,CC/C(=C\c1sc(Cl)nc1Cl)CO,57.487800000000014
+107916,Please modify the molecule CCOc1ccc([C@H](C)NC(=O)c2ccc(F)cc2F)cc1 to increase its MR value.,CCOc1ccc([C@H](C)NC(=O)c2ccc(F)cc2F)cc1,79.85020000000003
+132494,Optimize the molecule COCCNC(=O)Cc1csc(Nc2cc(C)ccn2)n1 to have a lower MR value.,COCCNC(=O)Cc1csc(Nc2cc(C)ccn2)n1,82.96040000000004
+149145,Please optimize the molecule C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](c1nccs1)C1CC1 to have a higher MR value.,C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](c1nccs1)C1CC1,88.12310000000005
+223425,Modify the molecule Cc1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(C(F)(F)F)nn1C1CC[NH+](C)CC1 to have a lower MR value.,Cc1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(C(F)(F)F)nn1C1CC[NH+](C)CC1,95.70620000000005
+123948,Modify the molecule Cn1ncc(NCc2ccc(-n3cnc4ccccc43)cc2)c(Cl)c1=O to have a lower MR value.,Cn1ncc(NCc2ccc(-n3cnc4ccccc43)cc2)c(Cl)c1=O,102.88470000000002
+210328,Modify the molecule Clc1ccc(-n2cc(C[NH2+][C@H]3CCOC3)cn2)cc1 to have a higher MR value.,Clc1ccc(-n2cc(C[NH2+][C@H]3CCOC3)cn2)cc1,73.42740000000003
+203182,Modify the molecule O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CCSCC1 to have a lower MR value.,O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CCSCC1,105.74940000000007
+164321,Please modify the molecule COc1cc(CC[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)ccc1O to increase its MR value.,COc1cc(CC[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)ccc1O,95.61920000000006
+204211,Modify the molecule CC(C)c1ccc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C(C)C)c1 to decrease its MR value.,CC(C)c1ccc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C(C)C)c1,101.71950000000004
+183474,Optimize the molecule COc1cccc2c1OC[C@@H](CNC(=O)CCc1ccccn1)C2 to have a lower MR value.,COc1cccc2c1OC[C@@H](CNC(=O)CCc1ccccn1)C2,91.25070000000005
+210445,Modify the molecule CC(=O)NCc1ccc(C(=O)NCCNC(=O)C2CC2)cc1 to increase its MR value.,CC(=O)NCc1ccc(C(=O)NCCNC(=O)C2CC2)cc1,82.02960000000004
+134224,Please optimize the molecule C[C@H](C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O to have a lower MR value.,C[C@H](C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O,97.64400000000006
+20372,Modify the molecule CCOc1ccc(F)c(C(=O)N2CCN(C)c3ccc(F)cc32)c1F to have a lower MR value.,CCOc1ccc(F)c(C(=O)N2CCN(C)c3ccc(F)cc32)c1F,88.87350000000005
+26763,Optimize the molecule Cc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nc3cc(C)on3)n2)cc1 to have a lower MR value.,Cc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nc3cc(C)on3)n2)cc1,102.41770000000001
+233578,Optimize the molecule CCC[NH2+][C@@H]1CCC[C@@H]([NH+](C)CC(C)C)C1 to have a lower MR value.,CCC[NH2+][C@@H]1CCC[C@@H]([NH+](C)CC(C)C)C1,69.71910000000005
+248816,Please modify the molecule C[C@H]1CCCC[C@H]1NC(=O)Cc1ccccc1F to decrease its MR value.,C[C@H]1CCCC[C@H]1NC(=O)Cc1ccccc1F,69.66670000000003
+226578,Optimize the molecule CCn1c(-c2ccccc2)c(-c2csc(CN3CCN(C(C)=O)CC3)n2)c2ccccc21 to have a lower MR value.,CCn1c(-c2ccccc2)c(-c2csc(CN3CCN(C(C)=O)CC3)n2)c2ccccc21,131.687
+191211,Please optimize the molecule Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 to have a higher MR value.,Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1,96.18040000000006
+194624,Please modify the molecule Cc1nn(C)c(Oc2cccc(-n3ccnc3)c2)c1[N+](=O)[O-] to decrease its MR value.,Cc1nn(C)c(Oc2cccc(-n3ccnc3)c2)c1[N+](=O)[O-],78.23740000000004
+141155,Modify the molecule Cc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cnn1-c1ccncc1 to increase its MR value.,Cc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cnn1-c1ccncc1,98.51850000000003
+136891,Optimize the molecule C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 to have a higher MR value.,C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1,103.05180000000006
+241867,Optimize the molecule CC[NH+]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 to have a lower MR value.,CC[NH+]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1,101.73360000000004
+166734,Modify the molecule O=C1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c2ccccc2N1 to have a higher MR value.,O=C1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c2ccccc2N1,89.55510000000002
+222488,Modify the molecule CN1CC[C@@H](NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1=O to have a lower MR value.,CN1CC[C@@H](NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1=O,85.30220000000003
+27202,Modify the molecule COc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)NCC2CC2)cc1 to increase its MR value.,COc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)NCC2CC2)cc1,105.18120000000005
+184865,Modify the molecule O=C1CN(c2ccc(NC(=O)NCc3cc4ccccc4o3)c[nH+]2)CCN1 to increase its MR value.,O=C1CN(c2ccc(NC(=O)NCc3cc4ccccc4o3)c[nH+]2)CCN1,100.29280000000004
+84040,Optimize the molecule CNC(=O)CNc1cccc(C(=O)N2CCC(C)CC2)c1 to have a higher MR value.,CNC(=O)CNc1cccc(C(=O)N2CCC(C)CC2)c1,83.29990000000004
+44099,Modify the molecule CCOC1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC1 to decrease its MR value.,CCOC1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC1,93.56820000000005
+12214,Modify the molecule C[C@H]1C[C@@](CO)(Nc2ccc(Cl)c(Br)c2)CCO1 to decrease its MR value.,C[C@H]1C[C@@](CO)(Nc2ccc(Cl)c(Br)c2)CCO1,77.23950000000004
+116785,Modify the molecule CC[C@H](C)Oc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 to increase its MR value.,CC[C@H](C)Oc1ccc(NC(=O)/C=C/C(=O)[O-])cc1,69.59970000000003
+171228,Please modify the molecule Cc1ccc(F)cc1NC(=O)[C@H](C)[S@](=O)Cc1ccc(C(C)C)cc1 to increase its MR value.,Cc1ccc(F)cc1NC(=O)[C@H](C)[S@](=O)Cc1ccc(C(C)C)cc1,101.60610000000004
+101019,Modify the molecule COC[C@H](N[C@@H](C)c1sc(C(C)C)nc1C)c1ccccc1 to have a lower MR value.,COC[C@H](N[C@@H](C)c1sc(C(C)C)nc1C)c1ccccc1,93.54970000000006
+18299,Please optimize the molecule COCC[C@@H](C)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 to have a higher MR value.,COCC[C@@H](C)C(=O)N1CC[C@@](O)(C(F)(F)F)C1,57.85880000000003
+23132,Optimize the molecule COC(=O)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C[C@@H]2CCCO2)C4)cc1 to have a higher MR value.,COC(=O)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C[C@@H]2CCCO2)C4)cc1,116.77500000000003
+126441,Optimize the molecule COc1cccc(C(=O)Nc2nn3c(COc4ccccc4)nnc3s2)c1 to have a higher MR value.,COc1cccc(C(=O)Nc2nn3c(COc4ccccc4)nnc3s2)c1,100.38020000000003
+12428,Please optimize the molecule [NH3+][C@@H](c1c(F)cccc1F)[C@@H]1CCOC2(CCOCC2)C1 to have a higher MR value.,[NH3+][C@@H](c1c(F)cccc1F)[C@@H]1CCOC2(CCOCC2)C1,73.44710000000003
+196538,Modify the molecule CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 to have a higher MR value.,CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1,68.81540000000005
+122549,Please optimize the molecule CCOC(=O)[C@H](F)OCc1ccc2c(c1)OCO2 to have a lower MR value.,CCOC(=O)[C@H](F)OCc1ccc2c(c1)OCO2,58.88300000000004
+111861,Modify the molecule O=C(CSc1nc(-c2cccs2)n[nH]1)c1ccc2c(c1)OCCCO2 to decrease its MR value.,O=C(CSc1nc(-c2cccs2)n[nH]1)c1ccc2c(c1)OCCCO2,96.79920000000003
+148485,Optimize the molecule N#CNC(=O)c1ccc(OC(F)(F)F)cc1 to have a higher MR value.,N#CNC(=O)c1ccc(OC(F)(F)F)cc1,46.2042
+111288,Please optimize the molecule [NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 to have a higher MR value.,[NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1,73.29080000000002
+2263,Modify the molecule CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@H]1c1ccco1 to decrease its MR value.,CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@H]1c1ccco1,82.57370000000004
+90736,Please modify the molecule O=C(Cc1ccccc1F)N1CCN(CN2C(=O)[C@@H]3CC[C@H]2C3)CC1 to increase its MR value.,O=C(Cc1ccccc1F)N1CCN(CN2C(=O)[C@@H]3CC[C@H]2C3)CC1,91.09900000000005
+37453,Modify the molecule Cc1nc(C2CCN(C(=O)CN3CCCOC3=O)CC2)no1 to increase its MR value.,Cc1nc(C2CCN(C(=O)CN3CCCOC3=O)CC2)no1,75.12800000000004
+44917,Please modify the molecule COC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(N)=O)cc2)cc1 to decrease its MR value.,COC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(N)=O)cc2)cc1,91.45510000000002
+171568,Modify the molecule O=C([O-])CCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 to increase its MR value.,O=C([O-])CCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1,108.88120000000004
+71226,Please modify the molecule C[NH2+]Cc1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 to decrease its MR value.,C[NH2+]Cc1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1,75.12620000000004
+100245,Optimize the molecule O=C(COc1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1 to have a higher MR value.,O=C(COc1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1,106.44820000000003
+110710,Modify the molecule CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CC(C)(C)O to have a lower MR value.,CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CC(C)(C)O,72.95490000000004
+175691,Please optimize the molecule O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 to have a higher MR value.,O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1,95.79350000000005
+86632,Modify the molecule C[C@@H]1C[NH+]2CCC[C@@H]2CN1c1cc[nH+]c(C(=O)NCc2ccccc2)c1 to have a lower MR value.,C[C@@H]1C[NH+]2CCC[C@@H]2CN1c1cc[nH+]c(C(=O)NCc2ccccc2)c1,101.13660000000004
+228738,Please optimize the molecule Cc1ccccc1[C@H]1C(=O)NC(=O)CC12CCCCC2 to have a higher MR value.,Cc1ccccc1[C@H]1C(=O)NC(=O)CC12CCCCC2,77.20470000000005
+9470,Please modify the molecule C#CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cc(F)cc(F)c21 to increase its MR value.,C#CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cc(F)cc(F)c21,106.86280000000006
+125626,Modify the molecule NNc1cccc(CSc2ccc3c(c2)CCC3)n1 to have a higher MR value.,NNc1cccc(CSc2ccc3c(c2)CCC3)n1,80.07510000000003
+67317,Optimize the molecule COc1ccc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)nn1 to have a lower MR value.,COc1ccc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)nn1,100.8242
+117776,Modify the molecule C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 to have a higher MR value.,C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1,96.40840000000006
+4656,Optimize the molecule Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCc3ccccc3C2)C1 to have a higher MR value.,Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCc3ccccc3C2)C1,114.05140000000004
+132027,Please optimize the molecule Cc1cccc(-n2ccnc2SCC(=O)Nc2cccnc2)c1C to have a higher MR value.,Cc1cccc(-n2ccnc2SCC(=O)Nc2cccnc2)c1C,96.62870000000002
+211571,Please optimize the molecule O=C(C[NH+]1CCCC[C@@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCO2 to have a lower MR value.,O=C(C[NH+]1CCCC[C@@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCO2,116.63510000000002
+61244,Please optimize the molecule COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cc2C)C1 to have a lower MR value.,COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cc2C)C1,86.22420000000004
+203258,Modify the molecule CC[C@]1(C(=O)[O-])CC[NH+](Cc2ccc(CC(C)C)cc2)C1 to decrease its MR value.,CC[C@]1(C(=O)[O-])CC[NH+](Cc2ccc(CC(C)C)cc2)C1,81.73270000000005
+121461,Optimize the molecule CC[NH+]1CCN(CCNC(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1 to have a higher MR value.,CC[NH+]1CCN(CCNC(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1,102.18710000000006
+82757,Please optimize the molecule COc1cc([C@H]2CN3C(=O)CNC(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C to have a lower MR value.,COc1cc([C@H]2CN3C(=O)CNC(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C,120.97440000000003
+93771,Modify the molecule C[NH+](CCN1CCOCC1)Cc1cccc(NC(=O)c2ccccc2Cl)c1 to decrease its MR value.,C[NH+](CCN1CCOCC1)Cc1cccc(NC(=O)c2ccccc2Cl)c1,108.56390000000005
+183618,Optimize the molecule O=C(N[C@H](CO)c1ccccc1F)c1cccc(N2CCCC2=O)c1 to have a lower MR value.,O=C(N[C@H](CO)c1ccccc1F)c1cccc(N2CCCC2=O)c1,91.72200000000004
+68486,Optimize the molecule C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Br)s2)o1 to have a higher MR value.,C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Br)s2)o1,96.81450000000002
+225712,Optimize the molecule C[C@H](O)[C@@H]1CCC[NH+]([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 to have a higher MR value.,C[C@H](O)[C@@H]1CCC[NH+]([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)C1,83.06190000000005
+213760,Please optimize the molecule C#CCN1C(=O)/C(=N/Nc2ccc(Cl)cc2)c2ccccc21 to have a lower MR value.,C#CCN1C(=O)/C(=N/Nc2ccc(Cl)cc2)c2ccccc21,89.23970000000003
+141456,Modify the molecule COc1ccc([C@@]2([NH3+])CCCc3ccc(OC)cc32)cc1 to increase its MR value.,COc1ccc([C@@]2([NH3+])CCCc3ccc(OC)cc32)cc1,82.59410000000004
+136343,Please modify the molecule COc1cc(F)cc2sc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)nc12 to decrease its MR value.,COc1cc(F)cc2sc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)nc12,103.75740000000002
+118688,Optimize the molecule CNC(=O)CC1CCN(C(=O)c2cc(F)c(Cl)nc2Cl)CC1 to have a lower MR value.,CNC(=O)CC1CCN(C(=O)c2cc(F)c(Cl)nc2Cl)CC1,81.52620000000002
+105440,Modify the molecule C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCO4)cc2)C[C@@H](C)O1 to have a lower MR value.,C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCO4)cc2)C[C@@H](C)O1,110.73800000000003
+82408,Optimize the molecule CN(c1cc(Cl)nc(N)n1)[C@H]1CCN(c2ccccc2F)C1=O to have a lower MR value.,CN(c1cc(Cl)nc(N)n1)[C@H]1CCN(c2ccccc2F)C1=O,87.01540000000004
+88098,Modify the molecule CC(=O)c1ccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 to have a lower MR value.,CC(=O)c1ccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1,107.87170000000003
+12856,Modify the molecule Cc1nc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c(C)s1 to decrease its MR value.,Cc1nc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c(C)s1,95.10090000000004
+202849,Please optimize the molecule CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C to have a higher MR value.,CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C,103.72340000000007
+208080,Modify the molecule O=C(/C=C/c1ccc([N+](=O)[O-])s1)N1CCc2ccccc2C1 to have a lower MR value.,O=C(/C=C/c1ccc([N+](=O)[O-])s1)N1CCc2ccccc2C1,85.57040000000003
+113859,Modify the molecule C[NH2+][C@H](C)c1ccc(Oc2cc(C)cc(C)c2)cc1 to decrease its MR value.,C[NH2+][C@H](C)c1ccc(Oc2cc(C)cc(C)c2)cc1,78.69640000000004
+226139,Please optimize the molecule COCc1c(C(=O)Nc2cccc(Cl)c2C)nnn1-c1ccccc1 to have a higher MR value.,COCc1c(C(=O)Nc2cccc(Cl)c2C)nnn1-c1ccccc1,96.2142
+189893,Optimize the molecule O=C(N[C@H]1CCc2c(O)cccc21)N[C@@H]1CCC[NH+](C2CCCCC2)C1 to have a lower MR value.,O=C(N[C@H]1CCc2c(O)cccc21)N[C@@H]1CCC[NH+](C2CCCCC2)C1,101.42790000000007
+9939,Please optimize the molecule CC[C@H](C)N1C(=O)[C@@H](C)NC(=O)C1(C)C to have a lower MR value.,CC[C@H](C)N1C(=O)[C@@H](C)NC(=O)C1(C)C,58.28270000000004
+170470,Modify the molecule CCOc1ccccc1NC(=O)C1C2CC3CC(C2)CC1C3 to increase its MR value.,CCOc1ccccc1NC(=O)C1C2CC3CC(C2)CC1C3,86.77570000000004
+193571,Modify the molecule Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1 to have a lower MR value.,Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1,74.69250000000005
+6874,Please modify the molecule Cc1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1C to decrease its MR value.,Cc1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1C,85.91820000000006
+163880,Modify the molecule O=C1S[C@H](Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1 to increase its MR value.,O=C1S[C@H](Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1,93.83569999999997
+193206,Modify the molecule CC[C@@H]1CCCCN1c1ncnc(Oc2cccc3ccccc23)c1N to decrease its MR value.,CC[C@@H]1CCCCN1c1ncnc(Oc2cccc3ccccc23)c1N,105.74240000000006
+7039,Modify the molecule COc1ccc(CC[NH+]2CCN([C@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 to decrease its MR value.,COc1ccc(CC[NH+]2CCN([C@H](C)C(=O)Nc3cc(C)no3)CC2)cc1,103.16640000000004
+54762,Please optimize the molecule C[C@@H]1CC[C@H](C(N)=O)CN1c1nnc(-c2ccccc2)s1 to have a lower MR value.,C[C@@H]1CC[C@H](C(N)=O)CN1c1nnc(-c2ccccc2)s1,84.07140000000003
+43718,Please modify the molecule C[NH2+][C@@H](Cc1nccs1)Cc1ccccc1Cl to decrease its MR value.,C[NH2+][C@@H](Cc1nccs1)Cc1ccccc1Cl,72.61140000000003
+22381,Optimize the molecule COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1 to have a higher MR value.,COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1,98.53020000000004
+239348,Modify the molecule C[C@@H]1c2cc3c(cc2OC(=O)[C@@H]1CC(=O)N1CC[C@H]2N=CN=C2C1)OC(C)(C)CC3 to decrease its MR value.,C[C@@H]1c2cc3c(cc2OC(=O)[C@@H]1CC(=O)N1CC[C@H]2N=CN=C2C1)OC(C)(C)CC3,112.53900000000004
+196067,Optimize the molecule Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 to have a lower MR value.,Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1,96.83320000000003
+209392,Modify the molecule N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc2ccccc12 to have a higher MR value.,N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc2ccccc12,107.26910000000001
+139382,Please modify the molecule C[C@H]1CN(Cc2ccc(C[NH2+]Cc3c(F)cccc3Cl)cc2)C[C@@H](C)O1 to decrease its MR value.,C[C@H]1CN(Cc2ccc(C[NH2+]Cc3c(F)cccc3Cl)cc2)C[C@@H](C)O1,102.47140000000005
+98518,Please modify the molecule Cc1noc(CN2CCN(CN3C(=O)C[C@](C)(CC(C)C)C3=O)CC2)n1 to increase its MR value.,Cc1noc(CN2CCN(CN3C(=O)C[C@](C)(CC(C)C)C3=O)CC2)n1,94.78400000000006
+155238,Optimize the molecule CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN2CCCC2=O)c1 to have a higher MR value.,CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN2CCCC2=O)c1,99.22350000000006
+167507,Please optimize the molecule C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1sccc1C#N to have a lower MR value.,C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1sccc1C#N,106.31670000000003
+5836,Please optimize the molecule COc1cccc2c1OC[C@@H](Cc1ccc(C)c(C)n1)C2 to have a lower MR value.,COc1cccc2c1OC[C@@H](Cc1ccc(C)c(C)n1)C2,83.09800000000004
+229042,Please optimize the molecule C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C to have a higher MR value.,C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C,97.92840000000005
+49149,Modify the molecule O=C1N=C2NC3=C(C(=O)CCC3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1 to decrease its MR value.,O=C1N=C2NC3=C(C(=O)CCC3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1,89.32080000000002
+122792,Modify the molecule C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 to increase its MR value.,C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1,78.27490000000003
+77597,Optimize the molecule CCc1cccc(-n2c(C)nc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 to have a lower MR value.,CCc1cccc(-n2c(C)nc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1,108.05100000000004
+33989,Optimize the molecule CN(C[C@H](O)C1CC1)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 to have a higher MR value.,CN(C[C@H](O)C1CC1)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1,89.31430000000005
+227069,Modify the molecule Cc1cc(F)c([C@H](O)c2cc(Br)ccc2Cl)cc1F to decrease its MR value.,Cc1cc(F)c([C@H](O)c2cc(Br)ccc2Cl)cc1F,74.3088
+154290,Please modify the molecule O=C(Nc1cnc(N2CCCCC2)nc1)c1ccccc1Cl to decrease its MR value.,O=C(Nc1cnc(N2CCCCC2)nc1)c1ccccc1Cl,87.50120000000004
+32544,Modify the molecule CCCCCC[C@H]1[NH+]=C2CCCCN2C1=[NH2+] to increase its MR value.,CCCCCC[C@H]1[NH+]=C2CCCCN2C1=[NH2+],66.00610000000003
+41440,Modify the molecule CCc1nc2ccccc2n1C1CC[NH+](CC(=O)NCC(C)C)CC1 to decrease its MR value.,CCc1nc2ccccc2n1C1CC[NH+](CC(=O)NCC(C)C)CC1,100.79340000000006
+227101,Modify the molecule Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C to decrease its MR value.,Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C,88.65270000000005
+72866,Modify the molecule Cc1ocnc1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 to decrease its MR value.,Cc1ocnc1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1,62.94390000000004
+205996,Please optimize the molecule COc1ccc(/C=C2\SC(/C=C(\[O-])c3ccncc3)=NC2=O)cc1OC(F)F to have a higher MR value.,COc1ccc(/C=C2\SC(/C=C(\[O-])c3ccncc3)=NC2=O)cc1OC(F)F,99.85000000000002
+65946,Please optimize the molecule CC(C)NC(=O)CN1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 to have a higher MR value.,CC(C)NC(=O)CN1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1,97.68340000000005
+9668,Modify the molecule CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 to have a lower MR value.,CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1,120.92759999999998
+108898,Optimize the molecule Cc1ccc2nc([C@H](C)Oc3c(C)cccc3C)[nH]c2c1 to have a lower MR value.,Cc1ccc2nc([C@H](C)Oc3c(C)cccc3C)[nH]c2c1,85.78970000000002
+117714,Modify the molecule COCc1nc(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)cs1 to increase its MR value.,COCc1nc(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)cs1,90.64670000000004
+41829,Optimize the molecule CC[C@@H](C)N(Cc1cccnc1)C(=O)c1cccc(-n2cnnc2)n1 to have a lower MR value.,CC[C@@H](C)N(Cc1cccnc1)C(=O)c1cccc(-n2cnnc2)n1,93.01750000000004
+24589,Optimize the molecule Cc1nn(CC(C)C)c(Cl)c1CN1CCOC[C@H]1C#N to have a lower MR value.,Cc1nn(CC(C)C)c(Cl)c1CN1CCOC[C@H]1C#N,77.44200000000005
+123613,Modify the molecule COc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1O to decrease its MR value.,COc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1O,78.47640000000001
+1086,Please modify the molecule C[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(C[NH+](C)C)c1 to increase its MR value.,C[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(C[NH+](C)C)c1,94.59540000000005
+87454,Modify the molecule COCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(O)c(OC)c1)N2 to have a higher MR value.,COCCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(O)c(OC)c1)N2,111.66170000000004
+215149,Please optimize the molecule CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)CNC(N)=O)CC1 to have a lower MR value.,CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)CNC(N)=O)CC1,93.16610000000004
+160384,Modify the molecule O=C(NC[C@H]1CN2CCCC[C@H]2CO1)NC[C@@H]1C[NH+]2CCN1CC2 to have a higher MR value.,O=C(NC[C@H]1CN2CCCC[C@H]2CO1)NC[C@@H]1C[NH+]2CCN1CC2,91.27810000000005
+184855,Optimize the molecule CC[C@H]1c2cccn2CCN1C(=O)c1cc(C[NH+]2CCC(O)CC2)on1 to have a lower MR value.,CC[C@H]1c2cccn2CCN1C(=O)c1cc(C[NH+]2CCC(O)CC2)on1,94.64500000000005
+36872,Optimize the molecule c1ccc(-c2nn3c(c2-c2ccc4nccnc4c2)CCC3)nc1 to have a higher MR value.,c1ccc(-c2nn3c(c2-c2ccc4nccnc4c2)CCC3)nc1,92.31100000000004
+218216,Please optimize the molecule CCC[C@@H](O)c1ccn(CC(=O)Nc2ccc(Cl)cc2)c1 to have a higher MR value.,CCC[C@@H](O)c1ccn(CC(=O)Nc2ccc(Cl)cc2)c1,84.38150000000003
+203012,Please modify the molecule N#Cc1ccc(NC(=O)C2CCC2)cc1Cl to decrease its MR value.,N#Cc1ccc(NC(=O)C2CCC2)cc1Cl,62.137700000000024
+37733,Optimize the molecule C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCC(C)(C)c1ccncc1 to have a lower MR value.,C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCC(C)(C)c1ccncc1,97.88950000000004
+238887,Modify the molecule CC[C@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)c1cccc([N+](=O)[O-])c1 to increase its MR value.,CC[C@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)c1cccc([N+](=O)[O-])c1,96.08880000000005
+30014,Modify the molecule Cc1cc(NC(=O)C(=O)N[C@@H](C)c2nc(C)cs2)c2ncccc2c1 to have a higher MR value.,Cc1cc(NC(=O)C(=O)N[C@@H](C)c2nc(C)cs2)c2ncccc2c1,98.51840000000001
+151170,Optimize the molecule COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1O to have a higher MR value.,COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1O,93.38630000000003
+242319,Please modify the molecule C[NH2+][C@@H]1CCN(C2C(C)(C)C2(C)C)C1=O to decrease its MR value.,C[NH2+][C@@H]1CCN(C2C(C)(C)C2(C)C)C1=O,59.31740000000004
+237875,Modify the molecule O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1=NN(c2ccccc2)C(=O)CC1 to decrease its MR value.,O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1=NN(c2ccccc2)C(=O)CC1,115.06570000000004
+84100,Modify the molecule O=C(C1=Cc2cc(F)ccc2OC1)N1CCCN(c2ncccn2)CC1 to decrease its MR value.,O=C(C1=Cc2cc(F)ccc2OC1)N1CCCN(c2ncccn2)CC1,95.31400000000004
+12701,Optimize the molecule Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)n(-c2ccccc2)n1 to have a lower MR value.,Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)n(-c2ccccc2)n1,105.60119999999999
+18409,Modify the molecule C[C@H](CNS(=O)(=O)CCC(=O)[O-])c1ccccc1 to decrease its MR value.,C[C@H](CNS(=O)(=O)CCC(=O)[O-])c1ccccc1,66.27050000000003
+76312,Modify the molecule N#Cc1ccc(NC(=O)C2(c3cc(-c4ccccc4F)on3)CC2)cc1 to have a higher MR value.,N#Cc1ccc(NC(=O)C2(c3cc(-c4ccccc4F)on3)CC2)cc1,92.59570000000001
+52954,Modify the molecule C[C@@H]1CN([C@@H]2CCC[C@@](CO)([NH2+]C3CC3)C2)C[C@@H](C)O1 to increase its MR value.,C[C@@H]1CN([C@@H]2CCC[C@@](CO)([NH2+]C3CC3)C2)C[C@@H](C)O1,78.60220000000007
+108060,Please optimize the molecule COc1ccc(CN2C(=O)O[C@@H]3CN(Cc4cc(C)cc(C)c4)C[C@@H]32)cc1OC to have a higher MR value.,COc1ccc(CN2C(=O)O[C@@H]3CN(Cc4cc(C)cc(C)c4)C[C@@H]32)cc1OC,110.33900000000004
+129941,Modify the molecule O=C(Nc1ccccc1C(=O)[O-])c1ccncc1 to increase its MR value.,O=C(Nc1ccccc1C(=O)[O-])c1ccncc1,62.96270000000002
+174962,Please optimize the molecule O=C(c1cccc([N+](=O)[O-])c1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 to have a higher MR value.,O=C(c1cccc([N+](=O)[O-])c1)N1CCN=C1SCc1cccc(C(F)(F)F)c1,99.17390000000002
+4427,Optimize the molecule CS[C@H]1CC[C@@H](NC(=O)NCC2(Sc3ccccc3)CC2)C1 to have a lower MR value.,CS[C@H]1CC[C@@H](NC(=O)NCC2(Sc3ccccc3)CC2)C1,95.74040000000005
+32293,Please modify the molecule CC(C)C[NH+]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 to decrease its MR value.,CC(C)C[NH+]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1,76.67810000000004
+187919,Modify the molecule O=S(=O)(Cc1ccccc1)[N-]/N=C1\CCCOc2cc(Br)ccc21 to have a lower MR value.,O=S(=O)(Cc1ccccc1)[N-]/N=C1\CCCOc2cc(Br)ccc21,97.83280000000003
+191816,Modify the molecule CNS(=O)(=O)c1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(C)o1 to decrease its MR value.,CNS(=O)(=O)c1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(C)o1,95.19740000000004
+138233,Please modify the molecule CS(=O)(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccncc3)=NN12 to decrease its MR value.,CS(=O)(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccncc3)=NN12,113.12280000000003
+154865,Please modify the molecule Cc1cc(C(=O)NC2CCS(=O)(=O)CC2)c2ccccc2n1 to increase its MR value.,Cc1cc(C(=O)NC2CCS(=O)(=O)CC2)c2ccccc2n1,85.62200000000004
+53210,Modify the molecule Cc1ccc(-n2nc(C)cc2NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)nn1 to have a higher MR value.,Cc1ccc(-n2nc(C)cc2NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)nn1,99.55770000000003
+212790,Modify the molecule CN(C)c1cc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)ncn1 to have a higher MR value.,CN(C)c1cc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)ncn1,109.12700000000004
+85338,Modify the molecule CC(C)NS(=O)(=O)[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 to have a higher MR value.,CC(C)NS(=O)(=O)[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1,82.27550000000002
+156420,Modify the molecule CC/N=C1/S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC to have a lower MR value.,CC/N=C1/S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC,91.43270000000003
+59479,Please optimize the molecule C[NH+](C)CCNc1cc(-c2ncccc2C(F)(F)F)c2cc[nH]c2n1 to have a lower MR value.,C[NH+](C)CCNc1cc(-c2ncccc2C(F)(F)F)c2cc[nH]c2n1,90.49410000000003
+139323,Modify the molecule CC(C)[C@H]1NC(=O)c2ccccc2N(CC(F)F)C1=O to have a lower MR value.,CC(C)[C@H]1NC(=O)c2ccccc2N(CC(F)F)C1=O,70.89120000000003
+157394,Please modify the molecule C[C@H]1Sc2ccc(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2NC1=O to decrease its MR value.,C[C@H]1Sc2ccc(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2NC1=O,116.73160000000003
+100070,Please modify the molecule COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4c(OC)cccc4OC)s3)CC2=O)cc1 to increase its MR value.,COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4c(OC)cccc4OC)s3)CC2=O)cc1,120.11320000000003
+208183,Modify the molecule COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H](C)NC(=O)C1CCC1 to have a higher MR value.,COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H](C)NC(=O)C1CCC1,85.46740000000005
+134673,Please modify the molecule CC(C)CCOC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 to increase its MR value.,CC(C)CCOC(=O)C1=CC=CN2CCS(=O)(=O)N=C12,75.56480000000002
+154820,Please modify the molecule COc1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)cc1Cl to decrease its MR value.,COc1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)cc1Cl,97.37370000000003
+170580,Modify the molecule C[C@H](C1CC1)[NH+](CCn1c(=O)oc2cccnc21)C1CC1 to increase its MR value.,C[C@H](C1CC1)[NH+](CCn1c(=O)oc2cccnc21)C1CC1,79.30670000000003
+167266,Modify the molecule Cc1cc(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n2ncnc2n1 to have a lower MR value.,Cc1cc(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n2ncnc2n1,102.66370000000005
+103796,Please optimize the molecule C[C@H](O)[C@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 to have a lower MR value.,C[C@H](O)[C@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2,73.13520000000005
+141336,Please modify the molecule CC/[NH+]=C(/NC[C@@H]1CCC[C@H]1O)N1CCC(C(=O)OC)CC1 to decrease its MR value.,CC/[NH+]=C(/NC[C@@H]1CCC[C@H]1O)N1CCC(C(=O)OC)CC1,84.17420000000004
+20848,Optimize the molecule COC1CC[NH+]([C@@H](C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 to have a higher MR value.,COC1CC[NH+]([C@@H](C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1,103.56310000000008
+192512,Modify the molecule O=C(NCCc1nccs1)c1cc2cc(C(F)(F)F)ccc2s1 to increase its MR value.,O=C(NCCc1nccs1)c1cc2cc(C(F)(F)F)ccc2s1,84.97820000000002
+198429,Modify the molecule COc1ccc2[nH]cc(C3=CC[NH+](Cc4nc(CC(F)(F)F)no4)CC3)c2c1 to decrease its MR value.,COc1ccc2[nH]cc(C3=CC[NH+](Cc4nc(CC(F)(F)F)no4)CC3)c2c1,95.90240000000001
+216949,Please modify the molecule CC(C)n1nccc1NC(=O)[C@@H](C)SC1=NCCS1 to decrease its MR value.,CC(C)n1nccc1NC(=O)[C@@H](C)SC1=NCCS1,83.05470000000003
+210962,Optimize the molecule COc1cc(CCNC(=O)CCc2c(C)nc3ncnn3c2C)ccc1C to have a higher MR value.,COc1cc(CCNC(=O)CCc2c(C)nc3ncnn3c2C)ccc1C,103.02170000000004
+214906,Modify the molecule Cc1ccc(CN(C)C(=O)CN(CC#N)c2ccccc2)o1 to have a higher MR value.,Cc1ccc(CN(C)C(=O)CN(CC#N)c2ccccc2)o1,84.18700000000005
+197093,Modify the molecule O=C(NC1CCCCC1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 to decrease its MR value.,O=C(NC1CCCCC1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1,91.59420000000004
+219928,Please modify the molecule O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)[C@@H]1CCC[NH+]1C1CCOCC1 to increase its MR value.,O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)[C@@H]1CCC[NH+]1C1CCOCC1,102.96410000000007
+140098,Please optimize the molecule CCc1c(C)[nH]c2ccc(C(=O)NCc3nccn3C)cc12 to have a lower MR value.,CCc1c(C)[nH]c2ccc(C(=O)NCc3nccn3C)cc12,86.79190000000004
+37649,Please optimize the molecule O=C1CC[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CN1 to have a higher MR value.,O=C1CC[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CN1,84.74010000000004
+113414,Please optimize the molecule CC1CCC(Oc2cc(CNC(=O)N[C@H](C)CO)ccn2)CC1 to have a higher MR value.,CC1CCC(Oc2cc(CNC(=O)N[C@H](C)CO)ccn2)CC1,88.20420000000004
+104217,Optimize the molecule C[C@H](NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1)c1cc2ccccc2o1 to have a lower MR value.,C[C@H](NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1)c1cc2ccccc2o1,94.52640000000002
+63502,Modify the molecule CN(Cc1ccsc1)C(=O)NC1CCN(c2ncccn2)CC1 to increase its MR value.,CN(Cc1ccsc1)C(=O)NC1CCN(c2ncccn2)CC1,91.58470000000005
+144764,Modify the molecule C#CCOc1ccc(F)cc1NCC(=O)N1CCCCCC1 to have a higher MR value.,C#CCOc1ccc(F)cc1NCC(=O)N1CCCCCC1,84.26570000000004
+27125,Modify the molecule CC[C@@](C)(O)c1cc(Br)ccc1F to increase its MR value.,CC[C@@](C)(O)c1cc(Br)ccc1F,53.961800000000025
+905,Please optimize the molecule CCc1ccsc1-c1cnc(C[NH3+])o1 to have a higher MR value.,CCc1ccsc1-c1cnc(C[NH3+])o1,55.78610000000001
+92397,Please modify the molecule O=C(c1cc(-c2cccnc2)[nH]n1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 to increase its MR value.,O=C(c1cc(-c2cccnc2)[nH]n1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,123.93820000000002
+70590,Optimize the molecule Cc1ccc(C)n1N1C[C@@H](C)N(N=O)C[C@@H]1C to have a lower MR value.,Cc1ccc(C)n1N1C[C@@H](C)N(N=O)C[C@@H]1C,68.41500000000003
+163142,Optimize the molecule CCc1ccc(N2C(=O)C[NH+](Cc3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 to have a higher MR value.,CCc1ccc(N2C(=O)C[NH+](Cc3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1,110.24850000000004
+138522,Modify the molecule CC(=O)Nc1ccccc1CN1CCO[C@@H](c2ccccc2C)C1 to decrease its MR value.,CC(=O)Nc1ccccc1CN1CCO[C@@H](c2ccccc2C)C1,95.89470000000006
+235876,Please optimize the molecule COc1ccc([C@@H](O)[C@H](C)N[C@@H](C)c2cnc(C)s2)cc1 to have a lower MR value.,COc1ccc([C@@H](O)[C@H](C)N[C@@H](C)c2cnc(C)s2)cc1,85.81750000000004
+47494,Modify the molecule Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCS[C@@H](C)[C@@H]1C to have a higher MR value.,Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCS[C@@H](C)[C@@H]1C,86.73630000000004
+44873,Modify the molecule CCc1nnc(CSc2nc3ccccc3[nH]2)o1 to decrease its MR value.,CCc1nnc(CSc2nc3ccccc3[nH]2)o1,69.33070000000002
+202334,Please optimize the molecule CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 to have a lower MR value.,CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1,73.60470000000005
+48301,Modify the molecule COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 to have a lower MR value.,COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1,97.03000000000006
+226576,Please modify the molecule CCOC(=O)[C@]1(C(F)(F)F)N=C(N(C)C)Oc2c1c(C)nn2-c1ccccc1 to decrease its MR value.,CCOC(=O)[C@]1(C(F)(F)F)N=C(N(C)C)Oc2c1c(C)nn2-c1ccccc1,94.41700000000003
+181043,Please optimize the molecule COC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)cc1 to have a lower MR value.,COC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)cc1,106.08540000000004
+113759,Please optimize the molecule CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(c3ncccn3)CC2)c1=S to have a lower MR value.,CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(c3ncccn3)CC2)c1=S,112.98900000000002
+44271,Modify the molecule C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C2C[C@H](C)O[C@H](C)C2)C1 to increase its MR value.,C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C2C[C@H](C)O[C@H](C)C2)C1,87.36800000000007
+15743,Please modify the molecule CC(=O)c1cccc(N2/C(=N/C(=O)c3ccc4c(c3)OCO4)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 to increase its MR value.,CC(=O)c1cccc(N2/C(=N/C(=O)c3ccc4c(c3)OCO4)S[C@@H]3CS(=O)(=O)C[C@H]32)c1,117.07680000000002
+109068,Modify the molecule CC[C@@H](COC)NC(=O)NC[C@H]1CCC[NH+]1CC to have a lower MR value.,CC[C@@H](COC)NC(=O)NC[C@H]1CCC[NH+]1CC,71.88210000000004
+37898,Please modify the molecule CCC[NH2+][C@H](c1ccco1)[C@@H]1CSCCO1 to increase its MR value.,CCC[NH2+][C@H](c1ccco1)[C@@H]1CSCCO1,65.59740000000004
+138835,Modify the molecule C[C@@H]([NH3+])c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cc1 to increase its MR value.,C[C@@H]([NH3+])c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cc1,78.27180000000004
+196629,Modify the molecule C[C@H](Sc1ncc2ccccn12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 to increase its MR value.,C[C@H](Sc1ncc2ccccn12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1,113.34510000000002
+31981,Modify the molecule Cc1c(C(=O)N[C@H]2C=CCCC2)cnn1C(C)C to increase its MR value.,Cc1c(C(=O)N[C@H]2C=CCCC2)cnn1C(C)C,71.59420000000003
+248122,Modify the molecule CC1(C)CCCC[C@@H]1Nc1cccc(-n2cnnc2)c1 to decrease its MR value.,CC1(C)CCCC[C@@H]1Nc1cccc(-n2cnnc2)c1,81.01870000000004
+2741,Please modify the molecule CCn1c2ccccc2c2cc(C[NH2+]CCNC(=O)c3nonc3N)ccc21 to increase its MR value.,CCn1c2ccccc2c2cc(C[NH2+]CCNC(=O)c3nonc3N)ccc21,106.65800000000003
+26805,Please modify the molecule Cc1ccc[nH+]c1N1CCN(C(=O)CCn2nc(C)c(C)c2C)CC1 to increase its MR value.,Cc1ccc[nH+]c1N1CCN(C(=O)CCn2nc(C)c(C)c2C)CC1,97.58270000000005
+4267,Modify the molecule Cc1ccc(C[C@H](Br)c2ccc(Cl)cc2Cl)nc1 to have a higher MR value.,Cc1ccc(C[C@H](Br)c2ccc(Cl)cc2Cl)nc1,80.80800000000002
+84132,Optimize the molecule CCC[C@@H](C)NC(=O)NCc1nnc2ccccn12 to have a lower MR value.,CCC[C@@H](C)NC(=O)NCc1nnc2ccccn12,72.72840000000004
+122920,Modify the molecule c1ccc(-n2nccc2-c2cccc3ccccc23)cc1 to have a lower MR value.,c1ccc(-n2nccc2-c2cccc3ccccc23)cc1,86.50600000000003
+5843,Modify the molecule COc1cccc(C(=O)N[C@@H](C)c2ccc(C)o2)n1 to decrease its MR value.,COc1cccc(C(=O)N[C@@H](C)c2ccc(C)o2)n1,70.11520000000003
+202688,Modify the molecule C[NH2+][C@@]1(C(=O)[O-])CCC[C@H](n2cc(I)cn2)C1 to have a lower MR value.,C[NH2+][C@@]1(C(=O)[O-])CCC[C@H](n2cc(I)cn2)C1,68.03640000000001
+240369,Modify the molecule CCc1cc(C(=O)N2CCC[C@@H](C)C2)c2c(C3CC3)nn(-c3ccccc3F)c2n1 to decrease its MR value.,CCc1cc(C(=O)N2CCC[C@@H](C)C2)c2c(C3CC3)nn(-c3ccccc3F)c2n1,114.47750000000005
+199160,Please modify the molecule O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@H]1CC(=O)N(C2CC2)C1 to increase its MR value.,O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@H]1CC(=O)N(C2CC2)C1,103.51210000000006
+108998,Please modify the molecule Cc1n[nH]c(-c2cccc(CN[C@@H](C)c3sc(C(C)(C)C)nc3C)c2)n1 to decrease its MR value.,Cc1n[nH]c(-c2cccc(CN[C@@H](C)c3sc(C(C)(C)C)nc3C)c2)n1,107.36140000000006
+198390,Optimize the molecule Cc1cnn(C[C@H]2CCCN2C(=O)c2cccc(-n3ccc(C)n3)c2)c1 to have a lower MR value.,Cc1cnn(C[C@H]2CCCN2C(=O)c2cccc(-n3ccc(C)n3)c2)c1,99.32350000000004
+80486,Please modify the molecule Cc1cc(F)ccc1CCNC(=O)C(=O)Nc1ccccc1 to increase its MR value.,Cc1cc(F)ccc1CCNC(=O)C(=O)Nc1ccccc1,82.92240000000002
+35716,Please optimize the molecule CCC[NH2+][C@@H]1CCCCCC[C@H]1S[C@@H](C)CCO to have a higher MR value.,CCC[NH2+][C@@H]1CCCCCC[C@H]1S[C@@H](C)CCO,81.11720000000005
+83665,Modify the molecule COc1ccc(OC)c(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)c1 to increase its MR value.,COc1ccc(OC)c(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)c1,104.98570000000002
+238626,Modify the molecule COc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 to have a higher MR value.,COc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1,91.05270000000006
+171267,Modify the molecule O=C(Cl)c1cc(Cl)ccc1OCc1cccc(F)c1 to decrease its MR value.,O=C(Cl)c1cc(Cl)ccc1OCc1cccc(F)c1,72.36750000000002
+158654,Modify the molecule C[C@H]1OCC[C@H]1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 to have a lower MR value.,C[C@H]1OCC[C@H]1C(=O)N1CCC(Nc2ccc(F)cc2)CC1,83.14570000000005
+167309,Modify the molecule NNC(=S)C12CC3CC(CC(C3)C1)C2 to increase its MR value.,NNC(=S)C12CC3CC(CC(C3)C1)C2,60.52610000000003
+219750,Please modify the molecule C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)c1nonc1N to decrease its MR value.,C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)c1nonc1N,62.92760000000002
+113195,Please optimize the molecule COCCN1C[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1=O to have a lower MR value.,COCCN1C[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1=O,89.21640000000004
+77529,Please modify the molecule c1ccc(-c2csc(C[C@]3(C4CC4)CCC[NH2+]3)n2)cc1 to decrease its MR value.,c1ccc(-c2csc(C[C@]3(C4CC4)CCC[NH2+]3)n2)cc1,82.73540000000004
+167237,Modify the molecule Cc1ccncc1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 to decrease its MR value.,Cc1ccncc1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1,101.12140000000007
+248399,Modify the molecule CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc2c(c1)OCCO2 to increase its MR value.,CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc2c(c1)OCCO2,82.67270000000005
+77769,Modify the molecule Cc1cc(C)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccccc2)c(C)c1 to decrease its MR value.,Cc1cc(C)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccccc2)c(C)c1,138.90469999999988
+3562,Optimize the molecule Cc1ccc(=O)n(CC(=O)NCc2cccs2)n1 to have a higher MR value.,Cc1ccc(=O)n(CC(=O)NCc2cccs2)n1,69.39970000000002
+72924,Modify the molecule CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@H](C)C1 to have a higher MR value.,CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@H](C)C1,94.61820000000004
+35202,Modify the molecule CC[C@@](C)(C[NH3+])[C@H](O)c1ccc(C)cc1 to have a higher MR value.,CC[C@@](C)(C[NH3+])[C@H](O)c1ccc(C)cc1,62.29190000000004
+202308,Please optimize the molecule Cc1cc(NC(=O)[C@H]2COc3ccccc3C2)n(C)n1 to have a lower MR value.,Cc1cc(NC(=O)[C@H]2COc3ccccc3C2)n(C)n1,75.70570000000002
+72595,Modify the molecule C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(F)cccc1F to have a lower MR value.,C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(F)cccc1F,94.31370000000005
+164963,Optimize the molecule C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(Br)s1 to have a lower MR value.,C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(Br)s1,90.34270000000002
+66892,Modify the molecule COc1cccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)n1 to decrease its MR value.,COc1cccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)n1,79.74420000000003
+237543,Please optimize the molecule c1cc2c(cc1N[C@H]1CCO[C@@]3(CCOC3)C1)OCO2 to have a lower MR value.,c1cc2c(cc1N[C@H]1CCO[C@@]3(CCOC3)C1)OCO2,73.32870000000004
+176564,Optimize the molecule CC(C)n1nccc1NC(=O)c1cccc(-n2cccc2)c1 to have a lower MR value.,CC(C)n1nccc1NC(=O)c1cccc(-n2cccc2)c1,86.33420000000004
+72758,Please optimize the molecule CC[C@@H](C)NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O to have a lower MR value.,CC[C@@H](C)NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O,107.56920000000007
+61001,Optimize the molecule O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1)c1ccc2c(c1)OCO2 to have a lower MR value.,O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1)c1ccc2c(c1)OCO2,104.34250000000003
+169968,Optimize the molecule COc1ccc2c(c1)[C@H]([NH3+])[C@H](N1CC[NH+](C)CC1)C2 to have a higher MR value.,COc1ccc2c(c1)[C@H]([NH3+])[C@H](N1CC[NH+](C)CC1)C2,74.30880000000005
+194432,Please optimize the molecule CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NC[C@@H]1CCC[C@@H]1O to have a higher MR value.,CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NC[C@@H]1CCC[C@@H]1O,75.29820000000004
+93161,Please modify the molecule O=C(Cc1ccc2ccccc2c1)N[C@@H]1CCc2ccccc2C1 to increase its MR value.,O=C(Cc1ccc2ccccc2c1)N[C@@H]1CCc2ccccc2C1,98.04970000000004
+35884,Please modify the molecule C[NH+](C)[C@@H]1CCCN(Cc2cc(C(N)=O)cs2)C1 to increase its MR value.,C[NH+](C)[C@@H]1CCCN(Cc2cc(C(N)=O)cs2)C1,73.94660000000003
+191563,Modify the molecule CCCC(=O)N1CCC(C(=O)N2c3ccccc3OC[C@@H]2C)CC1 to have a lower MR value.,CCCC(=O)N1CCC(C(=O)N2c3ccccc3OC[C@@H]2C)CC1,93.09700000000007
+175018,Optimize the molecule CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 to have a lower MR value.,CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1,110.84970000000004
+104257,Please optimize the molecule CCNC(=O)COc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 to have a higher MR value.,CCNC(=O)COc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1,96.87260000000002
+220,Optimize the molecule O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1C=CS(=O)(=O)C1 to have a lower MR value.,O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1C=CS(=O)(=O)C1,60.87390000000003
+78794,Modify the molecule CCOc1cccc2c1[C@@H](C)[C@H](C)[C@@H]2O to have a lower MR value.,CCOc1cccc2c1[C@@H](C)[C@H](C)[C@@H]2O,60.14980000000004
+132769,Modify the molecule Cc1cc(Br)c(S(=O)(=O)NCC[NH+]2CCOCC2)cc1C to decrease its MR value.,Cc1cc(Br)c(S(=O)(=O)NCC[NH+]2CCOCC2)cc1C,85.18720000000005
+62,Please optimize the molecule O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(Cc2ccccc2)CC1 to have a lower MR value.,O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(Cc2ccccc2)CC1,106.7609
+234144,Please optimize the molecule Cc1nnc2sc(SCc3ccccc3Cl)nn2c1=O to have a higher MR value.,Cc1nnc2sc(SCc3ccccc3Cl)nn2c1=O,80.67900000000004
+197916,Modify the molecule COc1ccc(OCCOC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 to increase its MR value.,COc1ccc(OCCOC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1,88.79750000000004
+89457,Modify the molecule COc1ccc2c(c1)=C1CCN[C@H]([C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)N(C)[C@H]3O)[C@H]1[NH+]=2 to have a lower MR value.,COc1ccc2c(c1)=C1CCN[C@H]([C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)N(C)[C@H]3O)[C@H]1[NH+]=2,117.50720000000003
+173299,Please modify the molecule Cc1cc(CN(C)C(=O)[C@H]2Cc3ccccc3C(=O)O2)no1 to increase its MR value.,Cc1cc(CN(C)C(=O)[C@H]2Cc3ccccc3C(=O)O2)no1,77.06350000000003
+234963,Modify the molecule CCc1nc(CC(=O)N2CCOC[C@H]2c2ncon2)cs1 to decrease its MR value.,CCc1nc(CC(=O)N2CCOC[C@H]2c2ncon2)cs1,74.76700000000004
+93779,Modify the molecule CC[C@@H](C)C[C@H](C)Nc1c(F)c(F)nc(F)c1F to have a lower MR value.,CC[C@@H](C)C[C@H](C)Nc1c(F)c(F)nc(F)c1F,61.22570000000002
+52993,Modify the molecule [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC[C@H](CO)C2)C1 to have a higher MR value.,[NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC[C@H](CO)C2)C1,60.312900000000035
+245231,Modify the molecule CC(C)[NH2+][C@]1(CO)CC[C@@H](Sc2nncs2)C1 to decrease its MR value.,CC(C)[NH2+][C@]1(CO)CC[C@@H](Sc2nncs2)C1,70.28320000000004
+157154,Optimize the molecule CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1cccc2ccccc12 to have a higher MR value.,CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1cccc2ccccc12,105.10750000000003
+10243,Optimize the molecule CNC(=O)CC1CCN(C(=O)CCc2ccccc2)CC1 to have a higher MR value.,CNC(=O)CC1CCN(C(=O)CCc2ccccc2)CC1,82.75070000000005
+139347,Please modify the molecule CC(C)C[C@]1(C)C[NH+]=C(N)N1C[C@H]1CCCO1 to increase its MR value.,CC(C)C[C@]1(C)C[NH+]=C(N)N1C[C@H]1CCCO1,68.56410000000004
+4991,Please optimize the molecule CC(C)(C)Oc1ccc(C(=O)NC[C@H](O)Cc2ccccc2)cc1 to have a higher MR value.,CC(C)(C)Oc1ccc(C(=O)NC[C@H](O)Cc2ccccc2)cc1,95.30900000000004
+199118,Please optimize the molecule Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 to have a lower MR value.,Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1,120.03910000000002
+178297,Optimize the molecule Cc1cccnc1N1N=C(C(C)C)N[C@H]1c1cc(=O)[nH]c2ccc(F)cc12 to have a higher MR value.,Cc1cccnc1N1N=C(C(C)C)N[C@H]1c1cc(=O)[nH]c2ccc(F)cc12,104.12940000000003
+48770,Modify the molecule CCc1ccc(CC)c(NC(=O)c2cc(OC)c(S(N)(=O)=O)s2)c1 to have a higher MR value.,CCc1ccc(CC)c(NC(=O)c2cc(OC)c(S(N)(=O)=O)s2)c1,95.39540000000004
+48736,Optimize the molecule CC[C@@H](NS(=O)(=O)c1cccc(F)c1)c1nc(-c2ccccc2)c[nH]1 to have a lower MR value.,CC[C@@H](NS(=O)(=O)c1cccc(F)c1)c1nc(-c2ccccc2)c[nH]1,93.77720000000002
+52855,Please optimize the molecule CCn1cc(S(=O)(=O)N(C)Cc2nn(CC)cc2Br)cn1 to have a higher MR value.,CCn1cc(S(=O)(=O)N(C)Cc2nn(CC)cc2Br)cn1,82.15480000000002
+131934,Optimize the molecule COc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH3+])CC1)CCC2 to have a lower MR value.,COc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH3+])CC1)CCC2,79.53050000000005
+248504,Modify the molecule Cc1cc(CC[NH3+])nc(-c2c(F)ccc([N+](=O)[O-])c2F)n1 to have a lower MR value.,Cc1cc(CC[NH3+])nc(-c2c(F)ccc([N+](=O)[O-])c2F)n1,70.2345
+77367,Modify the molecule COC(=O)c1cc(Br)cc([N+](=O)[O-])c1F to decrease its MR value.,COC(=O)c1cc(Br)cc([N+](=O)[O-])c1F,52.0939
+208989,Modify the molecule CCN(CC)C(=O)c1cccc(NC(=O)CNc2cccc(C)c2C)c1 to have a higher MR value.,CCN(CC)C(=O)c1cccc(NC(=O)CNc2cccc(C)c2C)c1,106.72890000000004
+108447,Modify the molecule Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2C)cc1 to decrease its MR value.,Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2C)cc1,106.37570000000001
+163488,Please modify the molecule Cc1cc2c(NCc3ccc4c(c3)OCCO4)ncnc2s1 to decrease its MR value.,Cc1cc2c(NCc3ccc4c(c3)OCCO4)ncnc2s1,86.91070000000003
+241930,Please modify the molecule CS(=O)(=O)Nc1ccccc1NC(=O)CCC1CCCC1 to increase its MR value.,CS(=O)(=O)Nc1ccccc1NC(=O)CCC1CCCC1,84.73020000000004
+124921,Please optimize the molecule CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 to have a lower MR value.,CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1,107.26210000000007
+100304,Please optimize the molecule COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F to have a lower MR value.,COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F,87.72770000000004
+162309,Please optimize the molecule CCC1=C(C)[C@H](C(=O)N2CCn3nc(C(=O)NCCO)cc3C2)N=N1 to have a lower MR value.,CCC1=C(C)[C@H](C(=O)N2CCn3nc(C(=O)NCCO)cc3C2)N=N1,88.69800000000002
+173539,Please modify the molecule CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC(C)CC3)cc2C[C@@H]1C to decrease its MR value.,CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC(C)CC3)cc2C[C@@H]1C,132.00150000000002
+11374,Please optimize the molecule Cc1cc(CSc2ccccc2C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)on1 to have a lower MR value.,Cc1cc(CSc2ccccc2C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)on1,117.29690000000006
+49719,Optimize the molecule CC1(C)C(C(=O)N(C[C@H]2CCCO2)c2ccncc2)C1(C)C to have a higher MR value.,CC1(C)C(C(=O)N(C[C@H]2CCCO2)c2ccncc2)C1(C)C,86.61600000000006
+92551,Please optimize the molecule Cc1nc(-n2cccc2)sc1C(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1 to have a higher MR value.,Cc1nc(-n2cccc2)sc1C(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1,121.14690000000004
+125083,Modify the molecule Cc1ccc(C(=O)NC2CC[NH+](CN3CCOC3=S)CC2)s1 to increase its MR value.,Cc1ccc(C(=O)NC2CC[NH+](CN3CCOC3=S)CC2)s1,90.36390000000004
+61804,Optimize the molecule [NH3+][C@H](c1ncc[nH]1)[C@@H]1CCCc2cccnc21 to have a lower MR value.,[NH3+][C@H](c1ncc[nH]1)[C@@H]1CCCc2cccnc21,64.13280000000002
+122093,Optimize the molecule O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(Cl)cc1 to have a lower MR value.,O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(Cl)cc1,72.18010000000002
+3118,Please optimize the molecule COC(=O)[C@H](C)NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 to have a lower MR value.,COC(=O)[C@H](C)NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2,94.16220000000004
+110463,Please modify the molecule COc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC(C)C to increase its MR value.,COc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC(C)C,100.75520000000004
+201428,Modify the molecule COc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 to increase its MR value.,COc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N(C)Cc2ccccc2)c1,129.49650000000003
+211585,Please modify the molecule CC(C)(C)CC(=O)NNC(=O)N[C@@H]1C=C[C@H](CO)C1 to decrease its MR value.,CC(C)(C)CC(=O)NNC(=O)N[C@@H]1C=C[C@H](CO)C1,72.00290000000003
+77607,Please optimize the molecule CCOc1ncccc1C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl to have a higher MR value.,CCOc1ncccc1C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl,102.04070000000003
+209325,Please modify the molecule Cc1ccc(-c2n[nH]c(SCc3noc(Cc4ccccc4)n3)n2)cc1 to decrease its MR value.,Cc1ccc(-c2n[nH]c(SCc3noc(Cc4ccccc4)n3)n2)cc1,99.66270000000002
+49595,Modify the molecule Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CC(F)(F)F to increase its MR value.,Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CC(F)(F)F,72.79700000000003
+186708,Please optimize the molecule CCOc1ccc([C@H]2/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CC[NH+](C)C)cc1 to have a higher MR value.,CCOc1ccc([C@H]2/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CC[NH+](C)C)cc1,120.51250000000006
+106877,Modify the molecule CC(C)CC(C)(C)CNC(=O)N1CCCC[C@@H]1C1OCCO1 to have a lower MR value.,CC(C)CC(C)(C)CNC(=O)N1CCCC[C@@H]1C1OCCO1,86.67170000000007
+135031,Modify the molecule Cc1ccc(NC(=O)CCc2ccccc2)c(Cl)c1 to decrease its MR value.,Cc1ccc(NC(=O)CCc2ccccc2)c(Cl)c1,79.58170000000004
+169443,Modify the molecule Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3CC(=O)c3cccs3)nc2n(C)c1=O to have a higher MR value.,Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3CC(=O)c3cccs3)nc2n(C)c1=O,109.55000000000007
+130496,Please optimize the molecule CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(OC)cc23)[C@H]1c1ccc(OC)cc1 to have a higher MR value.,CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(OC)cc23)[C@H]1c1ccc(OC)cc1,114.4321
+7293,Modify the molecule CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 to decrease its MR value.,CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1,104.03370000000005
+77449,Please modify the molecule CCc1cc(CNC(=O)Cc2cn3ccsc3n2)on1 to increase its MR value.,CCc1cc(CNC(=O)Cc2cn3ccsc3n2)on1,74.50070000000002
+212721,Please optimize the molecule Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c1 to have a lower MR value.,Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c1,107.94470000000005
+32488,Optimize the molecule C[C@@H]1CCN(C(=O)CCCOc2ccccc2Br)C[C@H]1O to have a lower MR value.,C[C@@H]1CCN(C(=O)CCCOc2ccccc2Br)C[C@H]1O,85.23880000000004
+38186,Please modify the molecule C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@H]1CCCO1 to decrease its MR value.,C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@H]1CCCO1,83.39620000000004
+114330,Please modify the molecule COC(=O)CCCN(C)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 to increase its MR value.,COC(=O)CCCN(C)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1,95.53600000000004
+20503,Please optimize the molecule COc1cccc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1F to have a lower MR value.,COc1cccc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1F,84.06520000000003
+235525,Modify the molecule O=C(c1csc(S(=O)(=O)NCc2ccccc2Cl)c1)N1CCOCC1 to increase its MR value.,O=C(c1csc(S(=O)(=O)NCc2ccccc2Cl)c1)N1CCOCC1,96.51900000000003
+53473,Modify the molecule N#C[C@@H]1COCCN1Cc1nc2c(F)cccc2[nH]1 to decrease its MR value.,N#C[C@@H]1COCCN1Cc1nc2c(F)cccc2[nH]1,66.68170000000002
+110388,Optimize the molecule C/[NH+]=C(/NCC[S@](=O)C(C)(C)C)N1CCN(c2ccccc2F)CC1 to have a higher MR value.,C/[NH+]=C(/NCC[S@](=O)C(C)(C)C)N1CCN(c2ccccc2F)CC1,102.84480000000008
+57189,Modify the molecule CCc1ccc(CN(C)C(=O)C(=O)Nc2cc(Cl)ccc2F)cc1 to have a lower MR value.,CCc1ccc(CN(C)C(=O)C(=O)Nc2cc(Cl)ccc2F)cc1,92.33370000000004
+185425,Modify the molecule O=C([O-])COc1ccccc1/C=N/N1[C@H]([C@@H]2C=C(c3ccccc3)N=N2)N=N[C@@H]1S to have a lower MR value.,O=C([O-])COc1ccccc1/C=N/N1[C@H]([C@@H]2C=C(c3ccccc3)N=N2)N=N[C@@H]1S,110.858
+87596,Please optimize the molecule O=C(Cn1cccn1)NCc1ccc(C(=O)N2CCCC2)cc1 to have a higher MR value.,O=C(Cn1cccn1)NCc1ccc(C(=O)N2CCCC2)cc1,85.65320000000004
+233250,Modify the molecule Cc1ccc2ncc(C(=O)Oc3ccc(C#N)cc3F)n2c1 to decrease its MR value.,Cc1ccc2ncc(C(=O)Oc3ccc(C#N)cc3F)n2c1,76.00250000000001
+43484,Please modify the molecule COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@H]2CCCO2)cc1 to increase its MR value.,COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@H]2CCCO2)cc1,128.91490000000002
+207908,Optimize the molecule CC(C)[C@H](CO)NC(=O)c1ccc(NC(=O)C2CC2)s1 to have a higher MR value.,CC(C)[C@H](CO)NC(=O)c1ccc(NC(=O)C2CC2)s1,78.85070000000003
+44355,Please optimize the molecule O=C(Nc1cnc2ccccc2c1)c1ccc(C[NH+]2CCCCC2)cc1 to have a lower MR value.,O=C(Nc1cnc2ccccc2c1)c1ccc(C[NH+]2CCCCC2)cc1,104.38990000000005
+217472,Please optimize the molecule CCSC[C@H](CS)C(C)(C)C to have a higher MR value.,CCSC[C@H](CS)C(C)(C)C,59.79700000000005
+158026,Please modify the molecule CCN(CC)C(=O)c1ccc(C)c(N)c1 to decrease its MR value.,CCN(CC)C(=O)c1ccc(C)c(N)c1,62.842900000000036
+75791,Modify the molecule Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@@H](c4cccnc4)[C@H]32)cc1 to have a lower MR value.,Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@@H](c4cccnc4)[C@H]32)cc1,116.15299999999999
+112048,Modify the molecule O=C(NCC1(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 to have a higher MR value.,O=C(NCC1(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1,100.93870000000004
+89340,Modify the molecule Cc1ccc(C(=O)NCc2cccnc2-n2ccnc2)s1 to have a lower MR value.,Cc1ccc(C(=O)NCc2cccnc2-n2ccnc2)s1,81.58520000000003
+239223,Modify the molecule CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3c[nH]c4ccccc34)sc2c1 to have a higher MR value.,CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3c[nH]c4ccccc34)sc2c1,118.44190000000003
+14585,Please modify the molecule COc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1Cl to decrease its MR value.,COc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1Cl,79.96950000000002
+129044,Optimize the molecule O=C(COc1ccc(Cl)cc1)N(C[C@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 to have a higher MR value.,O=C(COc1ccc(Cl)cc1)N(C[C@H]1CCCO1)c1nc2c(F)cc(F)cc2s1,107.81000000000006
+154714,Please optimize the molecule O/N=C/c1ccc2ccccc2n1 to have a higher MR value.,O/N=C/c1ccc2ccccc2n1,51.12350000000002
+155042,Modify the molecule COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1CCCCC1 to have a higher MR value.,COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1CCCCC1,111.43320000000006
+206040,Optimize the molecule O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCSc3ncccc32)cc1 to have a higher MR value.,O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCSc3ncccc32)cc1,88.02720000000004
+202646,Please modify the molecule Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCN(C(=O)c2ccco2)CC1 to decrease its MR value.,Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCN(C(=O)c2ccco2)CC1,96.09190000000002
+196267,Please modify the molecule CCOC(=O)CNC(=O)C1CC[NH+]([C@H]2CC[C@@H](CC)C2)CC1 to increase its MR value.,CCOC(=O)CNC(=O)C1CC[NH+]([C@H]2CC[C@@H](CC)C2)CC1,84.48340000000006
+233815,Please modify the molecule Cc1cc(N)ccc1NC(=O)Cc1cccs1 to decrease its MR value.,Cc1cc(N)ccc1NC(=O)Cc1cccs1,72.24410000000002
+196011,Optimize the molecule Cc1c(C[NH2+]C[C@@]2(O)CCC[C@H](C)C2)cnn1C to have a lower MR value.,Cc1c(C[NH2+]C[C@@]2(O)CCC[C@H](C)C2)cnn1C,71.02320000000005
+49417,Please optimize the molecule C[C@@](O)(Cc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1 to have a lower MR value.,C[C@@](O)(Cc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1,84.52760000000006
+51269,Modify the molecule C[C@@H](NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Cl)c(Cl)c1 to increase its MR value.,C[C@@H](NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Cl)c(Cl)c1,99.1882
+145383,Please optimize the molecule O=C(c1cccc(-n2cccn2)c1)N1CCC2(CC1)c1ccccc1C[C@H]2O to have a lower MR value.,O=C(c1cccc(-n2cccn2)c1)N1CCC2(CC1)c1ccccc1C[C@H]2O,106.53230000000003
+196730,Please modify the molecule COC(=O)CS(=O)(=O)c1ccccc1F to decrease its MR value.,COC(=O)CS(=O)(=O)c1ccccc1F,50.46880000000002
+79411,Please modify the molecule CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([NH+](C)CCc1cnn(C)c1)C3 to increase its MR value.,CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([NH+](C)CCc1cnn(C)c1)C3,117.81370000000005
+125463,Please optimize the molecule CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](CCO)C1 to have a higher MR value.,CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](CCO)C1,88.70750000000005
+242714,Please optimize the molecule C[C@H]1CN(Cc2ccccc2CNC(=O)[C@H]2COc3ccccc3C2)C[C@@H](C)O1 to have a lower MR value.,C[C@H]1CN(Cc2ccccc2CNC(=O)[C@H]2COc3ccccc3C2)C[C@@H](C)O1,112.70570000000006
+132343,Please optimize the molecule Cc1cn2c(CN(C)C(=O)Cc3ccc(OCC#N)cc3)c(C)nc2s1 to have a higher MR value.,Cc1cn2c(CN(C)C(=O)Cc3ccc(OCC#N)cc3)c(C)nc2s1,100.27100000000006
+207730,Please optimize the molecule Cc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)cc1F to have a lower MR value.,Cc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)cc1F,121.59870000000001
+141241,Modify the molecule Cc1cc(N(C)C[C@H](O)CN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] to increase its MR value.,Cc1cc(N(C)C[C@H](O)CN2CC[NH+](C)CC2)ncc1[N+](=O)[O-],87.96590000000003
+47543,Modify the molecule Cc1cccc(-c2[nH]ncc2C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 to have a lower MR value.,Cc1cccc(-c2[nH]ncc2C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1,114.57940000000005
+225057,Modify the molecule Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCC(F)(F)F to decrease its MR value.,Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCC(F)(F)F,75.34740000000004
+206430,Please modify the molecule C[NH2+]Cc1cncc(N(C)[C@H](C)c2cccc(Cl)c2)n1 to decrease its MR value.,C[NH2+]Cc1cncc(N(C)[C@H](C)c2cccc(Cl)c2)n1,81.85540000000005
+140864,Please modify the molecule CC(C)c1cccc2sc(N3CCN(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC3)nc12 to increase its MR value.,CC(C)c1cccc2sc(N3CCN(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC3)nc12,121.57630000000005
+245714,Please modify the molecule Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1)C(C)C to decrease its MR value.,Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1)C(C)C,100.04290000000005
+27464,Modify the molecule Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 to increase its MR value.,Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(C[C@H]2CCCO2)c1,96.46160000000003
+231117,Optimize the molecule Cc1coc(-c2cccc(NC(=O)NNc3ccc(F)c(F)c3F)c2)n1 to have a higher MR value.,Cc1coc(-c2cccc(NC(=O)NNc3ccc(F)c(F)c3F)c2)n1,88.76910000000002
+25589,Please optimize the molecule C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC2=NCCS2)o1 to have a lower MR value.,C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC2=NCCS2)o1,77.16670000000002
+175262,Optimize the molecule C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 to have a lower MR value.,C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1,81.62370000000003
+102845,Modify the molecule C[C@@H]1CCC[C@H](N(C)C(=O)c2cccc(NC(=O)C(C)(C)C)c2)C1 to have a lower MR value.,C[C@@H]1CCC[C@H](N(C)C(=O)c2cccc(NC(=O)C(C)(C)C)c2)C1,98.04020000000006
+151858,Modify the molecule CC(=O)NCCOc1ccc(C(=O)N[C@H]2C[NH+](C)C[C@@H]2C2CC2)cc1 to decrease its MR value.,CC(=O)NCCOc1ccc(C(=O)N[C@H]2C[NH+](C)C[C@@H]2C2CC2)cc1,94.70960000000005
+118940,Please optimize the molecule O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@H](O)c2ccccc2F)CC1 to have a lower MR value.,O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@H](O)c2ccccc2F)CC1,100.70060000000004
+154298,Please modify the molecule CCOC(=O)N1CCC(NC(=O)C[NH+](C)Cc2cccc(C#N)c2)CC1 to decrease its MR value.,CCOC(=O)N1CCC(NC(=O)C[NH+](C)Cc2cccc(C#N)c2)CC1,96.37440000000007
+237431,Please modify the molecule Cc1ccccc1[C@@H](CC(=O)N[C@H](C)Cc1cccs1)NC(N)=O to increase its MR value.,Cc1ccccc1[C@@H](CC(=O)N[C@H](C)Cc1cccs1)NC(N)=O,96.88380000000005
+19932,Modify the molecule CC1(C)CC(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC(C)(C)[NH2+]1 to increase its MR value.,CC1(C)CC(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC(C)(C)[NH2+]1,102.88340000000005
+48670,Please optimize the molecule O=C(c1cncc(-c2ccsc2)c1)N1CCC2(CC1)OCc1ccccc12 to have a higher MR value.,O=C(c1cncc(-c2ccsc2)c1)N1CCC2(CC1)OCc1ccccc12,105.59650000000003
+230446,Optimize the molecule CCOC(=O)c1[nH]ncc1CN1CCC[C@@H](c2nncn2C)C1 to have a higher MR value.,CCOC(=O)c1[nH]ncc1CN1CCC[C@@H](c2nncn2C)C1,82.79920000000004
+184972,Modify the molecule COc1ccc2cc(C[NH2+]C[C@@H](O)C3CCOCC3)ccc2c1 to decrease its MR value.,COc1ccc2cc(C[NH2+]C[C@@H](O)C3CCOCC3)ccc2c1,90.54620000000004
+236534,Modify the molecule CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)NCCC(F)(F)F to have a higher MR value.,CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)NCCC(F)(F)F,72.41770000000004
+171850,Modify the molecule CCC[C@H]1CCCN(c2ccc(C#N)c(N)c2)CC1 to decrease its MR value.,CCC[C@H]1CCCN(c2ccc(C#N)c(N)c2)CC1,80.03140000000003
+32283,Please modify the molecule Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])o1 to increase its MR value.,Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])o1,82.74600000000004
+185735,Optimize the molecule Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)C2=O to have a lower MR value.,Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)C2=O,114.15500000000004
+122371,Modify the molecule C/C=C(/C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 to increase its MR value.,C/C=C(/C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1,83.58870000000006
+30779,Modify the molecule COc1ccc(CN2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1 to decrease its MR value.,COc1ccc(CN2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1,125.78300000000003
+26160,Modify the molecule COc1cc(C)c(I)c(C)c1C#N to have a higher MR value.,COc1cc(C)c(I)c(C)c1C#N,59.90000000000002
+82581,Modify the molecule NC(=O)c1ccc(SCC(=O)N2CCc3cc(F)ccc3C2)c([N+](=O)[O-])c1 to have a higher MR value.,NC(=O)c1ccc(SCC(=O)N2CCc3cc(F)ccc3C2)c([N+](=O)[O-])c1,97.85930000000002
+101863,Please optimize the molecule Cc1cccn2cc(COc3cccc4cccnc34)nc12 to have a lower MR value.,Cc1cccn2cc(COc3cccc4cccnc34)nc12,86.00400000000003
+26583,Modify the molecule CC[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 to increase its MR value.,CC[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1,106.52570000000004
+146599,Optimize the molecule O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl to have a lower MR value.,O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl,94.91969999999999
+20668,Please modify the molecule COc1ccc(CC[C@H](C)NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 to decrease its MR value.,COc1ccc(CC[C@H](C)NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1,119.49920000000007
+233661,Modify the molecule CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)c1 to have a lower MR value.,CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)c1,110.04610000000007
+54304,Modify the molecule Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(Cl)cc2)c(F)c1 to have a lower MR value.,Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(Cl)cc2)c(F)c1,93.30450000000003
+8093,Please optimize the molecule C[C@@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@H]12 to have a higher MR value.,C[C@@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@H]12,82.71680000000005
+209135,Modify the molecule [NH3+][C@@H]1CCC[C@@H](Oc2nnnn2-c2ccccc2)C1 to increase its MR value.,[NH3+][C@@H]1CCC[C@@H](Oc2nnnn2-c2ccccc2)C1,68.71410000000002
+70539,Please optimize the molecule CC[C@@](C)([NH3+])C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C to have a higher MR value.,CC[C@@](C)([NH3+])C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C,79.68330000000003
+100504,Please optimize the molecule CCOc1ccc(CC(=O)NCC2CCN(C(=O)c3cnccn3)CC2)cc1 to have a higher MR value.,CCOc1ccc(CC(=O)NCC2CCN(C(=O)c3cnccn3)CC2)cc1,104.98420000000004
+25984,Optimize the molecule C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)N1CCCCC1 to have a higher MR value.,C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)N1CCCCC1,100.66070000000006
+139159,Modify the molecule CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 to have a lower MR value.,CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1,93.98400000000004
+97547,Please modify the molecule C[NH2+][C@H](Cc1ccccc1)[C@H]1CCOC2(CCCCC2)C1 to decrease its MR value.,C[NH2+][C@H](Cc1ccccc1)[C@H]1CCOC2(CCCCC2)C1,86.27540000000006
+199132,Modify the molecule Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)C2 to decrease its MR value.,Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)C2,73.68220000000004
+64363,Please modify the molecule O=C(C[NH+]1CCCCC[C@H]1c1ccccc1)N1CCC2(CC1)OCCO2 to decrease its MR value.,O=C(C[NH+]1CCCCC[C@H]1c1ccccc1)N1CCC2(CC1)OCCO2,98.79670000000007
+248090,Optimize the molecule CCc1ccc([C@H]2CCCCCN2C(=O)NCC[S@](C)=O)o1 to have a lower MR value.,CCc1ccc([C@H]2CCCCCN2C(=O)NCC[S@](C)=O)o1,88.33310000000004
+21654,Modify the molecule COc1ccc2nc(CNc3ncc(F)c(N4CCOCC4)n3)[nH]c2c1 to have a higher MR value.,COc1ccc2nc(CNc3ncc(F)c(N4CCOCC4)n3)[nH]c2c1,94.99440000000003
+162249,Modify the molecule CCC[NH+](C)C[C@@H]1CCN(C(=O)CCc2ccsc2)C1 to decrease its MR value.,CCC[NH+](C)C[C@@H]1CCN(C(=O)CCc2ccsc2)C1,84.23870000000007
+232559,Optimize the molecule Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)ccc1-c1ccc(Cl)cc1 to have a lower MR value.,Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)ccc1-c1ccc(Cl)cc1,106.94709999999999
+37476,Modify the molecule CCc1nc(C(=O)Nc2cc(NC(C)=O)ccc2F)n[nH]1 to decrease its MR value.,CCc1nc(C(=O)Nc2cc(NC(C)=O)ccc2F)n[nH]1,74.41760000000001
+1651,Optimize the molecule C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@H](O)CN1CCOCC1 to have a lower MR value.,C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@H](O)CN1CCOCC1,92.74720000000005
+149156,Optimize the molecule COc1ccc(O[C@@H](C)CNc2ccc(Cl)cc2)cc1 to have a higher MR value.,COc1ccc(O[C@@H](C)CNc2ccc(Cl)cc2)cc1,83.02570000000004
+156293,Optimize the molecule Cc1c(-c2cc(C(F)(F)F)ccc2F)[nH+]n(C)c1N to have a higher MR value.,Cc1c(-c2cc(C(F)(F)F)ccc2F)[nH+]n(C)c1N,61.514100000000006
+200383,Please optimize the molecule CCC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 to have a higher MR value.,CCC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,89.45610000000002
+15102,Modify the molecule Cc1ccncc1NC(=O)N(C)CC1CCC1 to increase its MR value.,Cc1ccncc1NC(=O)N(C)CC1CCC1,67.96370000000003
+167590,Modify the molecule C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1CCO[C@@H]1C to decrease its MR value.,C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1CCO[C@@H]1C,87.53100000000005
+26062,Please modify the molecule CC(C)(C)c1ccc(S(=O)(=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 to increase its MR value.,CC(C)(C)c1ccc(S(=O)(=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1,111.50050000000005
+92281,Please optimize the molecule CCS(=O)(=O)c1ccccc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(C)ccc(C)c2s1 to have a higher MR value.,CCS(=O)(=O)c1ccccc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(C)ccc(C)c2s1,123.91330000000005
+125509,Please modify the molecule CC[C@@H](C)[NH2+][C@H](CC(=O)NC)C(N)=O to decrease its MR value.,CC[C@@H](C)[NH2+][C@H](CC(=O)NC)C(N)=O,53.344500000000025
+47913,Optimize the molecule CC[C@@H](C)NC(=O)[C@@H]1CC(c2cccc(OC)c2)=NO1 to have a higher MR value.,CC[C@@H](C)NC(=O)[C@@H]1CC(c2cccc(OC)c2)=NO1,76.91670000000005
+200713,Modify the molecule CNC(=O)c1cccc(NC(=O)[C@H](C)S[C@@H](C)C(C)C)c1 to have a lower MR value.,CNC(=O)c1cccc(NC(=O)[C@H](C)S[C@@H](C)C(C)C)c1,89.81490000000005
+35424,Optimize the molecule Cc1cc(NC(=O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)no1 to have a higher MR value.,Cc1cc(NC(=O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)no1,111.73340000000003
+223893,Modify the molecule COC(C)(C)[C@H](N)c1c[nH+]ccc1N to have a lower MR value.,COC(C)(C)[C@H](N)c1c[nH+]ccc1N,55.42650000000002
+143634,Modify the molecule CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCC3(CCCCC3)CC2)c1 to decrease its MR value.,CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCC3(CCCCC3)CC2)c1,113.75630000000007
+85709,Modify the molecule Cc1nc(Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)no1 to decrease its MR value.,Cc1nc(Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)no1,86.60380000000004
+71540,Optimize the molecule COCCN1C[C@H](C(=O)Nc2cccnc2-n2cccn2)CC1=O to have a lower MR value.,COCCN1C[C@H](C(=O)Nc2cccnc2-n2cccn2)CC1=O,86.55170000000004
+96802,Modify the molecule C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccccc1F to have a lower MR value.,C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccccc1F,97.31540000000001
+104171,Modify the molecule CCN(CC)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 to have a higher MR value.,CCN(CC)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12,99.94170000000005
+226163,Please optimize the molecule Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[NH+](Cc3cccnc3)C2)n1C to have a lower MR value.,Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[NH+](Cc3cccnc3)C2)n1C,96.44240000000006
+105045,Please modify the molecule C[C@@H]1CCC[C@@H]([NH+](C)C[C@H](O)CN2CCOCC2)C1 to decrease its MR value.,C[C@@H]1CCC[C@@H]([NH+](C)C[C@H](O)CN2CCOCC2)C1,76.43950000000007
+509,Please optimize the molecule C[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl to have a higher MR value.,C[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,99.91600000000005
+187814,Optimize the molecule CCOc1ccccc1CN(C(=O)[C@H]([NH3+])CO)C1CC1 to have a lower MR value.,CCOc1ccccc1CN(C(=O)[C@H]([NH3+])CO)C1CC1,74.94490000000003
+61333,Modify the molecule CCCS(=O)(=O)NCc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 to decrease its MR value.,CCCS(=O)(=O)NCc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1,90.52020000000005
+223721,Please modify the molecule C1CC(C[NH+]2C[C@H]3CC[C@@H]2CN(Cc2nnc(C4CC4)o2)C3)C1 to decrease its MR value.,C1CC(C[NH+]2C[C@H]3CC[C@@H]2CN(Cc2nnc(C4CC4)o2)C3)C1,86.09970000000006
+59497,Please optimize the molecule COC(=O)C[C@H](N=C=O)c1cccc([N+](=O)[O-])c1 to have a higher MR value.,COC(=O)C[C@H](N=C=O)c1cccc([N+](=O)[O-])c1,60.59190000000002
+2086,Modify the molecule C[C@@H](C(=O)[O-])[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C to increase its MR value.,C[C@@H](C(=O)[O-])[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C,68.44510000000004
+9519,Please modify the molecule O[C@H](c1ccccc1)c1cscc1Br to increase its MR value.,O[C@H](c1ccccc1)c1cscc1Br,62.522800000000025
+238365,Please optimize the molecule C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1cccc2ccccc12 to have a lower MR value.,C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1cccc2ccccc12,120.61220000000002
+221042,Modify the molecule CCNC(=O)CCSc1cc(OC)ccc1N to have a lower MR value.,CCNC(=O)CCSc1cc(OC)ccc1N,71.43110000000003
+219258,Modify the molecule CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H](Cc2nc(C)cs2)C1 to have a lower MR value.,CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H](Cc2nc(C)cs2)C1,82.54840000000006
+72557,Optimize the molecule COc1ccc2c(ccc[n+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 to have a lower MR value.,COc1ccc2c(ccc[n+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1,97.15810000000002
+66562,Please optimize the molecule CSCC(=O)NNC(=O)C(C)(C)c1ccc(Br)cc1 to have a lower MR value.,CSCC(=O)NNC(=O)C(C)(C)c1ccc(Br)cc1,81.83540000000004
+62168,Modify the molecule Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(OCc3cccnc3)c2)s1 to increase its MR value.,Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(OCc3cccnc3)c2)s1,107.10750000000004
+31290,Optimize the molecule CC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 to have a higher MR value.,CC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1,85.56220000000002
+2125,Please modify the molecule O=S(=O)([N-]c1cccc2[nH]ncc12)c1ccc2c(c1)COC2 to increase its MR value.,O=S(=O)([N-]c1cccc2[nH]ncc12)c1ccc2c(c1)COC2,81.23350000000003
+53875,Please modify the molecule CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 to increase its MR value.,CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1,101.47650000000009
+78663,Please modify the molecule CCOC(CNC(=O)[C@H](C)[NH3+])OCC to decrease its MR value.,CCOC(CNC(=O)[C@H](C)[NH3+])OCC,52.39980000000002
+48064,Modify the molecule O=C(c1cn(C[C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)nn1)N1CCCC1 to decrease its MR value.,O=C(c1cn(C[C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)nn1)N1CCCC1,103.04230000000005
+235737,Optimize the molecule Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1ccc(Cl)c(Cl)c1 to have a higher MR value.,Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1ccc(Cl)c(Cl)c1,108.3853
+40530,Modify the molecule O=C([O-])c1ccc2c(=O)[nH][nH]c(=O)c2c1 to decrease its MR value.,O=C([O-])c1ccc2c(=O)[nH][nH]c(=O)c2c1,49.519899999999986
+71863,Optimize the molecule CC1CCN(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)CC1 to have a lower MR value.,CC1CCN(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)CC1,118.24570000000004
+89521,Modify the molecule COC[C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O to decrease its MR value.,COC[C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O,63.334200000000045
+58365,Please optimize the molecule Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cc(C2CC2)[nH]n1 to have a lower MR value.,Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cc(C2CC2)[nH]n1,84.71770000000004
+78793,Please optimize the molecule CCCc1c(C(=O)Nc2ccc3c(c2)C(=O)OC3)nnn1-c1ccccc1 to have a lower MR value.,CCCc1c(C(=O)Nc2ccc3c(c2)C(=O)OC3)nnn1-c1ccccc1,98.8687
+3101,Please modify the molecule COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)cc1 to decrease its MR value.,COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)cc1,92.59540000000005
+87411,Optimize the molecule c1ccc(N2CCOCC2)c(C[NH+]2CCCC[C@@H]2c2cn[nH]c2)c1 to have a lower MR value.,c1ccc(N2CCOCC2)c(C[NH+]2CCCC[C@@H]2c2cn[nH]c2)c1,94.18740000000005
+55532,Please modify the molecule C[C@H]1OCC[C@H]1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 to decrease its MR value.,C[C@H]1OCC[C@H]1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1,88.52270000000004
+192171,Modify the molecule COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 to increase its MR value.,COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21,97.45210000000003
+73849,Please optimize the molecule O=C(NCCOCC(F)(F)F)Nc1ccccc1 to have a higher MR value.,O=C(NCCOCC(F)(F)F)Nc1ccccc1,60.337400000000024
+133048,Modify the molecule C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccncc1 to decrease its MR value.,C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccncc1,74.67510000000003
+19160,Modify the molecule Cn1ncnc1CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 to have a higher MR value.,Cn1ncnc1CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1,81.68970000000003
+186523,Modify the molecule CCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 to have a higher MR value.,CCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1,91.8179
+151571,Modify the molecule COCCN1CCN(C(=O)NCC(C)(C)c2cccc(C)c2)CC1=O to have a lower MR value.,COCCN1CCN(C(=O)NCC(C)(C)c2cccc(C)c2)CC1=O,97.63270000000006
+102975,Modify the molecule CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] to decrease its MR value.,CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-],91.97160000000005
+135741,Please optimize the molecule COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)NCc2ccco2)cc1 to have a lower MR value.,COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)NCc2ccco2)cc1,113.13390000000001
+138523,Modify the molecule Cc1ccc(NC(=O)C[C@H]2Sc3nnc(C)n3NC2=O)cc1 to decrease its MR value.,Cc1ccc(NC(=O)C[C@H]2Sc3nnc(C)n3NC2=O)cc1,83.19740000000002
+28258,Please modify the molecule CC1(C)CC2(C[C@H](c3ccc4c(c3)OCO4)[C@H]1NC(=O)c1ccccc1)OCCO2 to decrease its MR value.,CC1(C)CC2(C[C@H](c3ccc4c(c3)OCO4)[C@H]1NC(=O)c1ccccc1)OCCO2,110.65220000000004
+32472,Optimize the molecule O=C([O-])COC[C@@H]1CCCCO1 to have a higher MR value.,O=C([O-])COC[C@@H]1CCCCO1,39.41700000000001
+59473,Optimize the molecule COc1ccc2nc(N/C(N)=N/C(=O)Nc3ccccc3)nc(C)c2c1 to have a lower MR value.,COc1ccc2nc(N/C(N)=N/C(=O)Nc3ccccc3)nc(C)c2c1,101.53280000000002
+242803,Modify the molecule CCCn1nc(C)c(CN2CCc3c(F)ccc(F)c3C2)c1C to decrease its MR value.,CCCn1nc(C)c(CN2CCc3c(F)ccc(F)c3C2)c1C,86.16800000000003
+27777,Please optimize the molecule O=C1CC[C@@H](C(=O)Nc2nc(-c3ccccn3)cs2)CN1 to have a higher MR value.,O=C1CC[C@@H](C(=O)Nc2nc(-c3ccccn3)cs2)CN1,79.70840000000003
+50977,Modify the molecule CC1(C)CCC[C@@H]1NS(=O)(=O)C[C@H]1CCCC[NH2+]1 to decrease its MR value.,CC1(C)CCC[C@@H]1NS(=O)(=O)C[C@H]1CCCC[NH2+]1,72.77390000000005
+164648,Please optimize the molecule Cc1cc(C)cc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 to have a lower MR value.,Cc1cc(C)cc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1,96.36710000000004
+223992,Optimize the molecule O=S1(=O)N=C(CN2CCC[C@@H]2Cn2cccn2)Nc2ccccc21 to have a higher MR value.,O=S1(=O)N=C(CN2CCC[C@@H]2Cn2cccn2)Nc2ccccc21,91.50750000000004
+114059,Please optimize the molecule Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1=O to have a lower MR value.,Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1=O,89.42170000000004
+4020,Optimize the molecule O=C(OCc1cn2ccccc2n1)c1ccc(Cn2nnc3ccccc32)cc1 to have a lower MR value.,O=C(OCc1cn2ccccc2n1)c1ccc(Cn2nnc3ccccc32)cc1,107.38350000000001
+94849,Modify the molecule N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccccc1 to have a higher MR value.,N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccccc1,102.1114
+133419,Modify the molecule CCOC(=O)c1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 to increase its MR value.,CCOC(=O)c1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1,101.69260000000006
+44477,Modify the molecule O=C(Nc1cccnc1Cl)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 to increase its MR value.,O=C(Nc1cccnc1Cl)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1,87.37710000000004
+91009,Optimize the molecule CCOC(=O)c1cccc(N[C@@H]2CC[C@H](SCC)C2)n1 to have a higher MR value.,CCOC(=O)c1cccc(N[C@@H]2CC[C@H](SCC)C2)n1,83.37520000000005
+161191,Please optimize the molecule C[NH+](CC[NH+]1CCCC1)Cc1nnc(-c2ccccc2F)o1 to have a lower MR value.,C[NH+](CC[NH+]1CCCC1)Cc1nnc(-c2ccccc2F)o1,79.94740000000003
+63605,Modify the molecule CCOC(=O)C(C(=O)OCC)[NH+](C)C to increase its MR value.,CCOC(=O)C(C(=O)OCC)[NH+](C)C,49.86470000000003
+176472,Modify the molecule C[S@](=O)c1ccc(C[NH2+]CCOc2cccc3ccccc23)cc1 to increase its MR value.,C[S@](=O)c1ccc(C[NH2+]CCOc2cccc3ccccc23)cc1,98.71380000000005
+104181,Optimize the molecule CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(OCC)ccc2ccccc12 to have a lower MR value.,CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(OCC)ccc2ccccc12,121.83740000000003
+8566,Please optimize the molecule CCS(=O)(=O)N(CCC(N)=O)Cc1ccccc1 to have a higher MR value.,CCS(=O)(=O)N(CCC(N)=O)Cc1ccccc1,70.12420000000003
+157244,Please modify the molecule CCCN1CCN(C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)CC1 to decrease its MR value.,CCCN1CCN(C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)CC1,106.94070000000008
+49970,Optimize the molecule CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCN1CCCCCC1=O to have a lower MR value.,CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCN1CCCCCC1=O,100.71970000000007
+45069,Modify the molecule O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccccc1 to have a lower MR value.,O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccccc1,120.9747
+116140,Modify the molecule Cn1ccnc1SCCC(C)(C)O to have a lower MR value.,Cn1ccnc1SCCC(C)(C)O,54.84680000000004
+170817,Optimize the molecule Cc1ccc(NC(=O)CCC(=O)c2cccs2)c(F)c1 to have a higher MR value.,Cc1ccc(NC(=O)CCC(=O)c2cccs2)c(F)c1,77.65020000000003
+181741,Optimize the molecule CCCCN(C(=O)N[C@H](c1ccccc1)C1CCC1)[C@@H]1CCS(=O)(=O)C1 to have a lower MR value.,CCCCN(C(=O)N[C@H](c1ccccc1)C1CCC1)[C@@H]1CCS(=O)(=O)C1,103.72850000000007
+5867,Please optimize the molecule CCc1nc(C)sc1CNC(=O)c1cc(C)c(C)[nH]c1=O to have a lower MR value.,CCc1nc(C)sc1CNC(=O)c1cc(C)c(C)[nH]c1=O,83.93590000000003
+37704,Modify the molecule COc1ccc([C@@H](CC(=O)Nc2nc(C)cs2)N2Cc3ccccc3C2=O)cc1OC to have a higher MR value.,COc1ccc([C@@H](CC(=O)Nc2nc(C)cs2)N2Cc3ccccc3C2=O)cc1OC,118.70020000000002
+163914,Modify the molecule CCOC(=O)C1CC[N+](=c2c(O)c(O)/c2=N\Cc2ccc(OC)cc2)CC1 to have a higher MR value.,CCOC(=O)C1CC[N+](=c2c(O)c(O)/c2=N\Cc2ccc(OC)cc2)CC1,98.76460000000004
+30416,Modify the molecule Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)no1 to have a higher MR value.,Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)no1,109.92570000000003
+97176,Please modify the molecule CCOc1cc(C)ccc1NC(=O)NC1CCCC1 to decrease its MR value.,CCOc1cc(C)ccc1NC(=O)NC1CCCC1,76.75840000000004
+144154,Modify the molecule CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccccc1[N+](=O)[O-] to have a lower MR value.,CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccccc1[N+](=O)[O-],87.62260000000005
+112293,Optimize the molecule Cc1cccc(C(=O)NCC(C)(C)N2CCS(=O)CC2)c1 to have a higher MR value.,Cc1cccc(C(=O)NCC(C)(C)N2CCS(=O)CC2)c1,87.04060000000005
+57140,Modify the molecule CCCc1cc(NC(=O)N2CCOC[C@H]2C2CC2)n(C)n1 to increase its MR value.,CCCc1cc(NC(=O)N2CCOC[C@H]2C2CC2)n(C)n1,80.25870000000005
+150363,Please modify the molecule C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1NC(=O)c1cccs1 to increase its MR value.,C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1NC(=O)c1cccs1,110.81310000000003
+46820,Optimize the molecule CCCOc1ccc(/C=N/n2cnnc2)cc1OCC to have a higher MR value.,CCCOc1ccc(/C=N/n2cnnc2)cc1OCC,76.41100000000004
+158731,Please optimize the molecule Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 to have a lower MR value.,Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,120.81350000000003
+39846,Modify the molecule O=c1c2cc(I)ccc2nc(/C=C/c2ccccn2)n1Cc1ccccc1 to decrease its MR value.,O=c1c2cc(I)ccc2nc(/C=C/c2ccccn2)n1Cc1ccccc1,117.42899999999999
+114004,Modify the molecule C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 to have a lower MR value.,C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1,93.68310000000005
+180876,Modify the molecule CSc1nn(CN2CCCc3cc(C)cc(F)c32)c(=S)s1 to increase its MR value.,CSc1nn(CN2CCCc3cc(C)cc(F)c32)c(=S)s1,89.52300000000002
+182563,Optimize the molecule CCN(CC(=O)NC(C)C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 to have a lower MR value.,CCN(CC(=O)NC(C)C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1,98.89720000000003
+41364,Modify the molecule Cc1cccc(OCC[C@H](C)CCS)c1[N+](=O)[O-] to increase its MR value.,Cc1cccc(OCC[C@H](C)CCS)c1[N+](=O)[O-],75.57940000000002
+84684,Please modify the molecule COC(=O)[C@@H]1Cc2cccc(S(=O)(=O)N(C)C)c2C1 to decrease its MR value.,COC(=O)[C@@H]1Cc2cccc(S(=O)(=O)N(C)C)c2C1,70.22880000000004
+148324,Please modify the molecule O=C(NCc1ccccc1Cl)N1CCCC[C@H]1CCO to increase its MR value.,O=C(NCc1ccccc1Cl)N1CCCC[C@H]1CCO,79.73550000000003
+7738,Please modify the molecule O=C(N[C@H](Nc1ccccc1)c1ccccc1)c1ccccc1 to decrease its MR value.,O=C(N[C@H](Nc1ccccc1)c1ccccc1)c1ccccc1,93.15590000000003
+220861,Please modify the molecule COc1ccc(C(=O)N(C)c2ccc3nc(C)sc3c2)cc1OC to increase its MR value.,COc1ccc(C(=O)N(C)c2ccc3nc(C)sc3c2)cc1OC,96.63650000000003
+2398,Please optimize the molecule CC[C@@H](C(=O)N1CCN(c2cc(Cl)ccc2C)CC1)n1nc(C)n2c(cc3occc32)c1=O to have a lower MR value.,CC[C@@H](C(=O)N1CCN(c2cc(Cl)ccc2C)CC1)n1nc(C)n2c(cc3occc32)c1=O,128.27100000000004
+56854,Modify the molecule Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cnn1C to increase its MR value.,Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cnn1C,74.55440000000004
+155497,Please optimize the molecule Nc1nnc(SCc2ccccc2)n1Cc1ccccc1 to have a higher MR value.,Nc1nnc(SCc2ccccc2)n1Cc1ccccc1,85.98140000000002
+97288,Optimize the molecule C[C@H](CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)N1CCOCC1 to have a higher MR value.,C[C@H](CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)N1CCOCC1,100.02740000000006
+37040,Please modify the molecule Cn1cc(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)c(-c2ccccc2)n1 to increase its MR value.,Cn1cc(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)c(-c2ccccc2)n1,91.59620000000004
+36724,Optimize the molecule CO[C@H]1CCC[C@H](OC(=O)Cn2cnc3c(cnn3C)c2=O)C1 to have a higher MR value.,CO[C@H]1CCC[C@H](OC(=O)Cn2cnc3c(cnn3C)c2=O)C1,81.91400000000003
+88964,Please optimize the molecule Cc1c(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)oc2c(O)c(O)ccc12 to have a higher MR value.,Cc1c(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)oc2c(O)c(O)ccc12,100.31630000000001
+229294,Modify the molecule C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1cccc(C(F)(F)F)c1 to have a higher MR value.,C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1cccc(C(F)(F)F)c1,95.09620000000004
+124598,Please modify the molecule Cc1cc(C(=O)COC(=O)c2ccc(Br)cc2)c(C)n1-c1ccc2c(c1)OCO2 to increase its MR value.,Cc1cc(C(=O)COC(=O)c2ccc(Br)cc2)c(C)n1-c1ccc2c(c1)OCO2,110.12100000000001
+165621,Please optimize the molecule Cc1cc(-n2nc(C)c(Cl)c2C)c([C@H](C)O)cc1F to have a higher MR value.,Cc1cc(-n2nc(C)c(Cl)c2C)c([C@H](C)O)cc1F,73.37680000000002
+30717,Modify the molecule CCOCC(=O)NNC(=O)N[C@H](c1cc(F)ccc1F)C1CC1 to increase its MR value.,CCOCC(=O)NNC(=O)N[C@H](c1cc(F)ccc1F)C1CC1,78.12610000000002
+109161,Modify the molecule CC(C)CS(=O)(=O)Cc1cc(F)ccc1N to have a lower MR value.,CC(C)CS(=O)(=O)Cc1cc(F)ccc1N,63.14120000000003
+214146,Optimize the molecule CC(=O)N(C)c1ccc(S(=O)(=O)N(C)c2cccc(C(C)C)c2)cc1 to have a lower MR value.,CC(=O)N(C)c1ccc(S(=O)(=O)N(C)c2cccc(C(C)C)c2)cc1,101.64580000000005
+181482,Please optimize the molecule CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 to have a lower MR value.,CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1,72.14920000000004
+247650,Please optimize the molecule CC(C)n1ccnc1SCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br to have a higher MR value.,CC(C)n1ccnc1SCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br,100.46210000000002
+54183,Modify the molecule CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@H](C)C2)c1 to have a higher MR value.,CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@H](C)C2)c1,89.35090000000004
+92729,Please modify the molecule C[NH+](CCCCCS)Cc1ccco1 to decrease its MR value.,C[NH+](CCCCCS)Cc1ccco1,61.869700000000044
+56911,Please optimize the molecule C[NH+](C)CC#C[C@@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C to have a lower MR value.,C[NH+](C)CC#C[C@@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C,91.55770000000007
+97999,Modify the molecule C[C@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CC(=O)N[C@@H](C)c3ccccc3)CC2)C1 to have a lower MR value.,C[C@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CC(=O)N[C@@H](C)c3ccccc3)CC2)C1,114.52840000000008
+38258,Please optimize the molecule CCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccc(C)cc3)C2)c(C)n1 to have a lower MR value.,CCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccc(C)cc3)C2)c(C)n1,109.27720000000004
+59438,Optimize the molecule CN(C)c1nnc(-c2cnc(N)nc2N)o1 to have a higher MR value.,CN(C)c1nnc(-c2cnc(N)nc2N)o1,58.4758
+66874,Please modify the molecule CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1 to increase its MR value.,CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1,89.49870000000004
+162713,Please optimize the molecule C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(OC(F)F)cc1 to have a higher MR value.,C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(OC(F)F)cc1,84.20350000000005
+10527,Modify the molecule COc1ccccc1[C@@H]1CCCN1C(=O)Cc1c[nH]c2cc(F)ccc12 to have a higher MR value.,COc1ccccc1[C@@H]1CCCN1C(=O)Cc1c[nH]c2cc(F)ccc12,98.64270000000003
+243232,Please modify the molecule C[NH+](C)[C@@H]1CC[C@@H](NC(=O)COc2ccccc2C#N)C1 to decrease its MR value.,C[NH+](C)[C@@H]1CC[C@@H](NC(=O)COc2ccccc2C#N)C1,79.03240000000004
+190048,Optimize the molecule CC1(C)C[C@]2(C)NC(=C(C#N)C#N)[C@@]1(C#N)C(N)=C2C#N to have a lower MR value.,CC1(C)C[C@]2(C)NC(=C(C#N)C#N)[C@@]1(C#N)C(N)=C2C#N,73.0631
+91599,Modify the molecule CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@@](C#N)(C(N)=O)[C@@H]2C=Cc3ccccc3N12 to decrease its MR value.,CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@@](C#N)(C(N)=O)[C@@H]2C=Cc3ccccc3N12,116.41640000000004
+57223,Please modify the molecule CCOc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)c2ccccc2Cl)cc1 to decrease its MR value.,CCOc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)c2ccccc2Cl)cc1,102.58120000000002
+23908,Please modify the molecule CCn1/c(=N/C(=O)CCc2ccccc2)sc2cc(OC)c(OC)cc21 to decrease its MR value.,CCn1/c(=N/C(=O)CCc2ccccc2)sc2cc(OC)c(OC)cc21,103.92600000000006
+79444,Modify the molecule CC(=O)N[C@H](CC(=O)N(C)C[C@@H]1OCCc2ccccc21)c1ccc(F)cc1 to have a lower MR value.,CC(=O)N[C@H](CC(=O)N(C)C[C@@H]1OCCc2ccccc21)c1ccc(F)cc1,104.05070000000005
+80040,Please modify the molecule COC(=O)[C@H](NC(=O)c1ccccc1C(F)(F)F)C(C)(C)C to increase its MR value.,COC(=O)[C@H](NC(=O)c1ccccc1C(F)(F)F)C(C)(C)C,74.16920000000003
+131787,Please optimize the molecule Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 to have a lower MR value.,Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)cc1,101.84660000000004
+245988,Please modify the molecule CNC(=O)COc1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1 to decrease its MR value.,CNC(=O)COc1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1,86.70680000000003
+111700,Modify the molecule Cc1sc2[nH+]c(NC(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)sc(=O)c2c1C to have a higher MR value.,Cc1sc2[nH+]c(NC(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)sc(=O)c2c1C,129.18040000000002
+49848,Modify the molecule Cc1cc(NC(=O)Nc2ccccc2)c2ccccc2n1 to increase its MR value.,Cc1cc(NC(=O)Nc2ccccc2)c2ccccc2n1,85.56340000000003
+227910,Please optimize the molecule COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1O to have a higher MR value.,COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1O,77.82880000000003
+93491,Optimize the molecule Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 to have a lower MR value.,Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1,100.65780000000005
+154222,Optimize the molecule C[C@@H](O)CC[NH+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 to have a lower MR value.,C[C@@H](O)CC[NH+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1,85.85450000000004
+172587,Please modify the molecule O=C(CSc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)NC2CC2)c1 to decrease its MR value.,O=C(CSc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)NC2CC2)c1,108.75920000000002
+199761,Modify the molecule COc1ccc(N2CCN(C(=O)c3ccn4nnnc4c3)[C@@H](C)C2)cc1 to have a higher MR value.,COc1ccc(N2CCN(C(=O)c3ccn4nnnc4c3)[C@@H](C)C2)cc1,96.48750000000003
+100414,Please optimize the molecule C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 to have a higher MR value.,C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1,93.40330000000006
+105560,Please optimize the molecule Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1C to have a higher MR value.,Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1C,74.64170000000003
+178330,Modify the molecule N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCC3)CC2)cc1 to have a higher MR value.,N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCC3)CC2)cc1,88.45380000000004
+72073,Please optimize the molecule CCOC(=O)N1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 to have a lower MR value.,CCOC(=O)N1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1,89.62040000000006
+211336,Please optimize the molecule COc1cc(C)c(SC[C@H](C)C(C)=O)cc1OC to have a higher MR value.,COc1cc(C)c(SC[C@H](C)C(C)=O)cc1OC,74.85200000000005
+179694,Modify the molecule O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Cl)cc1Cl to have a higher MR value.,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Cl)cc1Cl,94.2013
+39538,Modify the molecule Fc1ccc(-c2nnc(C[NH+]3CCC[C@@H]3c3cccc(Cl)c3)o2)cc1 to have a higher MR value.,Fc1ccc(-c2nnc(C[NH+]3CCC[C@@H]3c3cccc(Cl)c3)o2)cc1,92.65270000000002
+179500,Optimize the molecule CC(C)OCCOC(=O)c1cc(N2CCNC2=O)c(F)cc1F to have a lower MR value.,CC(C)OCCOC(=O)c1cc(N2CCNC2=O)c(F)cc1F,78.47320000000003
+230695,Modify the molecule CC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 to have a higher MR value.,CC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1,72.93630000000003
+125065,Please modify the molecule CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)C1 to decrease its MR value.,CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)C1,94.36210000000005
+188230,Optimize the molecule C[C@H]1CCCC[C@@H]1NC(=O)CSc1nncn1-c1cccc(Cl)c1 to have a higher MR value.,C[C@H]1CCCC[C@@H]1NC(=O)CSc1nncn1-c1cccc(Cl)c1,96.65570000000004
+55328,Please modify the molecule Cc1nc(N2CCCC2)nc2c1C(=O)CC(C)(C)C2 to increase its MR value.,Cc1nc(N2CCCC2)nc2c1C(=O)CC(C)(C)C2,74.64850000000004
+107048,Modify the molecule C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Oc1cccc(C(=O)[O-])c1 to have a lower MR value.,C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Oc1cccc(C(=O)[O-])c1,91.63950000000006
+237137,Optimize the molecule CC(C)Oc1ccc([C@H](C)[NH+]2C[C@@H](N)C[C@@H](C)C2)cc1 to have a lower MR value.,CC(C)Oc1ccc([C@H](C)[NH+]2C[C@@H](N)C[C@@H](C)C2)cc1,83.07410000000006
+68181,Optimize the molecule O=C(CCc1nc2c(F)cccc2[nH]1)O[C@@H]1CCC[C@H](C(F)(F)F)C1 to have a higher MR value.,O=C(CCc1nc2c(F)cccc2[nH]1)O[C@@H]1CCC[C@H](C(F)(F)F)C1,82.26570000000002
+73499,Please optimize the molecule C/C(CC(C)C)=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 to have a lower MR value.,C/C(CC(C)C)=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1,78.13660000000002
+178577,Modify the molecule CC1(C)CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCS1 to decrease its MR value.,CC1(C)CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCS1,99.40740000000005
+44436,Please optimize the molecule C[C@@H]1OCCN(CN2Cc3ccc(F)cc3C2=O)[C@H]1C to have a lower MR value.,C[C@@H]1OCCN(CN2Cc3ccc(F)cc3C2=O)[C@H]1C,72.72250000000004
+163467,Please modify the molecule CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O to decrease its MR value.,CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O,113.72970000000004
+16492,Modify the molecule CCOc1ccccc1NCCn1nc2ccccn2c1=O to have a higher MR value.,CCOc1ccccc1NCCn1nc2ccccn2c1=O,85.55270000000003
+128620,Please modify the molecule Cc1ccc(C)c(CSc2ccc(Cl)nn2)c1 to decrease its MR value.,Cc1ccc(C)c(CSc2ccc(Cl)nn2)c1,72.51900000000002
+71615,Please optimize the molecule Cc1cc(C)c(NC(=O)CN(C)C(=O)Cc2cccs2)c(C)c1 to have a lower MR value.,Cc1cc(C)c(NC(=O)CN(C)C(=O)Cc2cccs2)c(C)c1,94.94270000000003
+43438,Please modify the molecule CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(C)on2)c1 to increase its MR value.,CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(C)on2)c1,79.80870000000003
+73471,Optimize the molecule Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N/N=C/c2cc(Cl)cc(O)c2O)c1 to have a higher MR value.,Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N/N=C/c2cc(Cl)cc(O)c2O)c1,110.09479999999999
+220850,Please optimize the molecule CNC(=O)c1ccc(NC(=O)NCC(C)(C)CC(C)C)c(Cl)c1 to have a lower MR value.,CNC(=O)c1ccc(NC(=O)NCC(C)(C)CC(C)C)c(Cl)c1,95.09960000000004
+3881,Please optimize the molecule O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1N1CCCC1 to have a higher MR value.,O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1N1CCCC1,101.41690000000006
+50954,Modify the molecule C[C@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 to have a higher MR value.,C[C@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)C1,99.13870000000006
+220778,Please modify the molecule COc1ccc(Cl)cc1NC(=O)OC(C)C to decrease its MR value.,COc1ccc(Cl)cc1NC(=O)OC(C)C,63.24370000000003
+129171,Optimize the molecule Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCCC[C@H]2C)o1 to have a lower MR value.,Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCCC[C@H]2C)o1,92.81470000000003
+12609,Please optimize the molecule Nc1c(-c2ccccn2)nsc1C(=O)NC1CCCC1 to have a higher MR value.,Nc1c(-c2ccccn2)nsc1C(=O)NC1CCCC1,79.47960000000003
+93234,Optimize the molecule Cn1c(=O)c2sccc2n2c(C[NH+](C)CCCc3ccccc3)nnc12 to have a lower MR value.,Cn1c(=O)c2sccc2n2c(C[NH+](C)CCCc3ccccc3)nnc12,103.83170000000003
+50972,Please optimize the molecule Cc1cccc(Oc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3cccs3)cc2)c1 to have a higher MR value.,Cc1cccc(Oc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3cccs3)cc2)c1,110.42720000000001
+63173,Please optimize the molecule CC(C)CC(=O)NCC#CCOc1ccc2c(c1)OCO2 to have a lower MR value.,CC(C)CC(=O)NCC#CCOc1ccc2c(c1)OCO2,78.30070000000003
+13410,Please optimize the molecule O=C(/C=C/c1ccccc1)Nc1ccc(O)cc1C(=O)[O-] to have a lower MR value.,O=C(/C=C/c1ccccc1)Nc1ccc(O)cc1C(=O)[O-],76.54300000000002
+244434,Optimize the molecule O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](O)c2cccs2)cc1 to have a lower MR value.,O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](O)c2cccs2)cc1,82.18070000000003
+130059,Modify the molecule CC(=O)N(c1ccc(F)cc1)c1nc(CNC2(C)Cc3ccccc3C2)cs1 to have a higher MR value.,CC(=O)N(c1ccc(F)cc1)c1nc(CNC2(C)Cc3ccccc3C2)cs1,110.42870000000003
+184717,Optimize the molecule C[C@]1(c2ccc(F)cc2F)NC(=O)N(CCOc2ccccc2)C1=O to have a lower MR value.,C[C@]1(c2ccc(F)cc2F)NC(=O)N(CCOc2ccccc2)C1=O,85.89170000000004
+222037,Modify the molecule Cc1cc(Sc2nc(NC(C)C)nc(NC(C)C)n2)nc(Cl)n1 to decrease its MR value.,Cc1cc(Sc2nc(NC(C)C)nc(NC(C)C)n2)nc(Cl)n1,93.24640000000002
+83119,Please modify the molecule Cc1ncc(C(=O)N2CCNC[C@@H]2C(=O)Nc2ccc(F)cc2)c(C)n1 to increase its MR value.,Cc1ncc(C(=O)N2CCNC[C@@H]2C(=O)Nc2ccc(F)cc2)c(C)n1,94.22990000000003
+103697,Please optimize the molecule [NH3+][C@@H](Cc1ccc(OC(F)F)cc1)C(=O)[O-] to have a higher MR value.,[NH3+][C@@H](Cc1ccc(OC(F)F)cc1)C(=O)[O-],48.46110000000001
+117950,Modify the molecule Cc1sc(-c2cnccn2)nc1-c1cccc(Cl)c1 to decrease its MR value.,Cc1sc(-c2cnccn2)nc1-c1cccc(Cl)c1,78.32300000000001
+240146,Please optimize the molecule Cc1nc(C[NH+]2CCN(Cc3c[nH]nc3C)CC2)no1 to have a higher MR value.,Cc1nc(C[NH+]2CCN(Cc3c[nH]nc3C)CC2)no1,72.03740000000003
+137939,Modify the molecule COc1cccc(CNC(=O)CCNC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c1 to increase its MR value.,COc1cccc(CNC(=O)CCNC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c1,128.63160000000002
+134863,Modify the molecule O=C(Cc1c(F)cccc1Cl)Nc1ccc(Cc2nnn[n-]2)cc1 to have a higher MR value.,O=C(Cc1c(F)cccc1Cl)Nc1ccc(Cc2nnn[n-]2)cc1,86.13870000000001
+205289,Modify the molecule COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]1c1cccc(Br)c1 to decrease its MR value.,COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]1c1cccc(Br)c1,107.36770000000004
+21340,Please optimize the molecule CC1(C)C(Cn2c(N)[nH+]c3ccc(F)cc32)C1(C)C to have a higher MR value.,CC1(C)C(Cn2c(N)[nH+]c3ccc(F)cc32)C1(C)C,73.91610000000003
+125399,Modify the molecule CC(=O)Nc1ccc(N2CCCCCC2)c(C(=O)[O-])c1 to have a lower MR value.,CC(=O)Nc1ccc(N2CCCCCC2)c(C(=O)[O-])c1,75.75720000000003
+243920,Please optimize the molecule CN(C)C(=O)CCCC(=O)Nc1nc2c3c(ccc2s1)CCCC3 to have a higher MR value.,CN(C)C(=O)CCCC(=O)Nc1nc2c3c(ccc2s1)CCCC3,97.43670000000006
+231675,Optimize the molecule COc1ccc([C@H](NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)C(C)C)cc1 to have a lower MR value.,COc1ccc([C@H](NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)C(C)C)cc1,100.88370000000003
+167906,Optimize the molecule CCn1cc(C(=O)N2CC[NH+](CCC(C)C)CC2)cn1 to have a lower MR value.,CCn1cc(C(=O)N2CC[NH+](CCC(C)C)CC2)cn1,78.82320000000004
+237276,Modify the molecule Cc1sc2nc([C@H](C)OC(=O)Cc3coc4cc5c(cc34)CCC5)[nH]c(=O)c2c1C to increase its MR value.,Cc1sc2nc([C@H](C)OC(=O)Cc3coc4cc5c(cc34)CCC5)[nH]c(=O)c2c1C,116.16470000000005
+202554,Optimize the molecule C[C@@H](O[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 to have a higher MR value.,C[C@@H](O[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1,64.87410000000004
+168182,Please optimize the molecule CN(C(=O)C[S@](=O)c1cccc(F)c1)C1CC1 to have a higher MR value.,CN(C(=O)C[S@](=O)c1cccc(F)c1)C1CC1,63.46740000000003
+131488,Optimize the molecule CCCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1 to have a lower MR value.,CCCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1,106.21870000000003
+16789,Please modify the molecule CCN(CC)C(=O)C[NH+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 to increase its MR value.,CCN(CC)C(=O)C[NH+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1,107.93670000000004
+20102,Modify the molecule CNC(=O)c1ccc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH+]n1 to have a higher MR value.,CNC(=O)c1ccc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH+]n1,100.00460000000005
+208124,Please optimize the molecule Cc1ccc(-n2c(SCC(=O)Nc3ccc4cn[nH]c4c3)nc3ccccc3c2=O)cc1 to have a higher MR value.,Cc1ccc(-n2c(SCC(=O)Nc3ccc4cn[nH]c4c3)nc3ccccc3c2=O)cc1,127.5244
+103039,Please modify the molecule CCN(CC)S(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1 to decrease its MR value.,CCN(CC)S(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1,87.49850000000006
+202201,Modify the molecule Cc1ccc(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)s1 to have a higher MR value.,Cc1ccc(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)s1,104.22610000000005
+203733,Optimize the molecule O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)cc(Br)c1O to have a lower MR value.,O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)cc(Br)c1O,99.87930000000001
+227305,Modify the molecule O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C(=O)Nc2cccs2)CC1 to increase its MR value.,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C(=O)Nc2cccs2)CC1,102.7104
+186824,Modify the molecule CC(C)C[C@@]1(C)C[NH+]=C(N)N1c1ccccc1Br to have a lower MR value.,CC(C)C[C@@]1(C)C[NH+]=C(N)N1c1ccccc1Br,79.50510000000004
+28382,Modify the molecule CCOc1cccc(CNCCc2ccc(Cl)cc2Cl)c1 to have a lower MR value.,CCOc1cccc(CNCCc2ccc(Cl)cc2Cl)c1,89.48370000000004
+77711,Optimize the molecule CN1CCO[C@H](COc2ccc(C(N)=S)cc2)C1 to have a lower MR value.,CN1CCO[C@H](COc2ccc(C(N)=S)cc2)C1,75.06140000000003
+132839,Optimize the molecule C[C@H](Sc1nnc(Nc2ccccc2)s1)c1nnnn1-c1ccccc1 to have a lower MR value.,C[C@H](Sc1nnc(Nc2ccccc2)s1)c1nnnn1-c1ccccc1,103.0597
+93898,Please optimize the molecule Cc1cc(F)c([C@](C)(NC2CCCC2)C(N)=O)cc1F to have a lower MR value.,Cc1cc(F)c([C@](C)(NC2CCCC2)C(N)=O)cc1F,73.03310000000002
+25870,Modify the molecule CC(C)c1[nH+]ccn1[C@H](C)C(=O)Nc1ncc(Cc2ccccc2)s1 to have a higher MR value.,CC(C)c1[nH+]ccn1[C@H](C)C(=O)Nc1ncc(Cc2ccccc2)s1,99.77940000000004
+137790,Modify the molecule COc1ccc(Cl)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] to increase its MR value.,COc1ccc(Cl)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-],75.81960000000001
+163405,Modify the molecule CN(CC(C)(C)S(C)(=O)=O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 to have a higher MR value.,CN(CC(C)(C)S(C)(=O)=O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21,87.79860000000005
+71241,Please optimize the molecule CC[C@@H](NC(=O)C([NH3+])(CC)CC)c1ccc(OC)cc1 to have a lower MR value.,CC[C@@H](NC(=O)C([NH3+])(CC)CC)c1ccc(OC)cc1,80.36980000000004
+120249,Optimize the molecule CCc1ccc([C@H]2CCCN2S(=O)(=O)NCc2noc(C)n2)o1 to have a lower MR value.,CCc1ccc([C@H]2CCCN2S(=O)(=O)NCc2noc(C)n2)o1,81.56150000000002
+7448,Modify the molecule Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2cc(C(C)C)nc(N)n2)c1C to have a higher MR value.,Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2cc(C(C)C)nc(N)n2)c1C,109.45260000000003
+180857,Please optimize the molecule C[C@@H](CC(=O)[O-])Cc1nnc(C2C(C)(C)C2(C)C)o1 to have a higher MR value.,C[C@@H](CC(=O)[O-])Cc1nnc(C2C(C)(C)C2(C)C)o1,67.09300000000003
+215997,Modify the molecule Cn1cccc1C(=O)NNC(=O)c1cc2ccccc2cc1OC(F)F to have a higher MR value.,Cn1cccc1C(=O)NNC(=O)c1cc2ccccc2cc1OC(F)F,90.92540000000002
+209811,Please modify the molecule Cc1nc(-c2ccc(NC(=O)c3ccc(-n4cncn4)cc3)cc2)cs1 to decrease its MR value.,Cc1nc(-c2ccc(NC(=O)c3ccc(-n4cncn4)cc3)cc2)cs1,101.59920000000001
+196687,Modify the molecule COc1ccc([C@H](CNC(=O)c2ccc(-n3cccc3)cc2)N2CCOCC2)cc1 to have a higher MR value.,COc1ccc([C@H](CNC(=O)c2ccc(-n3cccc3)cc2)N2CCOCC2)cc1,116.22920000000005
+45414,Modify the molecule Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[NH+]21 to decrease its MR value.,Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[NH+]21,117.64480000000003
+213137,Optimize the molecule CNC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 to have a higher MR value.,CNC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1,58.96580000000003
+27474,Optimize the molecule C[C@@H](Nc1ccc(C(=O)N(C)C)nn1)c1ccccc1Cl to have a lower MR value.,C[C@@H](Nc1ccc(C(=O)N(C)C)nn1)c1ccccc1Cl,83.53920000000004
+96789,Please optimize the molecule N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2c(s1)CCCC2 to have a higher MR value.,N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2c(s1)CCCC2,121.24000000000004
+220689,Modify the molecule CCc1nc2ccccc2n1C1CCN(C(=O)N[C@H]2CC(=O)N(C)C2)CC1 to decrease its MR value.,CCc1nc2ccccc2n1C1CCN(C(=O)N[C@H]2CC(=O)N(C)C2)CC1,103.52870000000006
+242322,Please modify the molecule CCOc1ccccc1/N=c1\scc(OC(C)=O)n1C(C)=O to decrease its MR value.,CCOc1ccccc1/N=c1\scc(OC(C)=O)n1C(C)=O,82.75250000000004
+144775,Please optimize the molecule CCc1nc2n(n1)CCC[C@@H]2NC(=O)C1CCN(C(=O)OCC(C)C)CC1 to have a higher MR value.,CCc1nc2n(n1)CCC[C@@H]2NC(=O)C1CCN(C(=O)OCC(C)C)CC1,100.00070000000007
+52905,Please optimize the molecule O=C1CC[C@@H](C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CN1 to have a higher MR value.,O=C1CC[C@@H](C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CN1,82.38440000000003
+42632,Optimize the molecule COc1ccc(-c2nnc3sc(-c4n[nH]cc4Br)nn23)cc1OC to have a lower MR value.,COc1ccc(-c2nnc3sc(-c4n[nH]cc4Br)nn23)cc1OC,92.48069999999998
+77275,Modify the molecule O=c1c2c3c(sc2ncn1/N=C/c1ccco1)CCCC3 to decrease its MR value.,O=c1c2c3c(sc2ncn1/N=C/c1ccco1)CCCC3,82.22200000000002
+75537,Please optimize the molecule CC(=O)C[C@H]1CCCCN1C(=O)c1cn[nH]c1C to have a higher MR value.,CC(=O)C[C@H]1CCCCN1C(=O)c1cn[nH]c1C,67.29820000000004
+110567,Optimize the molecule C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccc([S@](C)=O)cc3)CC2)C[C@H](C)O1 to have a higher MR value.,C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccc([S@](C)=O)cc3)CC2)C[C@H](C)O1,102.48810000000006
+12711,Please optimize the molecule COc1ccc(Cn2c(=S)[nH]c3cc(Cl)ccc3c2=O)cc1 to have a lower MR value.,COc1ccc(Cn2c(=S)[nH]c3cc(Cl)ccc3c2=O)cc1,90.49870000000001
+11029,Modify the molecule O=C(Cc1ccccc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 to have a lower MR value.,O=C(Cc1ccccc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1,108.92100000000005
+75683,Please modify the molecule COc1ccc([C@H](C)[NH+]2CC[C@H](C(=O)[O-])[C@@H]2C)cc1 to decrease its MR value.,COc1ccc([C@H](C)[NH+]2CC[C@H](C(=O)[O-])[C@@H]2C)cc1,69.81470000000004
+41357,Please modify the molecule CC[NH+]1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)c2nnnn2C2CCCC2)CC1 to decrease its MR value.,CC[NH+]1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)c2nnnn2C2CCCC2)CC1,125.53440000000005
+67981,Modify the molecule N#Cc1c(-c2ccc(Cl)cc2Cl)nn(-c2ccc(C(F)(F)F)cn2)c1N to decrease its MR value.,N#Cc1c(-c2ccc(Cl)cc2Cl)nn(-c2ccc(C(F)(F)F)cn2)c1N,90.9444
+12694,Please optimize the molecule O=S(=O)(NCc1nnc2c3ccccc3c(-c3ccc(Cl)cc3)nn12)c1ccc(F)cc1 to have a higher MR value.,O=S(=O)(NCc1nnc2c3ccccc3c(-c3ccc(Cl)cc3)nn12)c1ccc(F)cc1,119.15950000000001
+63515,Modify the molecule O=C([O-])[C@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2cccc(Cl)c2)n1 to have a lower MR value.,O=C([O-])[C@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2cccc(Cl)c2)n1,107.906
+80416,Modify the molecule COC[C@H](C)NC(=O)C(=O)Nc1ccc2nc(C)oc2c1 to decrease its MR value.,COC[C@H](C)NC(=O)C(=O)Nc1ccc2nc(C)oc2c1,76.85640000000002
+159876,Please optimize the molecule CC1(C)CCC[C@@H](C[NH+](CCO)C2CCCC2)[C@H]1O to have a lower MR value.,CC1(C)CCC[C@@H](C[NH+](CCO)C2CCCC2)[C@H]1O,77.16730000000005
+222853,Please optimize the molecule O=C(CCc1cccs1)NCCc1ccc2c(c1)OCCO2 to have a lower MR value.,O=C(CCc1cccs1)NCCc1ccc2c(c1)OCCO2,86.78570000000005
+23759,Modify the molecule CCCC[C@@H](C(C)=O)C(=O)OC to increase its MR value.,CCCC[C@@H](C(C)=O)C(=O)OC,45.71200000000002
+45862,Optimize the molecule O=C(CCn1nnc(-c2ccc(Br)cc2)n1)Nc1ccc(F)cc1 to have a higher MR value.,O=C(CCn1nnc(-c2ccc(Br)cc2)n1)Nc1ccc(F)cc1,90.59970000000003
+246087,Modify the molecule Cc1nc2ccccc2n1C[C@H](O)c1cc(F)ccc1F to increase its MR value.,Cc1nc2ccccc2n1C[C@H](O)c1cc(F)ccc1F,75.78780000000002
+146124,Optimize the molecule COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)c1 to have a lower MR value.,COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)c1,92.28550000000003
+196459,Modify the molecule CC(C)[NH+]1C[C@H](C)[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 to increase its MR value.,CC(C)[NH+]1C[C@H](C)[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1,89.96110000000007
+2977,Optimize the molecule O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 to have a higher MR value.,O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1,98.06100000000004
+245191,Modify the molecule Cc1ccccc1C(=O)Nc1ccc2c(=O)oc(-c3ccccc3C)[nH+]c2c1 to increase its MR value.,Cc1ccccc1C(=O)Nc1ccc2c(=O)oc(-c3ccccc3C)[nH+]c2c1,108.3449
+195552,Please optimize the molecule CC[C@H](C)NC(=O)[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1C)C(C)C to have a higher MR value.,CC[C@H](C)NC(=O)[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1C)C(C)C,106.71370000000006
+88343,Please modify the molecule CC(C)[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1 to increase its MR value.,CC(C)[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1,78.97940000000004
+221256,Modify the molecule C[C@@H]1CN(C(=O)CC2(O)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C to increase its MR value.,C[C@@H]1CN(C(=O)CC2(O)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C,96.17050000000006
+214022,Modify the molecule CC(=O)Nc1ccc(OC(=O)[C@H](NC(=O)c2cccs2)C(C)C)cc1 to decrease its MR value.,CC(=O)Nc1ccc(OC(=O)[C@H](NC(=O)c2cccs2)C(C)C)cc1,96.79190000000003
+71199,Optimize the molecule Cc1ccnc(-c2ccc(NC(=O)NC[C@@H]3CCO[C@H]3C(C)C)cc2)n1 to have a higher MR value.,Cc1ccnc(-c2ccc(NC(=O)NC[C@@H]3CCO[C@H]3C(C)C)cc2)n1,101.91140000000004
+144972,Modify the molecule CCOC(=O)c1cnc([C@@H]2CSCCO2)nc1[O-] to have a higher MR value.,CCOC(=O)c1cnc([C@@H]2CSCCO2)nc1[O-],63.45250000000003
+148653,Please modify the molecule FC(F)(F)c1ccnc(NCCc2nccc(-c3ccccc3)n2)n1 to decrease its MR value.,FC(F)(F)c1ccnc(NCCc2nccc(-c3ccccc3)n2)n1,86.69570000000002
+215267,Optimize the molecule O=C(Cc1ccc2c(c1)CCCC2)NCCNS(=O)(=O)c1ccccc1 to have a lower MR value.,O=C(Cc1ccc2c(c1)CCCC2)NCCNS(=O)(=O)c1ccccc1,101.42820000000003
+223095,Optimize the molecule Cc1ccc(N(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 to have a higher MR value.,Cc1ccc(N(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1,95.6362
+5692,Modify the molecule O=C(C1CCCCC1)N1CCCC[C@@H]1c1nc([O-])c2c(n1)C[NH+](C1CCCCC1)CC2 to decrease its MR value.,O=C(C1CCCCC1)N1CCCC[C@@H]1c1nc([O-])c2c(n1)C[NH+](C1CCCCC1)CC2,116.46870000000008
+238974,Please optimize the molecule C=C1C=C(C)[C@@H](C(=O)N2CC[C@]3(CCC[NH+](CC4CCCCC4)C3)C2)C(=O)N1 to have a lower MR value.,C=C1C=C(C)[C@@H](C(=O)N2CC[C@]3(CCC[NH+](CC4CCCCC4)C3)C2)C(=O)N1,109.53240000000008
+39658,Modify the molecule CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(N)=O to have a lower MR value.,CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(N)=O,72.60360000000001
+185929,Please optimize the molecule COc1ccc(COC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 to have a lower MR value.,COc1ccc(COC(=O)NNC(=O)c2ccc(Cl)cc2)cc1,85.23290000000001
+15978,Please optimize the molecule Cn1c(=O)c2c(nc(N/N=C\C(Br)=C/c3ccccc3)n2Cc2ccccc2)n(C)c1=O to have a higher MR value.,Cn1c(=O)c2c(nc(N/N=C\C(Br)=C/c3ccccc3)n2Cc2ccccc2)n(C)c1=O,131.21969999999996
+5566,Modify the molecule C[C@H]([NH2+][C@H](C)c1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1 to have a lower MR value.,C[C@H]([NH2+][C@H](C)c1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1,97.38920000000005
+163976,Modify the molecule O=C(C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 to decrease its MR value.,O=C(C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,134.04309999999998
+52987,Modify the molecule CCCOc1cccc(NC(=O)Nc2cnn(CCC)c2)c1 to decrease its MR value.,CCCOc1cccc(NC(=O)Nc2cnn(CCC)c2)c1,87.38740000000004
+215671,Please optimize the molecule Cc1ccc(C)c(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 to have a higher MR value.,Cc1ccc(C)c(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1,73.84830000000001
+63618,Optimize the molecule CCC1([C@H](O)c2cc(Br)ccc2OC)CCCC1 to have a lower MR value.,CCC1([C@H](O)c2cc(Br)ccc2OC)CCCC1,76.84580000000005
+53501,Modify the molecule CC[NH+](CC)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 to increase its MR value.,CC[NH+](CC)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1,70.48470000000002
+175258,Optimize the molecule CC[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1c[nH]c2ncccc12 to have a lower MR value.,CC[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1c[nH]c2ncccc12,102.61350000000003
+75944,Modify the molecule CCc1cccc2c(/C=C3/C(=O)Nc4ccccc43)cn(CC(=O)N3CCOCC3)c12 to decrease its MR value.,CCc1cccc2c(/C=C3/C(=O)Nc4ccccc43)cn(CC(=O)N3CCOCC3)c12,121.65770000000005
+137157,Please modify the molecule C[NH2+][C@]1(CO)CCC[C@@H]1CCOc1ccc(C)cc1 to increase its MR value.,C[NH2+][C@]1(CO)CCC[C@@H]1CCOc1ccc(C)cc1,76.29820000000005
+213104,Modify the molecule Cc1cc(F)ccc1-n1ncc(Br)c1N to decrease its MR value.,Cc1cc(F)ccc1-n1ncc(Br)c1N,60.37140000000001
+212248,Please optimize the molecule CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C1 to have a higher MR value.,CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C1,88.4341
+193684,Modify the molecule CCN(C(=O)CS(=O)(=O)NC)[C@H](C)c1cccc(OC)c1 to have a higher MR value.,CCN(C(=O)CS(=O)(=O)NC)[C@H](C)c1cccc(OC)c1,81.64250000000006
+39465,Modify the molecule CCOc1ccc(NC(=S)N/N=C2\C3CN4CCN(C3)CC2(CC)C4)cc1 to have a higher MR value.,CCOc1ccc(NC(=S)N/N=C2\C3CN4CCN(C3)CC2(CC)C4)cc1,113.49640000000002
+116940,Optimize the molecule Cc1ccc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])n1 to have a higher MR value.,Cc1ccc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])n1,85.23310000000004
+7188,Please optimize the molecule C[C@H]1CCC[C@H](NC(=O)N2CCCC[C@@H]2C)C1 to have a lower MR value.,C[C@H]1CCC[C@H](NC(=O)N2CCCC[C@@H]2C)C1,69.97070000000005
+119778,Modify the molecule C[C@H]1CCC[C@H](NC(=O)COC(=O)c2cccc3ccccc23)[C@@H]1C to increase its MR value.,C[C@H]1CCC[C@H](NC(=O)COC(=O)c2cccc3ccccc23)[C@@H]1C,98.34020000000007
+62360,Optimize the molecule c1ccc(-c2nccc([C@@H]3CCCN3c3ncccn3)n2)cc1 to have a lower MR value.,c1ccc(-c2nccc([C@@H]3CCCN3c3ncccn3)n2)cc1,88.82100000000004
+139459,Modify the molecule S=c1oc(-c2cccs2)nn1C[NH+]1CCCSCC1 to have a higher MR value.,S=c1oc(-c2cccs2)nn1C[NH+]1CCCSCC1,81.27870000000004
+196646,Modify the molecule Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)c3ccccc3)c2=O)cc1 to increase its MR value.,Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)c3ccccc3)c2=O)cc1,119.08650000000003
+75187,Optimize the molecule [NH3+]C1CC(CNC(=O)c2cccc(C(F)(F)F)c2F)C1 to have a lower MR value.,[NH3+]C1CC(CNC(=O)c2cccc(C(F)(F)F)c2F)C1,63.13530000000001
+241405,Please optimize the molecule O=[S@]1N/C(=C/c2ccc(Cl)cc2)NO1 to have a lower MR value.,O=[S@]1N/C(=C/c2ccc(Cl)cc2)NO1,54.92780000000002
+147912,Modify the molecule CC[NH2+][C@@H](Cc1ccc(Cl)s1)C1([NH+]2CCCC2)CCCC1 to decrease its MR value.,CC[NH2+][C@@H](Cc1ccc(Cl)s1)C1([NH+]2CCCC2)CCCC1,90.41710000000005
+184180,Please optimize the molecule C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(N2CCC(O)CC2)cc1 to have a higher MR value.,C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(N2CCC(O)CC2)cc1,105.75520000000006
+110697,Please modify the molecule O=C1/C(=C\c2ccncc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 to decrease its MR value.,O=C1/C(=C\c2ccncc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21,102.15730000000002
+25745,Please modify the molecule CCOC(=O)C1=C(C)NC2=NC(SC)=NC(=O)[C@@H]2[C@@H]1c1ccccn1 to decrease its MR value.,CCOC(=O)C1=C(C)NC2=NC(SC)=NC(=O)[C@@H]2[C@@H]1c1ccccn1,96.32870000000001
+193995,Modify the molecule CC(C)Oc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1 to increase its MR value.,CC(C)Oc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1,59.57800000000003
+228383,Please modify the molecule Cc1csc(N2CCN(CC(=O)NCc3ccccn3)CC2)n1 to increase its MR value.,Cc1csc(N2CCN(CC(=O)NCc3ccccn3)CC2)n1,91.58770000000004
+222034,Please modify the molecule CS[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 to increase its MR value.,CS[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1,94.90320000000006
+190077,Modify the molecule CC[C@H](C)C(=O)Nc1cnn(CC[NH+](C)C)c1 to have a lower MR value.,CC[C@H](C)C(=O)Nc1cnn(CC[NH+](C)C)c1,67.98940000000003
+132873,Modify the molecule O=C1C(=Cc2ccco2)C(=O)c2ccccc21 to have a lower MR value.,O=C1C(=Cc2ccco2)C(=O)c2ccccc21,61.788000000000025
+66119,Modify the molecule COc1ccc(Cl)c(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)c1 to have a lower MR value.,COc1ccc(Cl)c(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)c1,99.26040000000002
+245131,Please modify the molecule C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(-c2csnn2)cc1 to decrease its MR value.,C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(-c2csnn2)cc1,99.61170000000001
+136419,Modify the molecule CCOCc1ccc(CNC(=O)c2[nH]nc(C3CC3)c2Cl)cc1 to decrease its MR value.,CCOCc1ccc(CNC(=O)c2[nH]nc(C3CC3)c2Cl)cc1,88.51490000000003
+152024,Please optimize the molecule Cc1cccc([C@H]2Nc3c(ccc(C)c3C)[C@H]3C=CC[C@@H]32)c1 to have a lower MR value.,Cc1cccc([C@H]2Nc3c(ccc(C)c3C)[C@H]3C=CC[C@@H]32)c1,93.44670000000004
+44985,Modify the molecule CN(Cc1ccccc1)C(=O)[C@@H]1CSc2nccc(=O)n2C1 to increase its MR value.,CN(Cc1ccccc1)C(=O)[C@@H]1CSc2nccc(=O)n2C1,85.62700000000004
+22566,Modify the molecule CSCc1noc(CCC(=O)Nc2nc3c(cc2C#N)CCC3)n1 to have a higher MR value.,CSCc1noc(CCC(=O)Nc2nc3c(cc2C#N)CCC3)n1,89.44470000000003
+32022,Please modify the molecule Cc1ccc(C(=O)Nc2cc(C#N)ccc2Cl)s1 to increase its MR value.,Cc1ccc(C(=O)Nc2cc(C#N)ccc2Cl)s1,73.17620000000002
+173369,Optimize the molecule C[C@@H](OC(=O)c1scnc1C1CC1)c1cccc(F)c1 to have a higher MR value.,C[C@@H](OC(=O)c1scnc1C1CC1)c1cccc(F)c1,74.31950000000003
+243621,Optimize the molecule C[C@H]1CCC[C@@](C(=O)Cc2ccc(F)cc2)([NH+](C)C)C1 to have a lower MR value.,C[C@H]1CCC[C@@](C(=O)Cc2ccc(F)cc2)([NH+](C)C)C1,78.28470000000004
+167640,Please optimize the molecule Cc1nccn1Cc1cccc(CNC(=O)N2CCOCC2)c1 to have a lower MR value.,Cc1nccn1Cc1cccc(CNC(=O)N2CCOCC2)c1,87.13570000000004
+81504,Please optimize the molecule Cc1cn2c(=O)c(C(=O)N(C)Cc3ccc(F)cc3F)cnc2s1 to have a higher MR value.,Cc1cn2c(=O)c(C(=O)N(C)Cc3ccc(F)cc3F)cnc2s1,86.23150000000003
+136792,Please optimize the molecule Cc1c(F)cccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 to have a lower MR value.,Cc1c(F)cccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1,103.57790000000006
+203215,Modify the molecule Cc1nc(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cs1 to increase its MR value.,Cc1nc(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cs1,94.17240000000004
+9031,Modify the molecule CC1CCN(C(=O)c2ccc(NC[C@@H](C)C[C@@H](C)O)nc2)CC1 to decrease its MR value.,CC1CCN(C(=O)c2ccc(NC[C@@H](C)C[C@@H](C)O)nc2)CC1,92.49000000000005
+184628,Modify the molecule CC1(C)CCC(NC(=O)C[C@H](O)c2cccc(F)c2)CC1 to have a lower MR value.,CC1(C)CCC(NC(=O)C[C@H](O)c2cccc(F)c2)CC1,80.15650000000004
+185428,Modify the molecule O=C1CN(C(=O)NCCn2cccc2)CCN1 to have a higher MR value.,O=C1CN(C(=O)NCCn2cccc2)CCN1,62.41340000000003
+148561,Optimize the molecule Cc1ccccc1N1C[C@H](C(=O)Nc2cccc(-n3nnnc3C)c2)CC1=O to have a higher MR value.,Cc1ccccc1N1C[C@H](C(=O)Nc2cccc(-n3nnnc3C)c2)CC1=O,104.15970000000003
+51055,Please modify the molecule COc1ccc([C@@H](C#N)NC(=O)c2ccc3cc[nH]c3c2)c(OC)c1 to decrease its MR value.,COc1ccc([C@@H](C#N)NC(=O)c2ccc3cc[nH]c3c2)c(OC)c1,93.66490000000002
+162203,Modify the molecule CC(C)(C)[C@@H](C#N)NC(=O)c1cc(F)cc2[nH]c(=S)[nH]c12 to decrease its MR value.,CC(C)(C)[C@@H](C#N)NC(=O)c1cc(F)cc2[nH]c(=S)[nH]c12,79.76360000000003
+88149,Please optimize the molecule COc1ncccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C to have a lower MR value.,COc1ncccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C,89.77620000000006
+179982,Please modify the molecule OCC1(C[NH+]2CCC[C@@H]2CC2CCCCC2)COC1 to decrease its MR value.,OCC1(C[NH+]2CCC[C@@H]2CC2CCCCC2)COC1,75.24850000000006
+66342,Optimize the molecule CNC(=O)c1cccc(C[S@](=O)[C@H](C)c2ccccc2F)c1 to have a lower MR value.,CNC(=O)c1cccc(C[S@](=O)[C@H](C)c2ccccc2F)c1,86.49360000000004
+81607,Modify the molecule O=C(N[C@@H]1C[C@H]2CCCc3cccc1c32)N1CCO[C@H](c2nccs2)C1 to have a lower MR value.,O=C(N[C@@H]1C[C@H]2CCCc3cccc1c32)N1CCO[C@H](c2nccs2)C1,100.39070000000005
+138834,Modify the molecule O=C(CN1CCC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1F to decrease its MR value.,O=C(CN1CCC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1F,96.88740000000006
+37964,Optimize the molecule CCCc1cc(C(=O)NOCC)sc1C to have a higher MR value.,CCCc1cc(C(=O)NOCC)sc1C,62.143200000000036
+88288,Modify the molecule CCc1noc(CCCC(=O)N2C[C@H](C)S[C@H](C)C2)n1 to decrease its MR value.,CCc1noc(CCCC(=O)N2C[C@H](C)S[C@H](C)C2)n1,79.70900000000005
+127807,Modify the molecule COc1ccc(C)cc1NC(=O)c1nnn(-c2ccc(F)cc2)n1 to have a lower MR value.,COc1ccc(C)cc1NC(=O)c1nnn(-c2ccc(F)cc2)n1,84.7962
+20985,Modify the molecule COc1nccnc1N1CCC[C@@H](N2CCCC2=O)C1 to increase its MR value.,COc1nccnc1N1CCC[C@@H](N2CCCC2=O)C1,74.76600000000005
+108536,Optimize the molecule COc1cc(Cl)ccc1C(=O)NNC(=O)CC(C)(C)C to have a higher MR value.,COc1cc(Cl)ccc1C(=O)NNC(=O)CC(C)(C)C,77.68490000000003
+158296,Optimize the molecule Cc1cc(C[C@@H](C)NC(=O)C2(Oc3cccnc3C)CC[NH2+]CC2)[nH]n1 to have a higher MR value.,Cc1cc(C[C@@H](C)NC(=O)C2(Oc3cccnc3C)CC[NH2+]CC2)[nH]n1,97.85980000000004
+115217,Modify the molecule Cc1ccccc1CCNC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 to have a lower MR value.,Cc1ccccc1CCNC(=O)NC1CCN(C(=O)C2CCCCC2)CC1,107.59440000000006
+120932,Modify the molecule C[C@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H](c2ccccc2)O1 to decrease its MR value.,C[C@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H](c2ccccc2)O1,90.98800000000004
+58662,Please modify the molecule CNC(=O)c1cccc(NC(=O)NCC(C)(C)c2cccc(C)c2)c1C to increase its MR value.,CNC(=O)c1cccc(NC(=O)NCC(C)(C)c2cccc(C)c2)c1C,105.79560000000005
+35104,Modify the molecule Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)CCC2)cc1 to increase its MR value.,Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)CCC2)cc1,104.06950000000005
+183735,Optimize the molecule CC1(C(=O)NCCc2ccccc2)CCCC1 to have a lower MR value.,CC1(C(=O)NCCc2ccccc2)CCCC1,69.73070000000004
+9277,Please optimize the molecule CC(=O)Nc1ccc(C)c(NC(=O)[C@H](C[NH3+])CC(C)C)c1 to have a higher MR value.,CC(=O)Nc1ccc(C)c(NC(=O)[C@H](C[NH3+])CC(C)C)c1,84.81250000000003
+42966,Modify the molecule Nc1nnc(CCNc2nccc(C3CCCC3)n2)s1 to increase its MR value.,Nc1nnc(CCNc2nccc(C3CCCC3)n2)s1,79.75610000000003
+174830,Please optimize the molecule Cn1cc([C@H]2CCC[NH+]2Cc2noc(C3CC3)n2)cn1 to have a higher MR value.,Cn1cc([C@H]2CCC[NH+]2Cc2noc(C3CC3)n2)cn1,70.98970000000003
+176651,Optimize the molecule CCC(=O)N1CCN(c2ccccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 to have a lower MR value.,CCC(=O)N1CCN(c2ccccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1,119.37770000000009
+140252,Optimize the molecule O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)NC1CC[NH+](Cc2ccccc2)CC1 to have a higher MR value.,O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)NC1CC[NH+](Cc2ccccc2)CC1,131.0151
+122476,Please optimize the molecule C[C@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 to have a lower MR value.,C[C@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1,102.67740000000005
+129115,Modify the molecule COC[C@H](NC(=O)c1cnc2c(cnn2CC(C)C)c1)C(N)=O to have a lower MR value.,COC[C@H](NC(=O)c1cnc2c(cnn2CC(C)C)c1)C(N)=O,84.69060000000003
+131032,Optimize the molecule Cc1n[nH]c2ncc(C(=O)Nc3nnc(C4CC4)s3)cc12 to have a higher MR value.,Cc1n[nH]c2ncc(C(=O)Nc3nnc(C4CC4)s3)cc12,78.46290000000002
+36012,Optimize the molecule CCOCc1ccc(NC(=O)Cc2c(C)noc2Cl)cc1 to have a higher MR value.,CCOCc1ccc(NC(=O)Cc2c(C)noc2Cl)cc1,80.35570000000003
+234660,Modify the molecule COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(O)c(Cl)c1)CC3 to have a lower MR value.,COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(O)c(Cl)c1)CC3,101.19950000000001
+235868,Please modify the molecule Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC[NH2+]CC2)cc1 to decrease its MR value.,Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC[NH2+]CC2)cc1,119.47310000000004
+40137,Modify the molecule CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccccc1 to have a lower MR value.,CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccccc1,98.28340000000003
+43945,Modify the molecule O=C(Nc1ccc2c(c1)COC2)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 to have a higher MR value.,O=C(Nc1ccc2c(c1)COC2)c1ccn(-c2ccc(Cl)c(Cl)c2)n1,96.47220000000002
+197009,Please optimize the molecule COc1ccc(-c2ncc([C@@H]3C[C@H]4CN(c5ccccc5)C(=O)[C@]45CCCN35)cn2)cc1 to have a lower MR value.,COc1ccc(-c2ncc([C@@H]3C[C@H]4CN(c5ccccc5)C(=O)[C@]45CCCN35)cn2)cc1,122.33400000000005
+40219,Optimize the molecule CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2c(F)cccc2F)C1 to have a lower MR value.,CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2c(F)cccc2F)C1,87.85780000000003
+40864,Modify the molecule Cc1nc(C)c(C(=O)Nc2ccccc2)s1 to decrease its MR value.,Cc1nc(C)c(C(=O)Nc2ccccc2)s1,65.98320000000002
+108749,Modify the molecule CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)nnc1-c1ccco1 to decrease its MR value.,CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)nnc1-c1ccco1,101.51450000000003
+11191,Please optimize the molecule O=c1[nH]c(=S)[nH]c([O-])c1/C=N/CCCN1CCOCC1 to have a higher MR value.,O=c1[nH]c(=S)[nH]c([O-])c1/C=N/CCCN1CCOCC1,76.03040000000003
+113230,Please modify the molecule NC(=O)[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1 to increase its MR value.,NC(=O)[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1,96.41310000000001
+16580,Modify the molecule CCC(=O)N(C)c1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 to increase its MR value.,CCC(=O)N(C)c1ccccc1C(=O)Nc1ccc2c(c1)OCCO2,95.52820000000006
+83280,Modify the molecule O=C([O-])c1ccc(Cn2ccnc2C[NH2+]C2CC2)cc1 to have a higher MR value.,O=C([O-])c1ccc(Cn2ccnc2C[NH2+]C2CC2)cc1,70.75290000000003
+34802,Please modify the molecule C[NH+]1CCc2nc(C3CCN(C(=O)c4cc[nH]n4)CC3)ncc2C1 to decrease its MR value.,C[NH+]1CCc2nc(C3CCN(C(=O)c4cc[nH]n4)CC3)ncc2C1,87.65990000000004
+39281,Please modify the molecule COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCCc4ccccc43)cc2c1 to increase its MR value.,COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCCc4ccccc43)cc2c1,131.86369999999997
+120150,Please optimize the molecule CCc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c1 to have a lower MR value.,CCc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c1,110.51340000000005
+107145,Modify the molecule COc1ccc([C@@H]2[C@@H](C(=O)OC(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC to increase its MR value.,COc1ccc([C@@H]2[C@@H](C(=O)OC(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC,127.32200000000006
+127114,Please modify the molecule O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1N1CCN(c2cccc[nH+]2)CC1 to increase its MR value.,O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1N1CCN(c2cccc[nH+]2)CC1,103.57380000000003
+247367,Modify the molecule Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 to increase its MR value.,Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1,94.46820000000001
+129563,Please modify the molecule CO[C@H](C)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 to increase its MR value.,CO[C@H](C)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12,77.49020000000003
+53909,Optimize the molecule CCc1ccc([C@@H]2CCCCCN2C(=O)C2CC2)o1 to have a higher MR value.,CCc1ccc([C@@H]2CCCCCN2C(=O)C2CC2)o1,73.73200000000004
+5439,Modify the molecule Cc1csc([C@H](NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C2CC2)n1 to have a higher MR value.,Cc1csc([C@H](NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C2CC2)n1,95.39640000000003
+74391,Please modify the molecule COc1ccccc1[C@H](NC(=O)N1CCCC[C@H]1C(C)C)c1ccccn1 to decrease its MR value.,COc1ccccc1[C@H](NC(=O)N1CCCC[C@H]1C(C)C)c1ccccn1,106.78870000000005
+75451,Optimize the molecule COc1ccc(C2(O)C[C@@H]3CC[C@H](C2)[NH+]3Cc2cc(OC)c(O)cc2Cl)cc1 to have a higher MR value.,COc1ccc(C2(O)C[C@@H]3CC[C@H](C2)[NH+]3Cc2cc(OC)c(O)cc2Cl)cc1,107.27030000000003
+205573,Modify the molecule CCCC[C@H](NC(=O)CC1([NH3+])CCC1)C(=O)[O-] to have a lower MR value.,CCCC[C@H](NC(=O)CC1([NH3+])CCC1)C(=O)[O-],60.54980000000003
+237218,Modify the molecule CCNC(=O)[C@H](C)Nc1ccc2c(c1)OCCO2 to decrease its MR value.,CCNC(=O)[C@H](C)Nc1ccc2c(c1)OCCO2,69.20040000000004
+107363,Modify the molecule COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4ccc(O)cc4)CC3)C2=O)cc1Cl to increase its MR value.,COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4ccc(O)cc4)CC3)C2=O)cc1Cl,109.68050000000004
+215883,Please optimize the molecule COC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 to have a lower MR value.,COC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1,90.72170000000006
+79435,Please modify the molecule O=C1CS(=O)(=O)[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 to increase its MR value.,O=C1CS(=O)(=O)[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1,86.91780000000003
+143911,Modify the molecule C[C@H]1C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 to have a higher MR value.,C[C@H]1C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2,66.95970000000001
+246278,Please modify the molecule O=S(=O)(Cc1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 to increase its MR value.,O=S(=O)(Cc1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1,90.47580000000006
+128921,Modify the molecule COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)NC2=O)cc1 to have a higher MR value.,COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)NC2=O)cc1,92.11270000000002
+65387,Modify the molecule Cc1nc2ccccc2n1CCSc1ccccc1 to have a higher MR value.,Cc1nc2ccccc2n1CCSc1ccccc1,81.63600000000004
+178820,Optimize the molecule CCC/C(=N\CCC1=c2cc(C)ccc2=[NH+][C@@H]1C)C1=C([O-])CCCC1=O to have a lower MR value.,CCC/C(=N\CCC1=c2cc(C)ccc2=[NH+][C@@H]1C)C1=C([O-])CCCC1=O,101.07570000000005
+68734,Modify the molecule C[C@@H]([NH2+]C[C@@H]1CNc2c(C(N)=O)cnn2C1)c1cccc2ccccc12 to decrease its MR value.,C[C@@H]([NH2+]C[C@@H]1CNc2c(C(N)=O)cnn2C1)c1cccc2ccccc12,101.88000000000002
+194999,Optimize the molecule Cc1ccccc1[C@H](NC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C(C)(C)C to have a higher MR value.,Cc1ccccc1[C@H](NC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C(C)(C)C,114.69540000000008
+210792,Optimize the molecule COc1ccc(C[NH+]2CC[C@@H](c3ccccc3OC)C2)cc1O to have a lower MR value.,COc1ccc(C[NH+]2CC[C@@H](c3ccccc3OC)C2)cc1O,89.41150000000005
+41890,Optimize the molecule CC(=O)c1ccc(NC(=O)/C=C/c2c(C)nn(C)c2Cl)cc1C to have a lower MR value.,CC(=O)c1ccc(NC(=O)/C=C/c2c(C)nn(C)c2Cl)cc1C,91.80220000000003
+166294,Please modify the molecule C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O to decrease its MR value.,C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O,119.31740000000003
+205659,Please modify the molecule CCOC(=O)Nc1cccc(NC(=O)C#Cc2ccccc2)c1C to decrease its MR value.,CCOC(=O)Nc1cccc(NC(=O)C#Cc2ccccc2)c1C,93.77340000000002
+20394,Optimize the molecule CCc1c(Cl)cc(N)c(O)c1Cl to have a lower MR value.,CCc1c(Cl)cc(N)c(O)c1Cl,51.917200000000015
+216011,Please optimize the molecule Cc1nnc(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)s1 to have a lower MR value.,Cc1nnc(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)s1,96.24500000000005
+182244,Modify the molecule CCn1nc(C)c(NCc2cnc(-c3ccccn3)s2)c1C to increase its MR value.,CCn1nc(C)c(NCc2cnc(-c3ccccn3)s2)c1C,90.04670000000004
+208001,Modify the molecule Cc1ccc(F)cc1NC(=O)[C@H](C)S(=O)(=O)CC(F)(F)F to decrease its MR value.,Cc1ccc(F)cc1NC(=O)[C@H](C)S(=O)(=O)CC(F)(F)F,69.07050000000002
+245879,Modify the molecule CC(=O)C1=C(C)C(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)=N[C@H]1C to increase its MR value.,CC(=O)C1=C(C)C(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)=N[C@H]1C,98.10800000000003
+60448,Please modify the molecule CCN[C@@H](c1cncnc1)[C@@H]1CSCCS1 to decrease its MR value.,CCN[C@@H](c1cncnc1)[C@@H]1CSCCS1,72.02070000000003
+19899,Optimize the molecule C[C@H](O)CN1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1 to have a lower MR value.,C[C@H](O)CN1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1,89.09690000000003
+25049,Modify the molecule CCONC(=O)c1cc(Br)ccc1F to have a higher MR value.,CCONC(=O)c1cc(Br)ccc1F,53.192200000000014
+80992,Modify the molecule CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 to have a lower MR value.,CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1,118.47710000000005
+34410,Please optimize the molecule O=C1CCCC[C@H]1[C@@](O)(C(=O)c1ccccc1)c1ccccc1 to have a higher MR value.,O=C1CCCC[C@H]1[C@@](O)(C(=O)c1ccccc1)c1ccccc1,88.07630000000005
+4931,Modify the molecule Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1 to decrease its MR value.,Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1,102.97250000000003
+229785,Modify the molecule C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)c1nc(-c2ccccc2)no1 to decrease its MR value.,C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)c1nc(-c2ccccc2)no1,93.82840000000003
+147254,Modify the molecule O=C([O-])[C@H]1CSCN1C(=O)Nc1ccc(F)cc1F to increase its MR value.,O=C([O-])[C@H]1CSCN1C(=O)Nc1ccc(F)cc1F,63.33570000000001
+149882,Please modify the molecule Cc1ccc([C@]23CCC(=O)N2[C@H](C(=O)Nc2ccc4c(C)cc(=O)oc4c2)CS3)cc1 to increase its MR value.,Cc1ccc([C@]23CCC(=O)N2[C@H](C(=O)Nc2ccc4c(C)cc(=O)oc4c2)CS3)cc1,121.03370000000002
+178625,Modify the molecule O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1Cc2ccccc2O1 to increase its MR value.,O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1Cc2ccccc2O1,90.6577
+135843,Please modify the molecule CCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 to increase its MR value.,CCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1,99.92090000000002
+111786,Please optimize the molecule CON(C)C(=O)CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 to have a higher MR value.,CON(C)C(=O)CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1,87.65900000000005
+114412,Modify the molecule CCc1nnsc1C(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 to have a lower MR value.,CCc1nnsc1C(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1,100.06050000000006
+1845,Please modify the molecule COc1ccc(OCc2nc(C)no2)c(/C=C/C(=O)[O-])c1 to increase its MR value.,COc1ccc(OCc2nc(C)no2)c(/C=C/C(=O)[O-])c1,70.40200000000002
+164175,Optimize the molecule CCOc1ccc(NC(=O)CN2CC[NH+]([C@@H]3CC[C@H](CC)C3)CC2)cc1 to have a higher MR value.,CCOc1ccc(NC(=O)CN2CC[NH+]([C@@H]3CC[C@H](CC)C3)CC2)cc1,104.79740000000005
+27346,Please optimize the molecule Cc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)[nH+]c2)no1 to have a lower MR value.,Cc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)[nH+]c2)no1,101.71470000000002
+205083,Modify the molecule O=C(COc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F to have a higher MR value.,O=C(COc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F,83.64110000000001
+147032,Modify the molecule C[C@@H]1CC[C@H](C(C)(C)c2cc(Br)ccc2F)C(=O)C1 to have a higher MR value.,C[C@@H]1CC[C@H](C(C)(C)c2cc(Br)ccc2F)C(=O)C1,78.63800000000003
+16480,Please modify the molecule CCOC(=O)NC1=c2c(OC)cccc2=[NH+][C@H]1C(=O)OC to increase its MR value.,CCOC(=O)NC1=c2c(OC)cccc2=[NH+][C@H]1C(=O)OC,71.67940000000002
+58141,Modify the molecule COC(=O)c1ccccc1C(=O)N(C)[C@H](C)Cc1cc(C)ccn1 to increase its MR value.,COC(=O)c1ccccc1C(=O)N(C)[C@H](C)Cc1cc(C)ccn1,92.01500000000004
+7965,Modify the molecule COc1ccc(CCn2c(C)cc(-c3csc(CC(=O)N4CCOCC4)n3)c2C)cc1 to decrease its MR value.,COc1ccc(CCn2c(C)cc(-c3csc(CC(=O)N4CCOCC4)n3)c2C)cc1,122.81500000000004
+115426,Modify the molecule O=C(C[n+]1cccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1)c1ccccc1 to increase its MR value.,O=C(C[n+]1cccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1)c1ccccc1,105.56609999999999
+60725,Optimize the molecule C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 to have a lower MR value.,C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1,100.95170000000003
+57994,Optimize the molecule CC(=O)NCc1ccc(-c2noc(/C=C/c3ccc(C)o3)n2)s1 to have a lower MR value.,CC(=O)NCc1ccc(-c2noc(/C=C/c3ccc(C)o3)n2)s1,87.50470000000003
+224544,Modify the molecule CC(C)[NH+]1CCCC[C@@H]1c1cncc(N2CCC(O)CC2)n1 to have a higher MR value.,CC(C)[NH+]1CCCC[C@@H]1c1cncc(N2CCC(O)CC2)n1,87.04350000000007
+15908,Modify the molecule CCc1nc(CN2CCC[C@H]([NH+](C)Cc3nc(C)c(C)o3)C2)no1 to have a higher MR value.,CCc1nc(CN2CCC[C@H]([NH+](C)Cc3nc(C)c(C)o3)C2)no1,88.54270000000004
+104838,Modify the molecule O=C(CSc1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 to have a higher MR value.,O=C(CSc1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1,103.31170000000006
+155947,Modify the molecule COc1ccc([N-]S(=O)(=O)c2cccc3nsnc23)cc1OCc1cn2ccccc2n1 to decrease its MR value.,COc1ccc([N-]S(=O)(=O)c2cccc3nsnc23)cc1OCc1cn2ccccc2n1,120.13780000000001
+166345,Modify the molecule CC(C)N(Cc1cccs1)C(=O)c1ccc(C[NH3+])o1 to decrease its MR value.,CC(C)N(Cc1cccs1)C(=O)c1ccc(C[NH3+])o1,74.62860000000003
+200381,Modify the molecule Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c(O)c1 to have a higher MR value.,Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c(O)c1,78.72150000000002
+213409,Modify the molecule O=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H](O)c1ccccc1 to decrease its MR value.,O=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H](O)c1ccccc1,94.82800000000003
+17926,Modify the molecule C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(CN2CCCCC2=O)c1 to have a lower MR value.,C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(CN2CCCCC2=O)c1,128.16220000000004
+31945,Please modify the molecule O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1 to increase its MR value.,O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1,73.65600000000005
+19811,Please optimize the molecule CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)NC)cc1 to have a higher MR value.,CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)NC)cc1,83.75740000000005
+208907,Modify the molecule Cc1cnc(S(=O)(=O)[C@@H](C)c2cccc(C)c2)nc1 to increase its MR value.,Cc1cnc(S(=O)(=O)[C@@H](C)c2cccc(C)c2)nc1,73.54880000000004
+117557,Modify the molecule CC(C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)=C1CCCC1 to have a lower MR value.,CC(C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)=C1CCCC1,85.14350000000005
+61358,Modify the molecule Cc1cccc(-c2cc(-c3cccc(C)c3)on2)c1 to increase its MR value.,Cc1cccc(-c2cc(-c3cccc(C)c3)on2)c1,76.84900000000003
+226176,Optimize the molecule CCn1c([C@@H]2CCC[NH+](Cc3ccc(C(=O)[O-])cc3)C2)nn(C)c1=O to have a higher MR value.,CCn1c([C@@H]2CCC[NH+](Cc3ccc(C(=O)[O-])cc3)C2)nn(C)c1=O,90.29020000000004
+17325,Modify the molecule COc1ccc(CCCNC(=O)NC[C@@H]2CCCO2)cc1 to have a higher MR value.,COc1ccc(CCCNC(=O)NC[C@@H]2CCCO2)cc1,81.69040000000005
+184292,Modify the molecule O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1cc2c(s1)SCC2 to have a higher MR value.,O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1cc2c(s1)SCC2,105.79490000000004
+100042,Optimize the molecule C[C@H]1C[C@@H](N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)C(=O)O1 to have a higher MR value.,C[C@H]1C[C@@H](N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)C(=O)O1,86.13270000000004
+84500,Please optimize the molecule Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1ccccc1C(F)(F)F to have a lower MR value.,Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1ccccc1C(F)(F)F,93.7008
+140508,Optimize the molecule CCc1nn(C)cc1CNC(=O)N1c2ccccc2C[C@H]1C to have a lower MR value.,CCc1nn(C)cc1CNC(=O)N1c2ccccc2C[C@H]1C,86.90870000000005
+12289,Modify the molecule Cc1cc(NC(=O)C(=O)N(C)Cc2ccncc2)c2ncccc2c1 to have a lower MR value.,Cc1cc(NC(=O)C(=O)N(C)Cc2ccncc2)c2ncccc2c1,95.82070000000003
+172759,Modify the molecule CCOC(=O)c1ccoc1CSc1nc2c(c(C)c1C#N)CCC2 to increase its MR value.,CCOC(=O)c1ccoc1CSc1nc2c(c(C)c1C#N)CCC2,89.93950000000004
+234977,Optimize the molecule C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O to have a lower MR value.,C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O,101.35640000000002
+31274,Modify the molecule COCCCNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1 to have a higher MR value.,COCCCNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1,83.08840000000002
+219808,Modify the molecule CCc1onc(C)c1NC(=O)c1cc(=O)[nH]c2cc(F)ccc12 to have a higher MR value.,CCc1onc(C)c1NC(=O)c1cc(=O)[nH]c2cc(F)ccc12,83.09790000000001
+46462,Modify the molecule Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)Cc1nc2ccccc2s1 to increase its MR value.,Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)Cc1nc2ccccc2s1,106.83970000000004
+125686,Please optimize the molecule N#Cc1cc2c(N)c(C(=O)Nc3cccnc3Cl)sc2nc1N to have a lower MR value.,N#Cc1cc2c(N)c(C(=O)Nc3cccnc3Cl)sc2nc1N,90.36
+196473,Modify the molecule O=C1c2ccccc2C(=O)N1CCCC(=O)N1CCCc2ccccc21 to increase its MR value.,O=C1c2ccccc2C(=O)N1CCCC(=O)N1CCCc2ccccc21,98.15900000000002
+61109,Please optimize the molecule C[C@@H]1CCN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)C[C@@H]1O to have a higher MR value.,C[C@@H]1CCN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)C[C@@H]1O,94.96600000000004
+203948,Please modify the molecule C[C@@H](c1nnc(SCC(=O)Nc2sccc2C#N)n1-c1ccc(Cl)cc1)[NH+](C)C to decrease its MR value.,C[C@@H](c1nnc(SCC(=O)Nc2sccc2C#N)n1-c1ccc(Cl)cc1)[NH+](C)C,115.9824
+221532,Please optimize the molecule CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccc(C(=O)NC)cc3)oc12 to have a lower MR value.,CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccc(C(=O)NC)cc3)oc12,107.78460000000004
+159278,Optimize the molecule C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCc2sccc2C1 to have a higher MR value.,C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCc2sccc2C1,82.00640000000004
+62522,Modify the molecule C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 to have a lower MR value.,C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(Cl)c([N+](=O)[O-])c1,80.23950000000002
+147171,Please optimize the molecule COc1ccc(CNC(=O)C2C[C@H](C)O[C@H](C)C2)cn1 to have a higher MR value.,COc1ccc(CNC(=O)C2C[C@H](C)O[C@H](C)C2)cn1,75.36870000000005
+209627,Please optimize the molecule O=C1c2ccccc2-c2nn(C[C@H](O)COCc3ccc4c(c3)OCO4)c3cccc1c23 to have a lower MR value.,O=C1c2ccccc2-c2nn(C[C@H](O)COCc3ccc4c(c3)OCO4)c3cccc1c23,116.82930000000003
+20727,Please optimize the molecule CCCOc1c(Cl)cc(C[NH+]2CCN(C3CC3)C(=O)C2)cc1OC to have a higher MR value.,CCCOc1c(Cl)cc(C[NH+]2CCN(C3CC3)C(=O)C2)cc1OC,92.92570000000006
+110943,Modify the molecule Cc1cccnc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O to have a lower MR value.,Cc1cccnc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O,97.35000000000005
+207683,Modify the molecule CCC[C@H](C)[NH2+][C@H](CO)c1ccc(CC)cc1 to have a lower MR value.,CCC[C@H](C)[NH2+][C@H](CO)c1ccc(CC)cc1,71.94220000000004
+207706,Modify the molecule Cc1ccc([C@@H](O)Cc2cccc(F)c2)c(F)c1 to have a lower MR value.,Cc1ccc([C@@H](O)Cc2cccc(F)c2)c(F)c1,66.20080000000002
+175263,Optimize the molecule CN(C)c1ccc(/C=C/C(=O)c2cc(Cl)ccc2O)cc1 to have a higher MR value.,CN(C)c1ccc(/C=C/C(=O)c2cc(Cl)ccc2O)cc1,87.25030000000002
+127107,Modify the molecule O=C(Nc1cccc(N2CCCNC2=O)c1)[C@@H]1CSc2ccccc21 to decrease its MR value.,O=C(Nc1cccc(N2CCCNC2=O)c1)[C@@H]1CSc2ccccc21,100.34040000000003
+232356,Please modify the molecule CNc1cc([C@H]2CCN2S(=O)(=O)c2ccccc2)nc(C)n1 to decrease its MR value.,CNc1cc([C@H]2CCN2S(=O)(=O)c2ccccc2)nc(C)n1,84.00750000000004
+138633,Optimize the molecule CCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C to have a lower MR value.,CCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C,94.78500000000004
+76482,Modify the molecule CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC to have a lower MR value.,CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC,93.90220000000004
+211623,Optimize the molecule Cc1nc2c(c(C)c1CCC(=O)NCc1ccc(=O)[nH]c1)c(=O)[nH]n2C to have a higher MR value.,Cc1nc2c(c(C)c1CCC(=O)NCc1ccc(=O)[nH]c1)c(=O)[nH]n2C,98.03910000000005
+1997,Please optimize the molecule C[C@H](CCc1ccc(F)c(F)c1)NC(=O)Cc1ccc[nH]1 to have a higher MR value.,C[C@H](CCc1ccc(F)c(F)c1)NC(=O)Cc1ccc[nH]1,76.78040000000003
+35016,Modify the molecule Cc1csc(NC(=O)CN2CCN(Cc3cccs3)CC2)n1 to have a lower MR value.,Cc1csc(NC(=O)CN2CCN(Cc3cccs3)CC2)n1,91.51670000000004
+247862,Modify the molecule Cc1ccc(N[C@@H]2CCCc3c2cnn3C)c(Br)c1 to increase its MR value.,Cc1ccc(N[C@@H]2CCCc3c2cnn3C)c(Br)c1,81.38870000000003
+104045,Modify the molecule COCC[NH+](C)CCNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 to have a higher MR value.,COCC[NH+](C)CCNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1,92.47140000000005
+202456,Modify the molecule O=C(c1ccc2c(c1)sc1nc(-c3ccccc3)cn12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 to decrease its MR value.,O=C(c1ccc2c(c1)sc1nc(-c3ccccc3)cn12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,139.75649999999985
+211942,Please modify the molecule C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1)C(N)=O to decrease its MR value.,C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1)C(N)=O,118.3694
+223895,Optimize the molecule COCC[C@]1(C)CC(=O)NC(=O)[C@@H]1C to have a higher MR value.,COCC[C@]1(C)CC(=O)NC(=O)[C@@H]1C,51.53070000000003
+210000,Please modify the molecule CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 to decrease its MR value.,CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1,85.29280000000003
+73265,Modify the molecule C[C@H](CNC(=O)c1cccc(-c2ccoc2)c1)N1CCOCC1 to increase its MR value.,C[C@H](CNC(=O)c1cccc(-c2ccoc2)c1)N1CCOCC1,88.33120000000005
+131724,Optimize the molecule CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2ccc(C)nc21 to have a higher MR value.,CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2ccc(C)nc21,95.37020000000005
+16382,Please modify the molecule COc1ccc(C[NH2+]Cc2csc(Br)c2)cc1OC to increase its MR value.,COc1ccc(C[NH2+]Cc2csc(Br)c2)cc1OC,80.89840000000004
+106403,Please optimize the molecule COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(Cl)cc1 to have a higher MR value.,COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(Cl)cc1,79.63180000000004
+134769,Please optimize the molecule O=C(COc1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1 to have a lower MR value.,O=C(COc1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1,94.45900000000006
+98570,Please modify the molecule Cc1cc(C)c(C[NH+]2CCN(CC(=O)Nc3nncs3)CC2)c(C)c1 to increase its MR value.,Cc1cc(C)c(C[NH+]2CCN(CC(=O)Nc3nncs3)CC2)c(C)c1,100.03240000000004
+102484,Optimize the molecule CCc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2 to have a lower MR value.,CCc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2,61.00740000000002
+176889,Modify the molecule NC(=O)NC(=O)CSc1nnnn1C1CCCCC1 to decrease its MR value.,NC(=O)NC(=O)CSc1nnnn1C1CCCCC1,68.38910000000001
+62716,Modify the molecule Cc1ccc(NC(=O)NC(=O)[C@H](C)[N+]23CCN(CC2)CC3)cc1 to have a lower MR value.,Cc1ccc(NC(=O)NC(=O)[C@H](C)[N+]23CCN(CC2)CC3)cc1,89.10380000000004
+6601,Please modify the molecule O=C1NCCN1c1nc(CC(=O)N2CC[C@H]3CCCC[C@H]32)cs1 to increase its MR value.,O=C1NCCN1c1nc(CC(=O)N2CC[C@H]3CCCC[C@H]32)cs1,88.63870000000004
+234749,Modify the molecule Cc1cccc2sc(NC(=O)c3ccc(=O)n(C)n3)nc12 to increase its MR value.,Cc1cccc2sc(NC(=O)c3ccc(=O)n(C)n3)nc12,81.78820000000002
+38673,Optimize the molecule Cc1ccc(CC(=O)NCCc2nnc3n2CCC3)cc1 to have a lower MR value.,Cc1ccc(CC(=O)NCCc2nnc3n2CCC3)cc1,79.93970000000003
+110675,Please modify the molecule Cc1csc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)n1 to increase its MR value.,Cc1csc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)n1,118.73570000000001
+132200,Modify the molecule Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cnn1-c1ccncc1 to have a higher MR value.,Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cnn1-c1ccncc1,84.94450000000005
+240852,Please optimize the molecule O=C([C@@H]1CCCN(c2nc3ccc(F)cc3s2)C1)N1CCc2ccccc2C1 to have a lower MR value.,O=C([C@@H]1CCCN(c2nc3ccc(F)cc3s2)C1)N1CCc2ccccc2C1,110.07800000000002
+23237,Optimize the molecule CC(=O)c1ccc(N2C(=O)C[C@H](SCC[NH3+])C2=O)cc1 to have a lower MR value.,CC(=O)c1ccc(N2C(=O)C[C@H](SCC[NH3+])C2=O)cc1,77.55760000000002
+19927,Please modify the molecule C[C@@H](CC#N)Sc1ccccc1NCc1noc(C2CC2)n1 to decrease its MR value.,C[C@@H](CC#N)Sc1ccccc1NCc1noc(C2CC2)n1,85.59070000000003
+71595,Please modify the molecule Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2o1 to decrease its MR value.,Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2o1,91.91240000000003
+84640,Please optimize the molecule CC[C@]1(C)C[C@]2(CC[NH2+]C[C@@H]2C)CCO1 to have a lower MR value.,CC[C@]1(C)C[C@]2(CC[NH2+]C[C@@H]2C)CCO1,61.75540000000005
+157447,Please modify the molecule CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccc2F)C1 to decrease its MR value.,CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccc2F)C1,77.04740000000002
+57904,Please optimize the molecule CCc1nn(C)cc1NC(=O)C1(c2ccc(F)cc2F)CCOCC1 to have a lower MR value.,CCc1nn(C)cc1NC(=O)C1(c2ccc(F)cc2F)CCOCC1,89.30470000000004
+144624,Optimize the molecule CO[C@]1(C)C[C@@H](NC(=O)CCn2cc(C)cn2)C1(C)C to have a higher MR value.,CO[C@]1(C)C[C@@H](NC(=O)CCn2cc(C)cn2)C1(C)C,77.32370000000004
+157920,Please optimize the molecule N#C[C@@H]1COCCN1CCc1ccccc1 to have a lower MR value.,N#C[C@@H]1COCCN1CCc1ccccc1,61.939000000000036
+228501,Please optimize the molecule Cc1ccccc1COc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 to have a higher MR value.,Cc1ccccc1COc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1,111.80340000000004
+141396,Please modify the molecule O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCc1ccc(Cl)cc1 to decrease its MR value.,O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCc1ccc(Cl)cc1,105.1641
+92500,Modify the molecule CN(C(=O)C[NH+](C)Cc1ccc(F)cc1F)C1CC1 to have a lower MR value.,CN(C(=O)C[NH+](C)Cc1ccc(F)cc1F)C1CC1,67.60770000000004
+198989,Please optimize the molecule CCOc1ccc(N2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 to have a higher MR value.,CCOc1ccc(N2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1,116.85940000000001
+135947,Optimize the molecule Cc1cc2nc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)sc2cc1C to have a higher MR value.,Cc1cc2nc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)sc2cc1C,110.19150000000005
+16668,Please modify the molecule CNc1ncc(C[NH+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 to increase its MR value.,CNc1ncc(C[NH+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1,109.68410000000007
+222343,Modify the molecule Cc1ccc(N(Cc2ccccc2)C(=O)[C@H](C)S(C)(=O)=O)cc1 to increase its MR value.,Cc1ccc(N(Cc2ccccc2)C(=O)[C@H](C)S(C)(=O)=O)cc1,93.11680000000004
+129973,Modify the molecule COc1cccc(C(=O)N2CCCc3cc(C)cc(F)c32)c1OC to decrease its MR value.,COc1cccc(C(=O)N2CCCc3cc(C)cc(F)c32)c1OC,90.68050000000004
+196573,Please optimize the molecule Cc1nn(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1N to have a lower MR value.,Cc1nn(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1N,75.67610000000003
+36518,Please modify the molecule O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(-c2ccc(F)cc2)s1 to decrease its MR value.,O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(-c2ccc(F)cc2)s1,130.1722
+81096,Please optimize the molecule Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccco1)C3 to have a higher MR value.,Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccco1)C3,97.2185
+49877,Optimize the molecule CN(CC(=O)N1CCOC[C@@H]1C1CC1)C(=O)c1cccs1 to have a higher MR value.,CN(CC(=O)N1CCOC[C@@H]1C1CC1)C(=O)c1cccs1,80.32350000000005
+134342,Modify the molecule CCOC(=O)c1nn(CC)c2c1CN(C(=O)C1=CC3=CC=N[C@@H]3C=C1)CC2 to have a higher MR value.,CCOC(=O)c1nn(CC)c2c1CN(C(=O)C1=CC3=CC=N[C@@H]3C=C1)CC2,100.56450000000004
+246420,Optimize the molecule CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccnn1C(C)C to have a higher MR value.,CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccnn1C(C)C,93.56040000000004
+143445,Optimize the molecule CCc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(C)=O to have a lower MR value.,CCc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(C)=O,90.78900000000006
+79835,Optimize the molecule CC[C@H](C)[C@@H]1CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[NH2+]1 to have a higher MR value.,CC[C@H](C)[C@@H]1CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[NH2+]1,85.61620000000006
+37541,Modify the molecule COc1cc(CC[NH2+][C@H](C)c2ccccc2N(C)C)ccc1O to have a higher MR value.,COc1cc(CC[NH2+][C@H](C)c2ccccc2N(C)C)ccc1O,94.33920000000006
+162952,Please modify the molecule CCCCN(C(=O)Nc1cc(CC)ccc1CC)[C@H]1CCS(=O)(=O)C1 to increase its MR value.,CCCCN(C(=O)Nc1cc(CC)ccc1CC)[C@H]1CCS(=O)(=O)C1,102.88950000000007
+170153,Please optimize the molecule COc1cc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)cc(OC)c1OC to have a higher MR value.,COc1cc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)cc(OC)c1OC,103.49570000000003
+166015,Please optimize the molecule CN(CC(=O)[O-])c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(Cl)cc2)n1 to have a higher MR value.,CN(CC(=O)[O-])c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(Cl)cc2)n1,108.90299999999999
+34883,Optimize the molecule C[C@@H](CCN1CCOCC1)NC(=O)[C@H]1CN(C)CCO1 to have a lower MR value.,C[C@@H](CCN1CCOCC1)NC(=O)[C@H]1CN(C)CCO1,76.71770000000005
+109122,Modify the molecule CCCC(=O)Nc1cccc(CNC(=O)C[NH+]2CCC(C)CC2)c1 to have a lower MR value.,CCCC(=O)Nc1cccc(CNC(=O)C[NH+]2CCC(C)CC2)c1,95.78810000000006
+123381,Modify the molecule CCO[C@H]1C[C@H]([O-])C12CCN(C(=O)c1c(C)nn(C)c1C)CC2 to decrease its MR value.,CCO[C@H]1C[C@H]([O-])C12CCN(C(=O)c1c(C)nn(C)c1C)CC2,84.07150000000004
+14595,Modify the molecule N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(C#N)c3)cc2)cc1 to have a lower MR value.,N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(C#N)c3)cc2)cc1,104.6884
+67678,Please optimize the molecule CC[S@](=O)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 to have a lower MR value.,CC[S@](=O)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1,82.72840000000005
+139073,Modify the molecule Cc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)c(O)c1 to increase its MR value.,Cc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)c(O)c1,89.87570000000002
+195141,Please optimize the molecule O=C(NCCNC(=O)[C@H]1C[NH2+]C[C@H](C(=O)N2CCCC2)C1)c1cccnc1 to have a lower MR value.,O=C(NCCNC(=O)[C@H]1C[NH2+]C[C@H](C(=O)N2CCCC2)C1)c1cccnc1,98.65030000000004
+194462,Optimize the molecule CNC(=O)c1cccc(CO/N=C(/N)[C@@H]2CCOC2)c1 to have a lower MR value.,CNC(=O)c1cccc(CO/N=C(/N)[C@@H]2CCOC2)c1,75.16960000000003
+40641,Modify the molecule O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1 to have a higher MR value.,O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1,109.05050000000001
+135124,Please modify the molecule COc1cccc(OC)c1OCCOc1ccc2ccccc2c1 to decrease its MR value.,COc1cccc(OC)c1OCCOc1ccc2ccccc2c1,94.48400000000005
+65262,Please modify the molecule CC(C)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 to decrease its MR value.,CC(C)NC(=O)Nc1cccc(C#Cc2ccccn2)c1,83.94940000000003
+162623,Please modify the molecule CS(=O)(=O)/N=C(\[O-])c1ccc(COc2ccc(F)cc2)o1 to decrease its MR value.,CS(=O)(=O)/N=C(\[O-])c1ccc(COc2ccc(F)cc2)o1,70.82080000000002
+896,Please modify the molecule O=C(C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccc1)C(F)(F)F to decrease its MR value.,O=C(C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccc1)C(F)(F)F,99.83070000000002
+9160,Modify the molecule Cc1ccc(-n2nc(N3CCCN(S(=O)(=O)c4ccccc4)CC3)ccc2=O)cc1C to have a lower MR value.,Cc1ccc(-n2nc(N3CCCN(S(=O)(=O)c4ccccc4)CC3)ccc2=O)cc1C,121.33880000000005
+23182,Modify the molecule CCCn1cc(-c2ccncc2)cc1C(=O)NCC[NH+]1CCCCCC1 to increase its MR value.,CCCn1cc(-c2ccncc2)cc1C(=O)NCC[NH+]1CCCCCC1,104.31890000000006
+104688,Please modify the molecule CCCN(C)c1ccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)cc1 to increase its MR value.,CCCN(C)c1ccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)cc1,98.77850000000005
+111078,Please optimize the molecule C=CC1CC[NH+](Cc2c(C)nc3sc(C)cn23)CC1 to have a lower MR value.,C=CC1CC[NH+](Cc2c(C)nc3sc(C)cn23)CC1,79.86470000000004
+37347,Please optimize the molecule CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1 to have a lower MR value.,CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1,103.73430000000003
+137798,Optimize the molecule O=C(Cn1ccccc1=O)N[C@@H](CO)c1ccccc1F to have a higher MR value.,O=C(Cn1ccccc1=O)N[C@@H](CO)c1ccccc1F,75.07150000000001
+23931,Optimize the molecule CCOC(=O)c1ccc(CN2CCO[C@H](C#N)C2)o1 to have a lower MR value.,CCOC(=O)c1ccc(CN2CCO[C@H](C#N)C2)o1,65.29450000000003
+21894,Optimize the molecule C[C@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H](C)O1 to have a lower MR value.,C[C@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H](C)O1,81.37400000000004
+245056,Modify the molecule CCOc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 to have a higher MR value.,CCOc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1,96.28820000000002
+108111,Please optimize the molecule OC1([C@@H]2CCO[C@]3(CCOC3)C2)CC[NH2+]CC1 to have a lower MR value.,OC1([C@@H]2CCO[C@]3(CCOC3)C2)CC[NH2+]CC1,62.68620000000005
+135677,Please modify the molecule CC(C)n1cc(C(C)(C)C)cc1C#N to decrease its MR value.,CC(C)n1cc(C(C)(C)C)cc1C#N,58.232000000000035
+161946,Modify the molecule Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 to have a lower MR value.,Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1,91.13240000000005
+66550,Modify the molecule Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCC2)c(C)c1 to have a higher MR value.,Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCC2)c(C)c1,96.73900000000003
+90550,Modify the molecule Cn1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cn1 to have a lower MR value.,Cn1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cn1,96.06100000000005
+124404,Modify the molecule CC[NH+](CC)[C@@H](CNC(=O)N1CCC[NH+](C(C)C)CC1)c1ccsc1 to have a lower MR value.,CC[NH+](CC)[C@@H](CNC(=O)N1CCC[NH+](C(C)C)CC1)c1ccsc1,104.52610000000007
+92899,Modify the molecule CCCC(=O)NC[C@@H]1CCC[NH+](Cc2cnc(-c3ccsc3)s2)C1 to increase its MR value.,CCCC(=O)NC[C@@H]1CCC[NH+](Cc2cnc(-c3ccsc3)s2)C1,100.46940000000005
+63328,Modify the molecule O=S(=O)(c1ccc(CNc2ncccc2F)s1)N1CCOCC1 to increase its MR value.,O=S(=O)(c1ccc(CNc2ncccc2F)s1)N1CCOCC1,85.41850000000004
+76138,Please optimize the molecule C=C(C)CN/C(N)=[NH+]/CCc1cccs1 to have a higher MR value.,C=C(C)CN/C(N)=[NH+]/CCc1cccs1,65.86380000000003
+111774,Optimize the molecule O=C(Nc1c(F)cccc1F)N1CCC2(CCc3ccccc3O2)CC1 to have a higher MR value.,O=C(Nc1c(F)cccc1F)N1CCC2(CCc3ccccc3O2)CC1,94.30570000000006
+187387,Modify the molecule Cc1ccc(C2(c3noc(C[NH+]4CCC(OCc5cccnc5)CC4)n3)CCCC2)cc1 to have a lower MR value.,Cc1ccc(C2(c3noc(C[NH+]4CCC(OCc5cccnc5)CC4)n3)CCCC2)cc1,121.17370000000005
+220587,Please modify the molecule CCCOc1ccc(CO)cc1-c1cnn(C)c1 to decrease its MR value.,CCCOc1ccc(CO)cc1-c1cnn(C)c1,70.35280000000004
+67513,Optimize the molecule N#C[C@@H](C(=O)C1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cn1 to have a higher MR value.,N#C[C@@H](C(=O)C1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cn1,91.74000000000004
+57658,Modify the molecule COc1ccc(F)c(NC(=O)c2ccnc3ccccc23)c1 to have a lower MR value.,COc1ccc(F)c(NC(=O)c2ccnc3ccccc23)c1,82.64820000000003
+155818,Please modify the molecule CC(=O)NC(=S)Nc1cc(Cl)ccc1C to increase its MR value.,CC(=O)NC(=S)Nc1cc(Cl)ccc1C,66.22640000000001
+98780,Modify the molecule CCc1onc(C)c1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] to have a higher MR value.,CCc1onc(C)c1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-],84.77160000000003
+243084,Modify the molecule Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)s1 to increase its MR value.,Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)s1,113.94450000000003
+236909,Modify the molecule CC[C@@H]1CCCC[C@@]1(O)[C@H](F)C(=O)[O-] to have a higher MR value.,CC[C@@H]1CCCC[C@@]1(O)[C@H](F)C(=O)[O-],47.10180000000003
+87744,Modify the molecule Cc1c(F)cccc1NC(=O)N(C)C1CCCCCC1 to decrease its MR value.,Cc1c(F)cccc1NC(=O)N(C)C1CCCCCC1,79.40870000000005
+145339,Please optimize the molecule COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(F)cc2[nH]cnc12 to have a lower MR value.,COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(F)cc2[nH]cnc12,91.87520000000002
+86015,Please modify the molecule CCc1ccsc1CNc1nc(OC)nc(OC)n1 to increase its MR value.,CCc1ccsc1CNc1nc(OC)nc(OC)n1,73.95470000000003
+228661,Please optimize the molecule C[C@@H](CNC(=O)NCc1ccc([S@](C)=O)cc1)Cc1cccs1 to have a higher MR value.,C[C@@H](CNC(=O)NCc1ccc([S@](C)=O)cc1)Cc1cccs1,96.19980000000005
+244047,Please modify the molecule CC(=O)C[C@H](C)[C@H]1CCO[C@]2(CCOC2)C1 to increase its MR value.,CC(=O)C[C@H](C)[C@H]1CCO[C@]2(CCOC2)C1,61.30500000000005
+45468,Modify the molecule CC(C)Cc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)[nH]n1 to have a higher MR value.,CC(C)Cc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)[nH]n1,94.98110000000004
+96943,Modify the molecule CN(CCOCC1CC1)c1nccnc1C[NH3+] to have a higher MR value.,CN(CCOCC1CC1)c1nccnc1C[NH3+],65.43710000000004
+224427,Modify the molecule C[NH+]1CCC[C@@H](CCc2ncnn2-c2cccc(C(F)(F)F)c2)C1 to have a lower MR value.,C[NH+]1CCC[C@@H](CCc2ncnn2-c2cccc(C(F)(F)F)c2)C1,84.02670000000003
+144277,Modify the molecule CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2COc3ccc(F)cc3C2)c1 to have a lower MR value.,CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2COc3ccc(F)cc3C2)c1,97.81840000000003
+75345,Modify the molecule CCOCCC(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 to decrease its MR value.,CCOCCC(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1,86.48870000000004
+13272,Optimize the molecule CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 to have a higher MR value.,CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1,91.28050000000005
+158717,Modify the molecule C[C@@H]([NH2+]Cc1cc(F)c([O-])c(F)c1)c1cccc(Cl)c1 to decrease its MR value.,C[C@@H]([NH2+]Cc1cc(F)c([O-])c(F)c1)c1cccc(Cl)c1,71.30040000000002
+106187,Please optimize the molecule CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1Cl to have a higher MR value.,CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1Cl,88.08470000000004
+229533,Modify the molecule C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1F to have a lower MR value.,C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1F,71.55940000000002
+96716,Please optimize the molecule O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc[nH]1 to have a higher MR value.,O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc[nH]1,80.53220000000002
+57504,Modify the molecule COc1ccc([C@H]2NN=C(c3c[nH]c4ccccc34)[C@@H]2O)cc1 to have a lower MR value.,COc1ccc([C@H]2NN=C(c3c[nH]c4ccccc34)[C@@H]2O)cc1,89.71320000000003
+241877,Modify the molecule CCS(=O)(=O)NCCS[C@@H](C)c1ccc(F)cc1 to have a lower MR value.,CCS(=O)(=O)NCCS[C@@H](C)c1ccc(F)cc1,74.73650000000004
+232903,Modify the molecule CCOc1ccc(NC(=O)C(=O)NCc2nnc3ccccn23)cc1F to have a lower MR value.,CCOc1ccc(NC(=O)C(=O)NCc2nnc3ccccn23)cc1F,91.03240000000002
+160644,Please modify the molecule COc1cc(NC(=O)NCCCn2c(C)nc3ccccc32)cc(OC)c1 to decrease its MR value.,COc1cc(NC(=O)NCCCn2c(C)nc3ccccc32)cc(OC)c1,105.65440000000002
+223396,Optimize the molecule CCNS(=O)(=O)[C@@H]1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)C1 to have a lower MR value.,CCNS(=O)(=O)[C@@H]1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)C1,87.72420000000004
+125064,Please modify the molecule CCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)cn23)n(C)c1=O to increase its MR value.,CCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)cn23)n(C)c1=O,101.41100000000006
+148888,Please modify the molecule C[C@H](CC#N)N(C)C(=O)c1cccc(-c2ccoc2)c1 to decrease its MR value.,C[C@H](CC#N)N(C)C(=O)c1cccc(-c2ccoc2)c1,75.92950000000003
+226091,Please optimize the molecule COc1cc(OC)c([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1OC to have a lower MR value.,COc1cc(OC)c([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1OC,125.12740000000002
+70980,Modify the molecule Cc1[nH+]c2ccccc2c(C)c1CC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 to have a higher MR value.,Cc1[nH+]c2ccccc2c(C)c1CC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1,123.10660000000003
+16012,Modify the molecule CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OC to increase its MR value.,CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OC,83.30040000000001
+15070,Please optimize the molecule CC[C@@H](C)n1ncc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1C1CC1 to have a higher MR value.,CC[C@@H](C)n1ncc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1C1CC1,87.32690000000002
+117119,Optimize the molecule CCC(=O)CCCc1nc2ccccc2n1C to have a lower MR value.,CCC(=O)CCCc1nc2ccccc2n1C,68.95000000000003
+225,Please optimize the molecule C[C@@H](NC(=O)N1CCCCCCC1)[C@@H]1CCCO1 to have a lower MR value.,C[C@@H](NC(=O)N1CCCCCCC1)[C@@H]1CCCO1,71.62570000000005
+231723,Optimize the molecule CCN(C(=O)c1ccc(-n2cnc3ccccc32)nc1)c1cccc(F)c1 to have a higher MR value.,CCN(C(=O)c1ccc(-n2cnc3ccccc32)nc1)c1cccc(F)c1,102.61550000000004
+42741,Modify the molecule CC[C@@H](C)NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 to have a lower MR value.,CC[C@@H](C)NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1,103.97490000000003
+10547,Modify the molecule CCCN1C(=O)C2(OCCCO2)c2ccc(Cl)c(Cl)c21 to have a lower MR value.,CCCN1C(=O)C2(OCCCO2)c2ccc(Cl)c(Cl)c21,77.30500000000004
+111098,Modify the molecule Cc1csc(NC(=O)CN2CCN(CCn3cc[nH+]c3-c3ccccc3)CC2)n1 to increase its MR value.,Cc1csc(NC(=O)CN2CCN(CCn3cc[nH+]c3-c3ccccc3)CC2)n1,114.78440000000002
+54182,Modify the molecule CC(C)Cn1c(C[C@H]2CCN(C(=O)C(C)(C)C)C2)nc2cccnc21 to increase its MR value.,CC(C)Cn1c(C[C@H]2CCN(C(=O)C(C)(C)C)C2)nc2cccnc21,100.21200000000007
+187649,Modify the molecule Cc1cc2c(cc1C)O[C@H](C(=O)NCc1nc3ccccc3s1)C2 to increase its MR value.,Cc1cc2c(cc1C)O[C@H](C(=O)NCc1nc3ccccc3s1)C2,95.50270000000005
+26642,Please optimize the molecule O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccc2O)CC1 to have a lower MR value.,O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccc2O)CC1,127.22530000000003
+124927,Modify the molecule O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cscn1 to have a higher MR value.,O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cscn1,87.11220000000003
+151695,Modify the molecule C[C@@H](NC[C@H]1C[NH+]2CCN1CC2)c1ccc2c(c1)OCCO2 to have a higher MR value.,C[C@@H](NC[C@H]1C[NH+]2CCN1CC2)c1ccc2c(c1)OCCO2,84.77440000000006
+211901,Please modify the molecule CC(=O)Nc1ccc(C(C)=O)cc1OCc1ccc(Br)cc1 to decrease its MR value.,CC(=O)Nc1ccc(C(C)=O)cc1OCc1ccc(Br)cc1,89.22420000000002
+121435,Please optimize the molecule Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C to have a higher MR value.,Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C,102.77450000000003
+34063,Please modify the molecule CC(C)c1nc(NC(=O)NC[C@H]2C[C@H]2c2ccccc2)n(C)n1 to decrease its MR value.,CC(C)c1nc(NC(=O)NC[C@H]2C[C@H]2c2ccccc2)n(C)n1,89.40340000000005
+96366,Please modify the molecule CC(=O)c1csc(NC(=O)COc2ccc(F)cc2Cl)n1 to increase its MR value.,CC(=O)c1csc(NC(=O)COc2ccc(F)cc2Cl)n1,77.65320000000001
+40125,Optimize the molecule Cn1cc[nH+]c1CN1CCC(c2nc(-c3ccccn3)no2)CC1 to have a higher MR value.,Cn1cc[nH+]c1CN1CCC(c2nc(-c3ccccn3)no2)CC1,86.74970000000003
+246915,Please optimize the molecule CONC(=O)c1oc2c(C)ccc(C)c2c1C to have a higher MR value.,CONC(=O)c1oc2c(C)ccc(C)c2c1C,64.90020000000003
+112465,Please modify the molecule Cc1ccccc1NC(=O)C[C@H]1C(=O)Nc2c(-c3ccc(Cl)cc3)c(C)nn21 to increase its MR value.,Cc1ccccc1NC(=O)C[C@H]1C(=O)Nc2c(-c3ccc(Cl)cc3)c(C)nn21,109.50240000000001
+129247,Modify the molecule Cc1ccc2c(c1)CCCN2C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 to have a lower MR value.,Cc1ccc2c(c1)CCCN2C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1,122.73450000000005
+153416,Optimize the molecule CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1F to have a lower MR value.,CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1F,122.02700000000002
+61383,Please modify the molecule CC[NH+]1CCC(CC[NH2+][C@H](C)c2nc3ccccc3n2C)CC1 to increase its MR value.,CC[NH+]1CCC(CC[NH2+][C@H](C)c2nc3ccccc3n2C)CC1,94.50010000000006
+165951,Optimize the molecule CN(C(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 to have a lower MR value.,CN(C(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1,74.01010000000004
+226967,Modify the molecule Cn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2sccc2c1=O to have a lower MR value.,Cn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2sccc2c1=O,104.61000000000004
+119689,Modify the molecule COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)c1OC to decrease its MR value.,COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)c1OC,106.15590000000005
+109169,Optimize the molecule C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cccc(F)c1 to have a higher MR value.,C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cccc(F)c1,75.79970000000003
+212674,Optimize the molecule O=C(N[C@@H](C(=O)N/N=C\c1cccc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1 to have a lower MR value.,O=C(N[C@@H](C(=O)N/N=C\c1cccc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1,138.69759999999988
+1594,Modify the molecule CCOc1c(OC)cc(C[NH+]2CCNC(=O)[C@@H]2CC)cc1OC to have a lower MR value.,CCOc1c(OC)cc(C[NH+]2CCNC(=O)[C@@H]2CC)cc1OC,87.33740000000006
+140383,Please modify the molecule CC(C)CC/C([O-])=N/S(=O)(=O)N(C)Cc1ccccc1 to increase its MR value.,CC(C)CC/C([O-])=N/S(=O)(=O)N(C)Cc1ccccc1,78.33580000000005
+72802,Optimize the molecule CC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 to have a lower MR value.,CC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2,78.37770000000003
+92112,Please optimize the molecule CC[C@H](CCO)CNC(=O)Cc1ccc(F)cc1F to have a higher MR value.,CC[C@H](CCO)CNC(=O)Cc1ccc(F)cc1F,68.55550000000002
+110206,Modify the molecule COc1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc(OC)c1OC to decrease its MR value.,COc1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc(OC)c1OC,82.63060000000003
+135329,Please modify the molecule O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cl)cn1 to decrease its MR value.,O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cl)cn1,85.49070000000002
+165764,Please optimize the molecule CNC(=O)CCNC(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 to have a higher MR value.,CNC(=O)CCNC(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1,62.98710000000003
+94530,Please modify the molecule CNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 to decrease its MR value.,CNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1,77.11010000000003
+67903,Modify the molecule O=C(NC[C@H]1C[C@@]12CCc1ccccc12)Nc1cn[nH]c1 to have a lower MR value.,O=C(NC[C@H]1C[C@@]12CCc1ccccc12)Nc1cn[nH]c1,80.15710000000003
+170137,Modify the molecule COc1ccccc1[C@H](N[C@H](C)c1scnc1C)c1ccccc1 to increase its MR value.,COc1ccccc1[C@H](N[C@H](C)c1scnc1C)c1ccccc1,99.68070000000003
+7530,Please optimize the molecule CC(C)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 to have a higher MR value.,CC(C)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1,74.92970000000004
+107582,Please optimize the molecule COc1ccc(C(N)=O)c(OCc2cc(C)cc(C)c2)c1 to have a higher MR value.,COc1ccc(C(N)=O)c(OCc2cc(C)cc(C)c2)c1,81.75990000000003
+182605,Modify the molecule C[C@]1(C(=O)N[C@H]2CCCCC[C@@H]2CO)CC1(Cl)Cl to have a lower MR value.,C[C@]1(C(=O)N[C@H]2CCCCC[C@@H]2CO)CC1(Cl)Cl,72.75250000000004
+149247,Modify the molecule COC(=O)N1CCC(CNC(=O)c2nc3ccccc3s2)CC1 to have a higher MR value.,COC(=O)N1CCC(CNC(=O)c2nc3ccccc3s2)CC1,88.65520000000005
+55718,Modify the molecule Cc1c(C(=O)N(C)C(C)C)oc2c(C)cccc12 to have a lower MR value.,Cc1c(C(=O)N(C)C(C)C)oc2c(C)cccc12,72.91750000000003
+113765,Optimize the molecule CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 to have a higher MR value.,CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1,93.16800000000003
+78617,Modify the molecule C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+](C)Cc1nc2ccccc2s1 to decrease its MR value.,C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+](C)Cc1nc2ccccc2s1,101.37640000000003
+150086,Optimize the molecule CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N(C)Cc1ccc(Cl)cc1 to have a higher MR value.,CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N(C)Cc1ccc(Cl)cc1,90.18050000000005
+129997,Please optimize the molecule CCOc1ccc(-c2cc(CO)[nH]n2)cc1 to have a lower MR value.,CCOc1ccc(-c2cc(CO)[nH]n2)cc1,61.115500000000026
+19778,Modify the molecule CC[C@H](c1ccccc1)c1nnc(NC(=O)N(C[C@@H](C)O)C(C)C)s1 to have a higher MR value.,CC[C@H](c1ccccc1)c1nnc(NC(=O)N(C[C@@H](C)O)C(C)C)s1,101.02650000000006
+10693,Modify the molecule COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(OC)c1OC(C)C to have a higher MR value.,COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(OC)c1OC(C)C,126.50640000000003
+105348,Modify the molecule CCNC(=O)[C@H](C)NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 to have a higher MR value.,CCNC(=O)[C@H](C)NC(=O)CCc1ncc(-c2ccc(C)cc2)o1,91.28540000000004
+208916,Modify the molecule C[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)nc1 to decrease its MR value.,C[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)nc1,79.01120000000003
+533,Optimize the molecule COc1cccnc1N(C)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 to have a higher MR value.,COc1cccnc1N(C)C(=O)C[C@H](C)Cc1ccc(Cl)cc1,93.13600000000004
+56184,Please modify the molecule COc1ccc([C@H](C)NC(=O)c2cccc(I)c2)cc1OC to decrease its MR value.,COc1ccc([C@H](C)NC(=O)c2cccc(I)c2)cc1OC,94.58620000000002
+187190,Please modify the molecule C[C@H]1CCC(=O)[C@H](C[NH+]2CCC(C)(C)C2)C1 to increase its MR value.,C[C@H]1CCC(=O)[C@H](C[NH+]2CCC(C)(C)C2)C1,65.47370000000005
+20109,Modify the molecule C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc(N3CCCCC3=O)cc2)C1 to decrease its MR value.,C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc(N3CCCCC3=O)cc2)C1,108.15290000000006
+87060,Modify the molecule CC/N=C1\S/C(=C/c2ccc(C)o2)C(=O)N1CC to increase its MR value.,CC/N=C1\S/C(=C/c2ccc(C)o2)C(=O)N1CC,74.37600000000003
+110006,Please modify the molecule N#Cc1ccc(-n2cncn2)cc1N to increase its MR value.,N#Cc1ccc(-n2cncn2)cc1N,50.4864
+224097,Modify the molecule CCN(Cc1ccccc1)C(=O)c1cccc2nscc12 to have a lower MR value.,CCN(Cc1ccccc1)C(=O)c1cccc2nscc12,86.47650000000004
+154729,Modify the molecule CCc1ccc(C(=O)N[C@H](C)C(C)=O)o1 to increase its MR value.,CCc1ccc(C(=O)N[C@H](C)C(C)=O)o1,55.69520000000003
+165448,Please optimize the molecule O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(Br)cc1 to have a lower MR value.,O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(Br)cc1,84.3822
+203483,Optimize the molecule C[C@H](CCO)Sc1nc2ccccc2cc1C[NH3+] to have a lower MR value.,C[C@H](CCO)Sc1nc2ccccc2cc1C[NH3+],75.35690000000004
+16552,Optimize the molecule C[C@@H]1CN(C(=O)c2sc3cccc(F)c3c2N)CCN1C to have a lower MR value.,C[C@@H]1CN(C(=O)c2sc3cccc(F)c3c2N)CCN1C,84.19090000000003
+213652,Please modify the molecule C[C@H]1CCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c2ccccc2S1 to decrease its MR value.,C[C@H]1CCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c2ccccc2S1,109.2
+46031,Please optimize the molecule O=c1c(CN2C[C@@H]3CCC[NH+]3C[C@@H]2CCO)coc2ccc(Cl)cc12 to have a higher MR value.,O=c1c(CN2C[C@@H]3CCC[NH+]3C[C@@H]2CCO)coc2ccc(Cl)cc12,97.11350000000004
+107069,Modify the molecule C[C@@H](C(=O)Nc1ccn(-c2ncccc2Cl)n1)c1cccc(F)c1 to increase its MR value.,C[C@@H](C(=O)Nc1ccn(-c2ncccc2Cl)n1)c1cccc(F)c1,89.81370000000003
+144063,Modify the molecule COc1ccc(N2CCC(NC(=O)N(C)Cc3ccccc3)CC2)cc1 to have a higher MR value.,COc1ccc(N2CCC(NC(=O)N(C)Cc3ccccc3)CC2)cc1,104.66970000000005
+249190,Optimize the molecule Cc1cn2c(CN3[C@@H](C)COC[C@H]3C)c(C)nc2s1 to have a higher MR value.,Cc1cn2c(CN3[C@@H](C)COC[C@H]3C)c(C)nc2s1,77.82900000000005
+66940,Optimize the molecule CCC(C)(CC)[NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 to have a lower MR value.,CCC(C)(CC)[NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1,83.32240000000004
+225936,Please optimize the molecule CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC[NH+](CC)CC)cc1 to have a higher MR value.,CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC[NH+](CC)CC)cc1,122.83220000000006
+65337,Optimize the molecule O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 to have a lower MR value.,O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1,93.39910000000003
+84700,Modify the molecule CC(C)COc1ncc(CNC(=O)NNc2cncc(Cl)n2)cc1Cl to decrease its MR value.,CC(C)COc1ncc(CNC(=O)NNc2cncc(Cl)n2)cc1Cl,95.61610000000003
+198008,Optimize the molecule CC(=O)c1cccc(OCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 to have a higher MR value.,CC(=O)c1cccc(OCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1,100.77550000000005
+17226,Please optimize the molecule Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 to have a higher MR value.,Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1,104.29450000000003
+54289,Optimize the molecule CN(C)C(=O)[C@@H]1CN(Cc2cccc(Oc3ccccc3)c2)CCN1 to have a lower MR value.,CN(C)C(=O)[C@@H]1CN(Cc2cccc(Oc3ccccc3)c2)CCN1,98.71970000000006
+79348,Please optimize the molecule C/C=C/[C@@H]1C[C@@H](N(CCC)C(=O)Nc2cc(OC)cc(OC)c2)C[C@H]2c3ccccc3C(=O)N12 to have a higher MR value.,C/C=C/[C@@H]1C[C@@H](N(CCC)C(=O)Nc2cc(OC)cc(OC)c2)C[C@H]2c3ccccc3C(=O)N12,132.5382
+139083,Please optimize the molecule O=C(C[C@H](O)c1ccccc1)NCc1cc[nH+]c(N2CCCC2)c1 to have a lower MR value.,O=C(C[C@H](O)c1ccccc1)NCc1cc[nH+]c(N2CCCC2)c1,92.31020000000005
+60717,Please optimize the molecule O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1Cl to have a lower MR value.,O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1Cl,89.31890000000001
+101313,Optimize the molecule CCCCN(C[C@@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)c1ccc(Cl)cc1 to have a higher MR value.,CCCCN(C[C@@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)c1ccc(Cl)cc1,105.72020000000002
+177006,Modify the molecule COCc1cccc(NC(=O)NCc2cc(Br)ccc2F)c1 to have a lower MR value.,COCc1cccc(NC(=O)NCc2cc(Br)ccc2F)c1,87.11340000000004
+48152,Please modify the molecule C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1 to decrease its MR value.,C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1,101.81070000000004
+37952,Optimize the molecule O=C(NC1CC[NH+](CC(F)(F)F)CC1)c1cc2c(s1)-c1ccccc1CC2 to have a lower MR value.,O=C(NC1CC[NH+](CC(F)(F)F)CC1)c1cc2c(s1)-c1ccccc1CC2,99.26990000000004
+75932,Modify the molecule Cc1nc(O)c(C(=O)[O-])c(C)c1Br to have a higher MR value.,Cc1nc(O)c(C(=O)[O-])c(C)c1Br,47.406300000000016
+248921,Optimize the molecule C[NH+]1CCN(c2ccc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)CC1 to have a lower MR value.,C[NH+]1CCN(c2ccc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)CC1,110.59640000000005
+143360,Optimize the molecule Cc1cc(=O)oc(C)c1C(=O)N1CCCC[C@H]1C to have a higher MR value.,Cc1cc(=O)oc(C)c1C(=O)N1CCCC[C@H]1C,68.80150000000003
+144895,Modify the molecule CCN(C[C@@H]1CCOC1)C(=O)c1nnn(-c2ccccc2Cl)c1C to decrease its MR value.,CCN(C[C@@H]1CCOC1)C(=O)c1nnn(-c2ccccc2Cl)c1C,91.60950000000004
+99681,Optimize the molecule Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@@H]1C[NH+](C)CCN1C)C2 to have a lower MR value.,Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@@H]1C[NH+](C)CCN1C)C2,90.08440000000004
+125467,Modify the molecule O=C(/C=C/c1ccncc1)NC1(c2ccc(F)cc2)CCCC1 to have a higher MR value.,O=C(/C=C/c1ccncc1)NC1(c2ccc(F)cc2)CCCC1,87.95970000000005
+125985,Modify the molecule Cc1ccc2nc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)oc2c1 to increase its MR value.,Cc1ccc2nc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)oc2c1,104.66300000000003
+155847,Modify the molecule CN(Cc1nccn1C(F)F)C(=O)NCC(C1CC1)C1CC1 to increase its MR value.,CN(Cc1nccn1C(F)F)C(=O)NCC(C1CC1)C1CC1,77.28370000000004
+236790,Modify the molecule COc1ccc(/C=C2\SC(=S)N=C2[O-])c(C(=O)[O-])c1OC to increase its MR value.,COc1ccc(/C=C2\SC(=S)N=C2[O-])c(C(=O)[O-])c1OC,79.4775
+109787,Modify the molecule COCC[C@@H](C)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 to increase its MR value.,COCC[C@@H](C)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1,83.28770000000004
+162931,Optimize the molecule OCc1cccc(Nc2ccc3nnnn3n2)c1 to have a higher MR value.,OCc1cccc(Nc2ccc3nnnn3n2)c1,64.2245
+111619,Modify the molecule CS[C@H](C)CNC(=O)CCCn1ccnn1 to increase its MR value.,CS[C@H](C)CNC(=O)CCCn1ccnn1,65.24270000000003
+211938,Please optimize the molecule CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2OC)cc1F to have a lower MR value.,CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2OC)cc1F,93.47780000000003
+30022,Please optimize the molecule CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccc(C)cc3)ccc21 to have a lower MR value.,CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccc(C)cc3)ccc21,122.37550000000003
+82997,Please modify the molecule O=C(c1nc2ccccc2o1)N1CCC(c2nc3ccccc3s2)CC1 to increase its MR value.,O=C(c1nc2ccccc2o1)N1CCC(c2nc3ccccc3s2)CC1,101.50750000000005
+10717,Please modify the molecule COc1ccccc1NC(=O)c1sc2ncn(C[C@@H](O)CO)c(=O)c2c1C to decrease its MR value.,COc1ccccc1NC(=O)c1sc2ncn(C[C@@H](O)CO)c(=O)c2c1C,102.65680000000003
+233422,Please optimize the molecule COc1cc(C[NH+]2CCC[C@@H]2c2cccc(C)n2)cc(OC)c1OC to have a higher MR value.,COc1cc(C[NH+]2CCC[C@@H]2c2cccc(C)n2)cc(OC)c1OC,96.58070000000006
+51779,Please optimize the molecule Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c(Br)c1 to have a lower MR value.,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c(Br)c1,98.73170000000003
+17787,Please optimize the molecule Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3F)CC2=O)cc1F to have a higher MR value.,Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3F)CC2=O)cc1F,89.84370000000004
+83783,Please modify the molecule O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 to increase its MR value.,O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1,103.50180000000006
+113497,Please modify the molecule Cc1cc(F)ccc1CCNC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C to decrease its MR value.,Cc1cc(F)ccc1CCNC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C,93.54440000000005
+101735,Please optimize the molecule Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[NH+](Cc3ccccc3F)C2)n1C to have a lower MR value.,Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[NH+](Cc3ccccc3F)C2)n1C,98.60540000000005
+42246,Please optimize the molecule C=CCOc1cccc(NC(=O)NC2(c3noc(C)n3)CCCCCC2)c1 to have a lower MR value.,C=CCOc1cccc(NC(=O)NC2(c3noc(C)n3)CCCCCC2)c1,102.70340000000004
+172243,Please modify the molecule C[C@H]1CN(C(=S)NC[C@H]2CCCO2)C[C@@H](C)O1 to decrease its MR value.,C[C@H]1CN(C(=S)NC[C@H]2CCCO2)C[C@@H](C)O1,71.15670000000004
+168780,Please modify the molecule COc1ccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)cc1 to decrease its MR value.,COc1ccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)cc1,108.53450000000002
+50764,Please optimize the molecule Cc1ccsc1C[NH+]1CCC[C@@H](C(=O)N(C)C)C1 to have a higher MR value.,Cc1ccsc1C[NH+]1CCC[C@@H](C(=O)N(C)C)C1,74.87470000000005
+112309,Modify the molecule CC[NH2+][C@@H]([C@@H]1CCc2cccnc21)[C@@H]1COCCO1 to have a lower MR value.,CC[NH2+][C@@H]([C@@H]1CCc2cccnc21)[C@@H]1COCCO1,72.11240000000005
+93682,Optimize the molecule COc1ncnc2c1nc([S-])n2C[C@H]1CC[NH+](C(C)C)C1 to have a lower MR value.,COc1ncnc2c1nc([S-])n2C[C@H]1CC[NH+](C(C)C)C1,81.44570000000004
+29413,Modify the molecule C[C@@H](c1cccnc1)N(C)Cc1ccc(Cl)nc1 to decrease its MR value.,C[C@@H](c1cccnc1)N(C)Cc1ccc(Cl)nc1,73.36600000000003
+212749,Modify the molecule CCC[C@@H](NC(=O)c1cccc2c3c([nH]c12)CCCC3)C(=O)OC to increase its MR value.,CCC[C@@H](NC(=O)c1cccc2c3c([nH]c12)CCCC3)C(=O)OC,93.11890000000005
+202486,Please modify the molecule CN(Cc1ccccc1O)C(=O)NCC1CC1 to increase its MR value.,CN(Cc1ccccc1O)C(=O)NCC1CC1,65.69650000000004
+60920,Modify the molecule Cc1cc(Nc2ncccc2C)nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)n1 to have a higher MR value.,Cc1cc(Nc2ncccc2C)nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)n1,111.12370000000006
+211224,Modify the molecule c1ccc(OCc2nnc(SCc3cccnc3)o2)cc1 to have a lower MR value.,c1ccc(OCc2nnc(SCc3cccnc3)o2)cc1,78.87000000000003
+163255,Optimize the molecule CCc1nc(Cn2cnc3cc(F)c(F)cc32)cs1 to have a lower MR value.,CCc1nc(Cn2cnc3cc(F)c(F)cc32)cs1,70.24300000000001
+153365,Modify the molecule CC(C)c1nc(CC(=O)N2CCC[C@@H](O)C2)cs1 to decrease its MR value.,CC(C)c1nc(CC(=O)N2CCC[C@@H](O)C2)cs1,71.72780000000003
+244907,Please optimize the molecule C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1CCN1CCOCC1 to have a lower MR value.,C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1CCN1CCOCC1,120.46720000000006
+201901,Modify the molecule O=C([C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN(Cc2ccccc2)CC1 to have a lower MR value.,O=C([C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN(Cc2ccccc2)CC1,108.36950000000003
+2378,Modify the molecule CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc21 to have a lower MR value.,CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc21,102.98690000000002
+113656,Optimize the molecule CN(C)C(=O)C[NH+]1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(C)(=O)=O)c2)CC1 to have a higher MR value.,CN(C)C(=O)C[NH+]1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(C)(=O)=O)c2)CC1,118.94210000000005
+42595,Please modify the molecule Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 to increase its MR value.,Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1,105.59700000000002
+173658,Modify the molecule O=C(CC[C@H]1CCCO1)Nc1cccnc1 to have a higher MR value.,O=C(CC[C@H]1CCCO1)Nc1cccnc1,61.074700000000036
+115319,Please modify the molecule CCc1ccc(C(=O)N(C)CC2CC([NH3+])C2)o1 to increase its MR value.,CCc1ccc(C(=O)N(C)CC2CC([NH3+])C2)o1,64.44660000000003
+90163,Please optimize the molecule COC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1 to have a higher MR value.,COC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1,94.75200000000002
+206468,Modify the molecule CC(C)[C@@](C)(C#N)NC(=O)CN1CCCSc2ccccc21 to increase its MR value.,CC(C)[C@@](C)(C#N)NC(=O)CN1CCCSc2ccccc21,90.99470000000005
+39572,Optimize the molecule COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 to have a lower MR value.,COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1,122.42670000000001
+108048,Please optimize the molecule CCCOc1ccc(NC(=O)N[C@H](C)CO)cc1Cl to have a higher MR value.,CCCOc1ccc(NC(=O)N[C@H](C)CO)cc1Cl,75.94020000000003
+47144,Optimize the molecule N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 to have a higher MR value.,N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1,91.84450000000001
+14905,Please optimize the molecule COC[C@H](C)NC(=O)NCCNC(=O)c1ccc(Br)cc1 to have a higher MR value.,COC[C@H](C)NC(=O)NCCNC(=O)c1ccc(Br)cc1,84.34760000000003
+204256,Please modify the molecule CCOC(=O)c1c(NC(=O)[C@H](Br)CC)sc2c1CCCCC2 to decrease its MR value.,CCOC(=O)c1c(NC(=O)[C@H](Br)CC)sc2c1CCCCC2,93.17020000000004
+3308,Optimize the molecule CCOc1cc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)ccc1OC to have a lower MR value.,CCOc1cc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)ccc1OC,76.71580000000003
+91510,Modify the molecule Cc1ccc(N2CC[C@@H](C(=O)NCC[C@H](O)c3ccccc3)C2=O)cc1C to increase its MR value.,Cc1ccc(N2CC[C@@H](C(=O)NCC[C@H](O)c3ccccc3)C2=O)cc1C,105.40450000000006
+73218,Please optimize the molecule CCOC(=O)CCc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)cc1 to have a lower MR value.,CCOC(=O)CCc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)cc1,92.75870000000006
+47197,Please modify the molecule COc1ccc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1O to decrease its MR value.,COc1ccc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1O,96.86650000000003
+246898,Please modify the molecule CN(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 to decrease its MR value.,CN(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1,80.83860000000003
+7528,Optimize the molecule CC[C@@H](O)c1ccn(Cc2ccc(I)cc2)c1 to have a lower MR value.,CC[C@@H](O)c1ccn(Cc2ccc(I)cc2)c1,77.94380000000002
+147703,Please modify the molecule C[C@H](S[C@H](C)C(=O)Nc1ccccc1F)c1ccccc1 to decrease its MR value.,C[C@H](S[C@H](C)C(=O)Nc1ccccc1F)c1ccccc1,86.93970000000003
+164867,Please optimize the molecule C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccncn1 to have a lower MR value.,C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccncn1,76.38020000000004
+10862,Modify the molecule CN1CC[NH+](C)C[C@H]1[C@H](O)Cc1ccncc1 to have a higher MR value.,CN1CC[NH+](C)C[C@H]1[C@H](O)Cc1ccncc1,66.98650000000005
+16338,Please modify the molecule O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1ccc(F)cc1)Cc1ccco1 to increase its MR value.,O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1ccc(F)cc1)Cc1ccco1,114.70530000000002
+103450,Optimize the molecule O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 to have a lower MR value.,O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1,96.95640000000004
+198837,Modify the molecule Cc1[nH+]cn(C[C@@H](C)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c1C to decrease its MR value.,Cc1[nH+]cn(C[C@@H](C)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c1C,112.05840000000006
+116787,Please optimize the molecule C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1nc2ccccc2n1C to have a higher MR value.,C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1nc2ccccc2n1C,106.51940000000003
+69352,Please optimize the molecule Nc1ncnc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] to have a lower MR value.,Nc1ncnc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-],71.00320000000002
+190257,Modify the molecule CCOC(=O)[C@H](Cc1ccccc1)c1ncnn1CC to increase its MR value.,CCOC(=O)[C@H](Cc1ccccc1)c1ncnn1CC,75.21600000000004
+209624,Modify the molecule C[C@H]1CN(C(=O)c2cccc(Nc3cnn(C)c3)c2)c2ccccc2O1 to have a lower MR value.,C[C@H]1CN(C(=O)c2cccc(Nc3cnn(C)c3)c2)c2ccccc2O1,101.14120000000003
+150272,Please modify the molecule CN(C)c1ccc(/C(N)=N/OCc2ccccc2F)cc1 to increase its MR value.,CN(C)c1ccc(/C(N)=N/OCc2ccccc2F)cc1,82.68240000000003
+235195,Modify the molecule CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)Cc1c[nH]c3ccccc13)c1ccccc1O2 to have a higher MR value.,CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)Cc1c[nH]c3ccccc13)c1ccccc1O2,123.40940000000003
+234846,Please optimize the molecule O=C(Nc1ccc(Nc2ccccc2)cc1)C1C[C@@H]2CCC[C@H](C1)C2=O to have a lower MR value.,O=C(Nc1ccc(Nc2ccccc2)cc1)C1C[C@@H]2CCC[C@H](C1)C2=O,103.35840000000006
+117501,Modify the molecule CC(C)NC(=O)CN(C)C(=O)c1cc2c(C(C)C)nn(C)c2s1 to have a higher MR value.,CC(C)NC(=O)CN(C)C(=O)c1cc2c(C(C)C)nn(C)c2s1,92.91920000000005
+57430,Please optimize the molecule O=C(NC[C@@H](CCO)c1ccccc1)c1cnn(-c2ccccc2)n1 to have a lower MR value.,O=C(NC[C@@H](CCO)c1ccccc1)c1cnn(-c2ccccc2)n1,94.57800000000002
+58132,Modify the molecule Cc1cc2c(N3CC[C@H](NS(C)(=O)=O)C3)ncnc2s1 to decrease its MR value.,Cc1cc2c(N3CC[C@H](NS(C)(=O)=O)C3)ncnc2s1,80.74950000000004
+24303,Please optimize the molecule Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)c2cccc(Cl)c2)C3)n1 to have a lower MR value.,Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)c2cccc(Cl)c2)C3)n1,108.80520000000001
+242365,Please optimize the molecule Cc1cccc(-c2nnc([S-])n2CCC(=O)NCC(C)(C)C(N)=O)c1 to have a lower MR value.,Cc1cccc(-c2nnc([S-])n2CCC(=O)NCC(C)(C)C(N)=O)c1,96.42810000000003
+159587,Modify the molecule COc1cc(C)c(S(=O)(=O)[C@H](C)c2nc(C3CC3)no2)cc1OC to decrease its MR value.,COc1cc(C)c(S(=O)(=O)[C@H](C)c2nc(C3CC3)no2)cc1OC,86.15680000000005
+135333,Modify the molecule Cc1cncc(NC(=O)C(=O)NC2C[C@@H]3CCC[C@H](C2)[NH+]3C)c1 to increase its MR value.,Cc1cncc(NC(=O)C(=O)NC2C[C@@H]3CCC[C@H](C2)[NH+]3C)c1,87.08210000000004
+97647,Optimize the molecule CCn1c(CCNC(=O)c2cccc(N(C)C)c2)n[nH]c1=S to have a higher MR value.,CCn1c(CCNC(=O)c2cccc(N(C)C)c2)n[nH]c1=S,89.89190000000004
+108716,Modify the molecule [O-]c1c[n+]([O-])ccc1[C@H]1c2ccc(Cl)cc2CCc2cccnc21 to increase its MR value.,[O-]c1c[n+]([O-])ccc1[C@H]1c2ccc(Cl)cc2CCc2cccnc21,88.89000000000003
+158062,Modify the molecule Cc1cc(Cn2c([C@@H](C)Cl)nc3cc(Cl)c(Cl)cc32)no1 to decrease its MR value.,Cc1cc(Cn2c([C@@H](C)Cl)nc3cc(Cl)c(Cl)cc32)no1,84.36300000000003
+156635,Please modify the molecule CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 to increase its MR value.,CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1,99.67710000000001
+32886,Modify the molecule COc1ccc2ccccc2c1[C@H]1NC(=O)c2c(sc3c2CC[NH+](C)C3)N1 to have a lower MR value.,COc1ccc2ccccc2c1[C@H]1NC(=O)c2c(sc3c2CC[NH+](C)C3)N1,107.81060000000004
+72593,Optimize the molecule C=CCN(C(=O)[C@@H]([NH3+])c1c(C)n[nH]c1C)C1CCCC1 to have a higher MR value.,C=CCN(C(=O)[C@@H]([NH3+])c1c(C)n[nH]c1C)C1CCCC1,77.85680000000004
+240670,Optimize the molecule COc1ccccc1C[C@@H](C)[C@H](O)C(C)C to have a lower MR value.,COc1ccccc1C[C@@H](C)[C@H](O)C(C)C,66.70680000000004
+110378,Please modify the molecule C[C@@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccc(S(C)(=O)=O)cc1 to decrease its MR value.,C[C@@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccc(S(C)(=O)=O)cc1,91.95800000000006
+203374,Please optimize the molecule CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C to have a lower MR value.,CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C,117.02150000000007
+155021,Modify the molecule O=[N+]([O-])c1ccccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 to have a lower MR value.,O=[N+]([O-])c1ccccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1,107.04740000000001
+21946,Modify the molecule CC(C)CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 to increase its MR value.,CC(C)CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1,85.50480000000005
+184251,Modify the molecule Cc1cccc(N(CCC(N)=O)C(=O)Cc2ccc[nH]2)c1 to decrease its MR value.,Cc1cccc(N(CCC(N)=O)C(=O)Cc2ccc[nH]2)c1,81.84010000000002
+3351,Please modify the molecule Cc1nn2c(C)c(C(=O)/C=C/c3ccccc3)nnc2c1-c1ccccc1 to increase its MR value.,Cc1nn2c(C)c(C(=O)/C=C/c3ccccc3)nnc2c1-c1ccccc1,105.4985
+171525,Modify the molecule COc1ccc2oc(C)c(C(=O)Nc3c(C)cccc3C)c2c1 to have a lower MR value.,COc1ccc2oc(C)c(C(=O)Nc3c(C)cccc3C)c2c1,91.37220000000003
+149518,Modify the molecule O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 to have a higher MR value.,O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1,112.34070000000003
+74135,Modify the molecule C[C@H](O)CCC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 to have a higher MR value.,C[C@H](O)CCC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1,77.12060000000004
+81144,Optimize the molecule CC(C)COCCNC(=O)c1cc(F)c(Cl)cc1Cl to have a lower MR value.,CC(C)COCCNC(=O)c1cc(F)c(Cl)cc1Cl,74.41020000000003
+177970,Modify the molecule O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cccc([N+](=O)[O-])c1 to increase its MR value.,O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cccc([N+](=O)[O-])c1,100.62460000000003
+27281,Modify the molecule N#C[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 to decrease its MR value.,N#C[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1,74.22500000000002
+113011,Please modify the molecule CCOc1ccc2nc(SCc3ncoc3C(C)C)[nH]c2c1 to increase its MR value.,CCOc1ccc2nc(SCc3ncoc3C(C)C)[nH]c2c1,87.41570000000003
+614,Modify the molecule CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[C@H](C)C1 to have a higher MR value.,CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[C@H](C)C1,84.00040000000006
+118336,Modify the molecule Fc1ccc([C@H](CC(F)(F)F)NCc2ccc3c(c2)OCCO3)cc1 to decrease its MR value.,Fc1ccc([C@H](CC(F)(F)F)NCc2ccc3c(c2)OCCO3)cc1,84.08470000000004
+135863,Modify the molecule CC[C@@H](C)C(=O)Nc1c(C)cccc1C to have a lower MR value.,CC[C@@H](C)C(=O)Nc1c(C)cccc1C,64.00070000000004
+54631,Modify the molecule O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc2c(c1)CCC(=O)N2 to decrease its MR value.,O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc2c(c1)CCC(=O)N2,87.96210000000002
+106687,Modify the molecule CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)c1 to decrease its MR value.,CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)c1,86.62550000000005
+198701,Optimize the molecule CCOC(=O)c1cc2ccc3ccccc3c2s1 to have a higher MR value.,CCOC(=O)c1cc2ccc3ccccc3c2s1,75.28750000000004
+150318,Please modify the molecule C#CCN1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 to decrease its MR value.,C#CCN1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1,88.09870000000004
+41058,Modify the molecule COc1ccc2c(CSC3=N[C@@H]4CCCC[C@@H]4N3)cc(=O)oc2c1 to have a higher MR value.,COc1ccc2c(CSC3=N[C@@H]4CCCC[C@@H]4N3)cc(=O)oc2c1,96.94570000000003
+136795,Please modify the molecule Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1Cl to decrease its MR value.,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1Cl,72.44480000000003
+87697,Modify the molecule CN1CCCc2cc([C@@H](CNC(=O)COc3ccccc3)N3CCOCC3)ccc21 to have a lower MR value.,CN1CCCc2cc([C@@H](CNC(=O)COc3ccccc3)N3CCOCC3)ccc21,118.11270000000006
+63498,Please modify the molecule C[C@@H]1CCCN(C(=O)c2csc(C#CCCO)c2)C1 to increase its MR value.,C[C@@H]1CCCN(C(=O)c2csc(C#CCCO)c2)C1,77.20130000000003
+271,Please modify the molecule CN(Cc1ccno1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12 to decrease its MR value.,CN(Cc1ccno1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12,120.33920000000005
+90176,Please optimize the molecule c1cc(CN(C2=[NH+]CCCS2)C2CC2)ccn1 to have a higher MR value.,c1cc(CN(C2=[NH+]CCCS2)C2CC2)ccn1,70.71370000000003
+126029,Modify the molecule Cc1nc(Br)ccc1NC(=O)N1C[C@H]2CCCC[C@H]2C1 to increase its MR value.,Cc1nc(Br)ccc1NC(=O)N1C[C@H]2CCCC[C@H]2C1,82.71370000000005
+200777,Modify the molecule COCC(=O)Nc1nc(-c2ccc(OC)c(Cl)c2)cs1 to have a lower MR value.,COCC(=O)Nc1nc(-c2ccc(OC)c(Cl)c2)cs1,79.61770000000003
+189790,Optimize the molecule C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CCO1 to have a lower MR value.,C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CCO1,74.06560000000002
+117909,Please optimize the molecule O=C(Nc1cccnc1N1CCSCC1)[C@H]1C[C@H]1[N+](=O)[O-] to have a lower MR value.,O=C(Nc1cccnc1N1CCSCC1)[C@H]1C[C@H]1[N+](=O)[O-],81.29410000000003
+235165,Please modify the molecule Cc1cccc(OCCNC(=O)c2n[nH]c(C3CC3)n2)c1 to increase its MR value.,Cc1cccc(OCCNC(=O)c2n[nH]c(C3CC3)n2)c1,77.36490000000002
+27452,Optimize the molecule Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1F to have a higher MR value.,Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1F,73.39750000000002
+178662,Please modify the molecule Cc1ccc(C)c(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 to decrease its MR value.,Cc1ccc(C)c(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1,100.87750000000003
+169631,Optimize the molecule CCc1nn(-c2ccncn2)c(Cl)c1C(=O)[O-] to have a higher MR value.,CCc1nn(-c2ccncn2)c(Cl)c1C(=O)[O-],57.87250000000002
+121234,Please optimize the molecule Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)no2)cc1C to have a higher MR value.,Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)no2)cc1C,112.09600000000002
+124670,Please modify the molecule CCNC(=O)N1CC[C@H]2CC(=O)N([C@H](C(N)=O)C(C)C)CC[C@H]2C1 to decrease its MR value.,CCNC(=O)N1CC[C@H]2CC(=O)N([C@H](C(N)=O)C(C)C)CC[C@H]2C1,91.01010000000005
+40378,Please optimize the molecule CN(C)c1ccc(N)c(OCc2cccc(C#N)c2)c1 to have a lower MR value.,CN(C)c1ccc(N)c(OCc2cccc(C#N)c2)c1,80.67040000000003
+53810,Please optimize the molecule COc1cc(F)ccc1N1CCN(C(=O)c2ccccc2C(C)=O)CC1 to have a lower MR value.,COc1cc(F)ccc1N1CCN(C(=O)c2ccccc2C(C)=O)CC1,97.51500000000006
+90953,Modify the molecule CC(C)(C)C(=O)N1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 to decrease its MR value.,CC(C)(C)C(=O)N1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1,104.32650000000005
+74525,Modify the molecule CSc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1 to decrease its MR value.,CSc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1,86.77810000000001
+159478,Modify the molecule Cc1nc(CN2CCC[NH+]3CCCC[C@@H]3C2)cs1 to have a higher MR value.,Cc1nc(CN2CCC[NH+]3CCCC[C@@H]3C2)cs1,75.08070000000005
+213663,Optimize the molecule CN1CCO[C@H](CNC(=O)C2(C[NH3+])CCOCC2)C1 to have a higher MR value.,CN1CCO[C@H](CNC(=O)C2(C[NH3+])CCOCC2)C1,70.48780000000004
+211433,Optimize the molecule CSC[C@@H](C)NC(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 to have a lower MR value.,CSC[C@@H](C)NC(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1,94.20970000000004
+238254,Modify the molecule C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CCCCC1 to decrease its MR value.,C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CCCCC1,110.64920000000005
+1361,Please modify the molecule CCc1cc(NC(=O)Cc2cccs2)nn1-c1ccccc1 to increase its MR value.,CCc1cc(NC(=O)Cc2cccs2)nn1-c1ccccc1,89.59470000000002
+33176,Modify the molecule Fc1ccccc1[C@H](C[NH2+]C1CC1)CC1CCOCC1 to decrease its MR value.,Fc1ccccc1[C@H](C[NH2+]C1CC1)CC1CCOCC1,77.11540000000005
+72297,Modify the molecule COc1cc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1OC to decrease its MR value.,COc1cc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1OC,119.17670000000004
+147278,Modify the molecule C[C@H](Nc1nccs1)C12CC3CC(CC(C3)C1)C2 to have a lower MR value.,C[C@H](Nc1nccs1)C12CC3CC(CC(C3)C1)C2,75.80370000000003
+27088,Please modify the molecule O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 to decrease its MR value.,O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1,79.76320000000001
+241666,Optimize the molecule Cc1ccc2c(COC(=O)Cn3cnc4c(cnn4C)c3=O)cc(=O)oc2c1 to have a higher MR value.,Cc1ccc2c(COC(=O)Cn3cnc4c(cnn4C)c3=O)cc(=O)oc2c1,99.78600000000003
+184821,Modify the molecule O=C(NNc1ccccc1[N+](=O)[O-])c1cccc2c1OCO2 to have a lower MR value.,O=C(NNc1ccccc1[N+](=O)[O-])c1cccc2c1OCO2,76.75030000000002
+242278,Modify the molecule C[C@H](CC(=O)c1cccs1)NC(=O)C[C@H](O)c1ccccc1 to have a lower MR value.,C[C@H](CC(=O)c1cccs1)NC(=O)C[C@H](O)c1ccccc1,86.89000000000004
+146334,Optimize the molecule Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCN(C(=O)C4CC4)CC3)C2=O)cc1C to have a higher MR value.,Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCN(C(=O)C4CC4)CC3)C2=O)cc1C,124.25970000000005
+159717,Please optimize the molecule C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1nncs1 to have a lower MR value.,C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1nncs1,91.15740000000004
+51068,Modify the molecule C[C@H]1CCCCN1C(=O)c1ccncc1C#CC[NH3+] to decrease its MR value.,C[C@H]1CCCCN1C(=O)c1ccncc1C#CC[NH3+],73.21960000000003
+207577,Optimize the molecule COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2cccn2)CN1C1Cc2ccccc2C1 to have a lower MR value.,COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2cccn2)CN1C1Cc2ccccc2C1,119.58320000000003
+167251,Please optimize the molecule Cc1[nH]c(CN[C@@H]2CCC[C@@H]3C2=CNN3c2ccc(C(C)(C)C)cc2)c[nH+]1 to have a lower MR value.,Cc1[nH]c(CN[C@@H]2CCC[C@@H]3C2=CNN3c2ccc(C(C)(C)C)cc2)c[nH+]1,109.19180000000004
+137809,Modify the molecule C=C(C)CN1CCC[C@@H]([NH+]2CCCCC2)C1 to have a lower MR value.,C=C(C)CN1CCC[C@@H]([NH+]2CCCCC2)C1,68.82370000000006
+196455,Please optimize the molecule COC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2C)CC1 to have a higher MR value.,COC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2C)CC1,96.74920000000004
+27031,Please optimize the molecule COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 to have a higher MR value.,COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1,93.53570000000003
+150388,Modify the molecule O=C(OC[C@@H](O)CO)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 to increase its MR value.,O=C(OC[C@@H](O)CO)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12,98.61350000000002
+211771,Modify the molecule O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 to decrease its MR value.,O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1,90.57370000000004
+140521,Modify the molecule CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)cc1 to decrease its MR value.,CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)cc1,111.56890000000003
+219694,Please optimize the molecule CC1(C)C[C@@H](NC(=O)c2cc(Br)ccc2-n2cnnn2)CCO1 to have a lower MR value.,CC1(C)C[C@@H](NC(=O)c2cc(Br)ccc2-n2cnnn2)CCO1,87.37320000000003
+170915,Please optimize the molecule O=C1CCC[C@@H]1CC[S@](=O)c1cccs1 to have a lower MR value.,O=C1CCC[C@@H]1CC[S@](=O)c1cccs1,62.55940000000004
+34565,Optimize the molecule O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 to have a lower MR value.,O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1,104.42550000000006
+177461,Optimize the molecule Cc1cccc(C)c1C(=O)NNc1c(F)cc(F)cc1Br to have a lower MR value.,Cc1cccc(C)c1C(=O)NNc1c(F)cc(F)cc1Br,81.06290000000001
+131866,Please optimize the molecule CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccnc1 to have a higher MR value.,CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccnc1,64.90620000000004
+63211,Please optimize the molecule CS[C@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O to have a higher MR value.,CS[C@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O,90.18740000000005
+243726,Optimize the molecule CCc1nn(C)cc1CNC[C@@H](O)c1ccc(Cl)s1 to have a higher MR value.,CCc1nn(C)cc1CNC[C@@H](O)c1ccc(Cl)s1,78.58150000000003
+241553,Modify the molecule Cc1ccc(-c2nc(NC(=O)c3ccncc3Cl)sc2C)s1 to have a higher MR value.,Cc1ccc(-c2nc(NC(=O)c3ccncc3Cl)sc2C)s1,92.10120000000002
+206406,Modify the molecule COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 to have a lower MR value.,COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1,107.30620000000003
+187203,Modify the molecule CC(C)N1CCO[C@@H](C(=O)Cc2ccc(F)cc2F)C1 to decrease its MR value.,CC(C)N1CCO[C@@H](C(=O)Cc2ccc(F)cc2F)C1,71.51800000000003
+174596,Please optimize the molecule CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 to have a higher MR value.,CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1,105.23440000000006
+114529,Please optimize the molecule O=C(NCc1cccc(Cl)c1)c1cc(-c2ccccc2)[nH]n1 to have a higher MR value.,O=C(NCc1cccc(Cl)c1)c1cc(-c2ccccc2)[nH]n1,86.64590000000003
+210783,Optimize the molecule COc1ccc(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c(OC)c1 to have a lower MR value.,COc1ccc(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c(OC)c1,115.75320000000002
+150912,Modify the molecule CC(=O)N[C@@H]1CCCN(C(=O)Nc2nnc(C(C)C)s2)C1 to decrease its MR value.,CC(=O)N[C@@H]1CCCN(C(=O)Nc2nnc(C(C)C)s2)C1,81.42840000000002
+65448,Modify the molecule C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccc(O)cc1 to increase its MR value.,C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccc(O)cc1,117.2437
+92380,Modify the molecule CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2ccccc2Cl)cc1 to increase its MR value.,CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2ccccc2Cl)cc1,110.24280000000002
+94844,Optimize the molecule NC(=O)[C@@H]1CCCN(C(=O)CN2CCc3c(F)ccc(F)c3C2)C1 to have a higher MR value.,NC(=O)[C@@H]1CCCN(C(=O)CN2CCc3c(F)ccc(F)c3C2)C1,83.83740000000002
+221139,Modify the molecule Clc1ccc(C[NH2+]Cc2ccncc2)c(Cl)c1 to have a lower MR value.,Clc1ccc(C[NH2+]Cc2ccncc2)c(Cl)c1,70.03240000000002
+69582,Modify the molecule COc1ccc(NC(=O)[C@H]2C(=O)N[C@]34CCCC[C@@H]3[C@H]2c2ccccc2O4)cc1 to increase its MR value.,COc1ccc(NC(=O)[C@H]2C(=O)N[C@]34CCCC[C@@H]3[C@H]2c2ccccc2O4)cc1,107.75640000000001
+235177,Optimize the molecule Cc1ccc(/C=C/C(=O)N2CCOCC2)o1 to have a higher MR value.,Cc1ccc(/C=C/C(=O)N2CCOCC2)o1,59.87800000000003
+117121,Modify the molecule Cc1nc(CNC(=O)c2cc(F)ccc2Br)c(C)s1 to increase its MR value.,Cc1nc(CNC(=O)c2cc(F)ccc2Br)c(C)s1,76.85820000000002
+222614,Optimize the molecule COc1cccc(C(=O)N2CCCN(C(C)=O)CC2)c1F to have a lower MR value.,COc1cccc(C(=O)N2CCCN(C(C)=O)CC2)c1F,75.72650000000003
+72370,Modify the molecule CC(=O)CCc1ccc(OC(=O)c2scnc2C2CC2)cc1 to decrease its MR value.,CC(=O)CCc1ccc(OC(=O)c2scnc2C2CC2)cc1,84.49150000000004
+57771,Optimize the molecule CC(C)(C)c1csc(C[C@H]2CCC[C@H](Br)C2)n1 to have a lower MR value.,CC(C)(C)c1csc(C[C@H]2CCC[C@H](Br)C2)n1,79.19100000000005
+211046,Please optimize the molecule N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1cccs1)S(=O)(=O)CC2 to have a lower MR value.,N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1cccs1)S(=O)(=O)CC2,98.19520000000003
+98892,Optimize the molecule O=C(CN1C(=O)CCC1=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 to have a lower MR value.,O=C(CN1C(=O)CCC1=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1,99.43050000000005
+90605,Modify the molecule Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)CC2CCCCC2)n1 to decrease its MR value.,Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)CC2CCCCC2)n1,111.78270000000006
+227947,Modify the molecule NS(=O)(=O)c1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1 to increase its MR value.,NS(=O)(=O)c1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1,100.12370000000001
+105980,Modify the molecule COc1ccccc1NC(=O)NCN1C(=O)c2ccccc2C1=O to have a higher MR value.,COc1ccccc1NC(=O)NCN1C(=O)c2ccccc2C1=O,86.95740000000004
+83024,Optimize the molecule O=C(CCCC1CCCC1)N1CCCN(C(=O)c2cccs2)CC1 to have a higher MR value.,O=C(CCCC1CCCC1)N1CCCN(C(=O)c2cccs2)CC1,97.22850000000007
+246844,Modify the molecule CSC[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1 to have a higher MR value.,CSC[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1,80.53270000000003
+152436,Optimize the molecule Cc1ccc(-n2nnnc2SCc2cc(C)on2)cc1 to have a higher MR value.,Cc1ccc(-n2nnnc2SCc2cc(C)on2)cc1,74.69200000000002
+197344,Optimize the molecule C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC[C@@H](C)[C@@H](O)C2)C1 to have a lower MR value.,C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC[C@@H](C)[C@@H](O)C2)C1,105.67000000000006
+74888,Modify the molecule C[NH+](Cc1ccc2nsnc2c1)Cc1ccccc1C(=O)[O-] to have a higher MR value.,C[NH+](Cc1ccc2nsnc2c1)Cc1ccccc1C(=O)[O-],82.48220000000003
+145796,Modify the molecule Cc1cc(C(=O)N2CC[C@H](C)[C@H](O)C2)c(Cl)cc1F to increase its MR value.,Cc1cc(C(=O)N2CC[C@H](C)[C@H](O)C2)c(Cl)cc1F,71.83830000000002
+161545,Please optimize the molecule C[C@@H]1CCCN(C(=O)C2CC[NH+]([C@H]3CCC[C@H](C4CC4)C3)CC2)C1 to have a higher MR value.,C[C@@H]1CCCN(C(=O)C2CC[NH+]([C@H]3CCC[C@H](C4CC4)C3)CC2)C1,96.86870000000008
+99403,Modify the molecule Cc1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(Cl)cc2)c1 to have a higher MR value.,Cc1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(Cl)cc2)c1,99.2917
+138632,Please optimize the molecule C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)c1ccsc1 to have a lower MR value.,C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)c1ccsc1,94.55070000000006
+104422,Optimize the molecule O=C(NOCc1ccccc1)C(=O)Nc1cc(F)ccc1Cl to have a lower MR value.,O=C(NOCc1ccccc1)C(=O)Nc1cc(F)ccc1Cl,79.41340000000002
+217803,Optimize the molecule O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC(n2cccc2)CC1 to have a higher MR value.,O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC(n2cccc2)CC1,97.75250000000001
+5782,Optimize the molecule O=c1cc(C(O)(c2ccccc2)c2ccccc2)cc[nH]1 to have a higher MR value.,O=c1cc(C(O)(c2ccccc2)c2ccccc2)cc[nH]1,82.04750000000004
+22063,Modify the molecule CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)cc1 to decrease its MR value.,CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)cc1,104.6974
+10744,Modify the molecule CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Br)cc2)o1 to increase its MR value.,CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Br)cc2)o1,102.91600000000004
+48432,Optimize the molecule Cc1nc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)sc1C(=O)N(C)C to have a higher MR value.,Cc1nc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)sc1C(=O)N(C)C,105.49220000000007
+219162,Please optimize the molecule Cc1ccc(N2C(=O)/C(=C\c3ccc(C#N)cc3)NC2=S)cc1C to have a lower MR value.,Cc1ccc(N2C(=O)/C(=C\c3ccc(C#N)cc3)NC2=S)cc1C,98.26970000000003
+170038,Modify the molecule C#CCN1CCN(C(=O)N[C@@H]2CCCC[C@H]2C)CC1 to decrease its MR value.,C#CCN1CCN(C(=O)N[C@@H]2CCCC[C@H]2C)CC1,76.79770000000005
+173190,Modify the molecule Oc1ccccc1Nc1ncnc2sc3c(c12)CCC3 to have a lower MR value.,Oc1ccccc1Nc1ncnc2sc3c(c12)CCC3,80.82950000000002
+214305,Please optimize the molecule COc1ccc(OC)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 to have a higher MR value.,COc1ccc(OC)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1,114.2942
+214396,Please optimize the molecule FC(F)(F)c1ccc(NN2CCCCC2)cn1 to have a lower MR value.,FC(F)(F)c1ccc(NN2CCCCC2)cn1,58.28570000000003
+38048,Please modify the molecule O=C([C@H]1COc2ccc(F)cc2C1)N1CCC[C@@H]1c1ccc(F)cc1 to increase its MR value.,O=C([C@H]1COc2ccc(F)cc2C1)N1CCC[C@@H]1c1ccc(F)cc1,89.17700000000004
+92264,Modify the molecule Cc1cnc(N[C@@H]2COC3(CC[NH2+]CC3)C2)nc1 to have a higher MR value.,Cc1cnc(N[C@@H]2COC3(CC[NH2+]CC3)C2)nc1,68.37310000000004
+44396,Modify the molecule CCCCc1ccc(Nc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c2N)cc1 to have a higher MR value.,CCCCc1ccc(Nc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c2N)cc1,122.20480000000003
+142293,Please modify the molecule COc1ccc([C@@H](C)[C@H](C)Br)c(C)c1 to decrease its MR value.,COc1ccc([C@@H](C)[C@H](C)Br)c(C)c1,64.53500000000004
+168635,Please optimize the molecule Cc1cc(Cl)ccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 to have a higher MR value.,Cc1cc(Cl)ccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1,108.22440000000005
+199533,Please modify the molecule CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C)n(C3CC3)c2C)C1 to increase its MR value.,CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C)n(C3CC3)c2C)C1,89.08200000000004
+142779,Please modify the molecule Cc1c(Cl)ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c12 to increase its MR value.,Cc1c(Cl)ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c12,91.92790000000002
+240363,Modify the molecule c1ccc(-c2n[nH]c(SCCOC[C@H]3CCCO3)n2)nc1 to have a higher MR value.,c1ccc(-c2n[nH]c(SCCOC[C@H]3CCCO3)n2)nc1,80.13070000000003
+232123,Modify the molecule CC[C@H](NC(=O)NNC(=O)COc1ccc(C#N)cc1)c1cccc(Cl)c1 to decrease its MR value.,CC[C@H](NC(=O)NNC(=O)COc1ccc(C#N)cc1)c1cccc(Cl)c1,100.9461
+165335,Modify the molecule Cc1cc(NC(=O)[C@H](C)SCc2ncn(-c3ccccc3)n2)no1 to increase its MR value.,Cc1cc(NC(=O)[C@H](C)SCc2ncn(-c3ccccc3)n2)no1,91.98570000000002
+197953,Please modify the molecule Cc1cccnc1C[NH2+][C@H](C)Cn1c[nH+]c(C)c1C to decrease its MR value.,Cc1cccnc1C[NH2+][C@H](C)Cn1c[nH+]c(C)c1C,74.52710000000003
+151896,Optimize the molecule CCc1nnc(NC(=O)COc2ccc3ccc(=O)oc3c2)s1 to have a higher MR value.,CCc1nnc(NC(=O)COc2ccc3ccc(=O)oc3c2)s1,85.89570000000002
+185646,Please optimize the molecule CC[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 to have a higher MR value.,CC[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1,80.85070000000005
+80874,Modify the molecule CCCC(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 to increase its MR value.,CCCC(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1,94.39490000000002
+192187,Optimize the molecule CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C=O)cc2)n1 to have a lower MR value.,CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C=O)cc2)n1,74.38950000000003
+213578,Please modify the molecule CC(C)(C)Oc1cc(C(=O)N[C@@H]2CCC[C@]2(C)CO)ccn1 to increase its MR value.,CC(C)(C)Oc1cc(C(=O)N[C@@H]2CCC[C@]2(C)CO)ccn1,84.91600000000004
+245684,Modify the molecule CCc1nnc(SCc2nonc2C)n1C to have a higher MR value.,CCc1nnc(SCc2nonc2C)n1C,58.97700000000002
+161746,Please optimize the molecule Cc1noc(C)c1[C@@H](C)CNCc1ccccn1 to have a lower MR value.,Cc1noc(C)c1[C@@H](C)CNCc1ccccn1,70.33570000000005
+41764,Please optimize the molecule C=Cc1ccc(C(=O)F)cc1 to have a lower MR value.,C=Cc1ccc(C(=O)F)cc1,41.97150000000001
+49406,Optimize the molecule CCCCOc1ccc([C@@H]([NH3+])Cc2ccc(C)cn2)cc1 to have a lower MR value.,CCCCOc1ccc([C@@H]([NH3+])Cc2ccc(C)cn2)cc1,85.15210000000005
+71062,Please modify the molecule C/[NH+]=C(/NCc1nc(C)no1)N1CCC[C@H](C)C1 to increase its MR value.,C/[NH+]=C(/NCc1nc(C)no1)N1CCC[C@H](C)C1,67.73940000000003
+89174,Optimize the molecule N#Cc1c(N)nc2c(c1N)[C@H](C(C#N)C#N)c1ccccc1O2 to have a higher MR value.,N#Cc1c(N)nc2c(c1N)[C@H](C(C#N)C#N)c1ccccc1O2,80.8518
+34404,Optimize the molecule Cc1nn(C)c(C)c1OS(=O)(=O)c1cnn(Cc2ccccc2)c1 to have a higher MR value.,Cc1nn(C)c(C)c1OS(=O)(=O)c1cnn(Cc2ccccc2)c1,88.26680000000003
+70817,Optimize the molecule CN(C)S(=O)(=O)c1cccc(Cn2ccnc2S(C)(=O)=O)c1 to have a lower MR value.,CN(C)S(=O)(=O)c1cccc(Cn2ccnc2S(C)(=O)=O)c1,81.75360000000005
+104466,Modify the molecule Cc1noc(/C=C/c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] to decrease its MR value.,Cc1noc(/C=C/c2ccc(Cl)cc2Cl)c1[N+](=O)[O-],73.28440000000002
+245158,Optimize the molecule NC(=O)c1c(NC(=O)CSc2nncn2-c2ccccc2)sc2c1CCC2 to have a higher MR value.,NC(=O)c1c(NC(=O)CSc2nncn2-c2ccccc2)sc2c1CCC2,105.57460000000002
+165185,Please optimize the molecule [NH3+][C@@]1(C(=O)[O-])CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 to have a higher MR value.,[NH3+][C@@]1(C(=O)[O-])CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1,66.56450000000001
+248646,Please modify the molecule O=C1C[C@H]2C=CC[C@H]2[C@@H](CI)O1 to decrease its MR value.,O=C1C[C@H]2C=CC[C@H]2[C@@H](CI)O1,54.12100000000003
+92528,Please optimize the molecule CCc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(OC)cc2)n1 to have a higher MR value.,CCc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(OC)cc2)n1,111.21490000000001
+24216,Modify the molecule Cc1ccccc1NC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 to have a lower MR value.,Cc1ccccc1NC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2,125.08870000000005
+4522,Please optimize the molecule [N-]=[N+]=NC[C@H](Nc1ccc(Br)cc1)C(=O)[O-] to have a lower MR value.,[N-]=[N+]=NC[C@H](Nc1ccc(Br)cc1)C(=O)[O-],60.57270000000002
+172810,Please modify the molecule COc1cc(F)cc(CNC(=O)NCc2ccccc2CN2CCCC2=O)c1 to increase its MR value.,COc1cc(F)cc(CNC(=O)NCc2ccccc2CN2CCCC2=O)c1,103.12040000000005
+208930,Please modify the molecule O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@H](c1ccccc1)c1ccccn1 to decrease its MR value.,O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@H](c1ccccc1)c1ccccn1,120.43140000000002
+191726,Please modify the molecule O=C1[NH+]=c2ccccc2=C[C@H]1CN(Cc1ccccc1)C(=O)c1ccncc1 to increase its MR value.,O=C1[NH+]=c2ccccc2=C[C@H]1CN(Cc1ccccc1)C(=O)c1ccncc1,104.13920000000002
+246166,Modify the molecule Fc1ccc(Br)c(C[NH2+]CCCO[C@@H]2CCOC2)c1 to increase its MR value.,Fc1ccc(Br)c(C[NH2+]CCCO[C@@H]2CCOC2)c1,74.38940000000004
+117888,Modify the molecule COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c1 to increase its MR value.,COc1ccc(OC)c(/C=C/C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c1,98.03470000000002
+98271,Please modify the molecule C=C(CC)C[C@H](O)[C@](C)(CC)N1CCOCC1 to decrease its MR value.,C=C(CC)C[C@H](O)[C@](C)(CC)N1CCOCC1,71.14280000000005
+33548,Modify the molecule C[C@@H]1Cc2ccccc2N1C(=O)COc1ccccc1F to decrease its MR value.,C[C@@H]1Cc2ccccc2N1C(=O)COc1ccccc1F,78.98900000000003
+81564,Optimize the molecule [NH3+][C@H]1C=C(Cc2nc3ccccc3s2)CC1 to have a higher MR value.,[NH3+][C@H]1C=C(Cc2nc3ccccc3s2)CC1,67.31710000000002
+103215,Optimize the molecule C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 to have a higher MR value.,C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1,119.51980000000002
+883,Modify the molecule CCS(=O)(=O)CCN(C)Cc1c[nH]nc1-c1ccc(C)cc1 to have a higher MR value.,CCS(=O)(=O)CCN(C)Cc1c[nH]nc1-c1ccc(C)cc1,89.42250000000004
+209674,Optimize the molecule C#CC[C@H](NC(=O)c1cc(F)ccc1O)C(N)=O to have a higher MR value.,C#CC[C@H](NC(=O)c1cc(F)ccc1O)C(N)=O,61.963400000000014
+187103,Modify the molecule Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] to decrease its MR value.,Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-],86.93680000000005
+32459,Optimize the molecule CC[C@H](OC(=O)[C@H]1CCN(C(C)=O)C1)c1ccc(F)cc1F to have a higher MR value.,CC[C@H](OC(=O)[C@H]1CCN(C(C)=O)C1)c1ccc(F)cc1F,75.84300000000003
+67397,Optimize the molecule COCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1cccnc1 to have a higher MR value.,COCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1cccnc1,88.13770000000004
+247227,Please optimize the molecule CO[C@H](C)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 to have a higher MR value.,CO[C@H](C)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1,83.27520000000004
+132383,Modify the molecule Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 to decrease its MR value.,Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1,101.00440000000002
+197632,Optimize the molecule Cc1ccc(N2C(=O)CCSC2=S)cc1C to have a higher MR value.,Cc1ccc(N2C(=O)CCSC2=S)cc1C,73.07500000000003
+5778,Please optimize the molecule Cc1ccn2cc(C(=O)NCCc3cc(F)cc4c3OCOC4)nc2c1 to have a lower MR value.,Cc1ccn2cc(C(=O)NCCc3cc(F)cc4c3OCOC4)nc2c1,92.65020000000004
+93207,Modify the molecule Cc1cc(Br)cnc1Sc1nc(CC(=O)[O-])cs1 to decrease its MR value.,Cc1cc(Br)cnc1Sc1nc(CC(=O)[O-])cs1,71.62200000000001
+102888,Modify the molecule OCCSc1ccc(F)cc1 to increase its MR value.,OCCSc1ccc(F)cc1,44.20980000000003
+219985,Modify the molecule CCC[C@@H]([NH3+])c1noc([C@@H]2Cc3ccccc3S2)n1 to increase its MR value.,CCC[C@@H]([NH3+])c1noc([C@@H]2Cc3ccccc3S2)n1,73.57910000000004
+199401,Please optimize the molecule CCOC(=O)C1=C(COC(=O)c2oc3c(F)cccc3c2C)NC(=O)N[C@H]1C to have a lower MR value.,CCOC(=O)C1=C(COC(=O)c2oc3c(F)cccc3c2C)NC(=O)N[C@H]1C,95.97990000000003
+245031,Please modify the molecule NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 to increase its MR value.,NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)c[nH]1,59.05560000000001
+29804,Please modify the molecule CCC[C@H](COC)N1CCC(=O)N2CCCC[C@H]2C1=O to increase its MR value.,CCC[C@H](COC)N1CCC(=O)N2CCCC[C@H]2C1=O,76.25400000000005
+20962,Please optimize the molecule Fc1ccc([C@@]2(c3noc(-c4cn[nH]c4)n3)CCOC2)cc1 to have a lower MR value.,Fc1ccc([C@@]2(c3noc(-c4cn[nH]c4)n3)CCOC2)cc1,74.49570000000001
+30434,Modify the molecule Cc1noc(-c2ccc(C(=O)NCCCCN3CCOCC3)cc2)n1 to decrease its MR value.,Cc1noc(-c2ccc(C(=O)NCCCCN3CCOCC3)cc2)n1,93.29720000000005
+209515,Modify the molecule CN(CC(=O)N1CCC(c2ccccc2)CC1)S(=O)(=O)c1ccccc1C#N to have a higher MR value.,CN(CC(=O)N1CCC(c2ccccc2)CC1)S(=O)(=O)c1ccccc1C#N,105.96980000000005
+214400,Modify the molecule CC[C@@](C)([C@@H](O)c1cccc(OC)c1)[NH+]1CCCCC1 to have a higher MR value.,CC[C@@](C)([C@@H](O)c1cccc(OC)c1)[NH+]1CCCCC1,81.19750000000006
+2418,Modify the molecule O=C1c2ccc(Oc3cccc(NC(=O)C(F)(F)F)c3)cc2C(=O)N1C[C@H]1CCCO1 to have a lower MR value.,O=C1c2ccc(Oc3cccc(NC(=O)C(F)(F)F)c3)cc2C(=O)N1C[C@H]1CCCO1,101.98370000000003
+56066,Please modify the molecule COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)ccc1O to increase its MR value.,COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)ccc1O,107.41990000000003
+85537,Please modify the molecule C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1cnc(Oc2ccccc2)cn1 to increase its MR value.,C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1cnc(Oc2ccccc2)cn1,100.50220000000004
+167864,Please modify the molecule Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-] to decrease its MR value.,Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-],64.8759
+124384,Optimize the molecule Cc1ccc([S@@](=O)CC(=O)N[C@H](C)c2ccccc2)nc1 to have a higher MR value.,Cc1ccc([S@@](=O)CC(=O)N[C@H](C)c2ccccc2)nc1,83.24910000000004
+125601,Please optimize the molecule O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc2ccc3cccnc3c2[nH]1 to have a higher MR value.,O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc2ccc3cccnc3c2[nH]1,124.72660000000002
+28246,Please optimize the molecule C=C(C)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1 to have a higher MR value.,C=C(C)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1,105.43700000000004
+66220,Please optimize the molecule Cc1ccc(CN2C[C@@H](C(=O)N3CC[C@@H](C(N)=O)C3)CC2=O)cc1 to have a lower MR value.,Cc1ccc(CN2C[C@@H](C(=O)N3CC[C@@H](C(N)=O)C3)CC2=O)cc1,88.58440000000003
+205771,Please modify the molecule CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c2ccccc12 to decrease its MR value.,CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c2ccccc12,122.74700000000004
+36407,Optimize the molecule CC(=O)N1N/C(=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)C[C@H]1c1cccs1 to have a higher MR value.,CC(=O)N1N/C(=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)C[C@H]1c1cccs1,111.29940000000002
+193324,Please optimize the molecule CCOc1ccc(NC(=O)C[NH+]2CCC(c3nnc(C(C)C)o3)CC2)cc1 to have a higher MR value.,CCOc1ccc(NC(=O)C[NH+]2CCC(c3nnc(C(C)C)o3)CC2)cc1,102.16640000000004
+33854,Please modify the molecule COc1ccc(NC(=O)CN(C)C(=O)c2cccc(N3CCCC3=O)c2)cc1 to increase its MR value.,COc1ccc(NC(=O)CN(C)C(=O)c2cccc(N3CCCC3=O)c2)cc1,106.61320000000003
+93703,Modify the molecule COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 to have a higher MR value.,COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](n2cccn2)Cc2ccccc21,87.37600000000005
+156052,Modify the molecule C[C@@H](Sc1nnc(CN2CCCC2=O)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1 to have a higher MR value.,C[C@@H](Sc1nnc(CN2CCCC2=O)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1,97.95700000000002
+7491,Optimize the molecule CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H](O)c1ccccc1 to have a higher MR value.,CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H](O)c1ccccc1,88.95330000000001
+56477,Please optimize the molecule CCN(CCc1ccncc1)[C@@H](C)c1cccc(O)c1 to have a higher MR value.,CCN(CCc1ccncc1)[C@@H](C)c1cccc(O)c1,81.70980000000004
+94822,Optimize the molecule Cc1nn(C)c2c1[nH]c(=S)n2-c1ccccc1F to have a higher MR value.,Cc1nn(C)c2c1[nH]c(=S)n2-c1ccccc1F,69.92070000000001
+156674,Modify the molecule C=CCOC(=O)C1=C(C)NC(=O)[C@@]12C(C(=O)OCC)=C(N)Oc1ccccc12 to decrease its MR value.,C=CCOC(=O)C1=C(C)NC(=O)[C@@]12C(C(=O)OCC)=C(N)Oc1ccccc12,98.5931
+152584,Modify the molecule Cc1cc(Br)c(O)c(C(=O)Nc2ccccc2CC(=O)N(C)C)c1 to decrease its MR value.,Cc1cc(Br)c(O)c(C(=O)Nc2ccccc2CC(=O)N(C)C)c1,97.33700000000003
+195408,Please modify the molecule O=[N+]([O-])c1cccc(N[C@@H]2CCCc3cccnc32)c1 to decrease its MR value.,O=[N+]([O-])c1cccc(N[C@@H]2CCCc3cccnc32)c1,76.63510000000004
+82962,Please optimize the molecule CCOC(=O)c1ccc(C[NH+]2CCC(c3cnn(C)c3)CC2)o1 to have a lower MR value.,CCOC(=O)c1ccc(C[NH+]2CCC(c3cnn(C)c3)CC2)o1,84.24820000000004
+41107,Please optimize the molecule C[C@H](NC(=O)C1CCCC1)c1ccccc1N to have a higher MR value.,C[C@H](NC(=O)C1CCCC1)c1ccccc1N,69.37010000000004
+57423,Please optimize the molecule COc1ccccc1-c1ccc(C[C@@]2(C(=O)N(C)C)CC[NH+](Cc3cccc(C)n3)C2)cc1 to have a higher MR value.,COc1ccccc1-c1ccc(C[C@@]2(C(=O)N(C)C)CC[NH+](Cc3cccc(C)n3)C2)cc1,131.2527
+62413,Modify the molecule C[C@H]1C[C@H]1C(=O)N(CC#N)C1CCCC1 to have a lower MR value.,C[C@H]1C[C@H]1C(=O)N(CC#N)C1CCCC1,56.853000000000044
+130718,Please modify the molecule O=C(NCc1nc(-c2cccs2)n[nH]1)c1cc(-c2ccccc2)on1 to increase its MR value.,O=C(NCc1nc(-c2cccs2)n[nH]1)c1cc(-c2ccccc2)on1,92.8049
+224280,Please modify the molecule C=CCN(C(=O)CCCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 to increase its MR value.,C=CCN(C(=O)CCCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1,93.08580000000006
+1492,Please optimize the molecule CCN1CC(=O)Nc2cc(C(=O)N[C@H]3CCO[C@@H]3c3ccccc3)ccc21 to have a higher MR value.,CCN1CC(=O)Nc2cc(C(=O)N[C@H]3CCO[C@@H]3c3ccccc3)ccc21,103.96490000000004
+202093,Modify the molecule CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 to decrease its MR value.,CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1,91.66640000000002
+135933,Please optimize the molecule CCOc1ccc(/N=C(\NC)S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 to have a lower MR value.,CCOc1ccc(/N=C(\NC)S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1,113.70670000000003
+28135,Optimize the molecule NC(=O)[C@H]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C1 to have a lower MR value.,NC(=O)[C@H]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C1,85.91290000000005
+108268,Optimize the molecule C[C@H]1CCCN(C(=O)Nc2ccccc2-n2ccnn2)[C@H]1CO to have a higher MR value.,C[C@H]1CCCN(C(=O)Nc2ccccc2-n2ccnn2)[C@H]1CO,86.35550000000003
+153921,Optimize the molecule Cc1cc(C)cc([C@H]2OCC[C@H]2C[NH2+]C(C)C)c1 to have a lower MR value.,Cc1cc(C)cc([C@H]2OCC[C@H]2C[NH2+]C(C)C)c1,74.64440000000005
+240654,Modify the molecule CSCC(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 to increase its MR value.,CSCC(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1,78.73770000000003
+234131,Modify the molecule Cc1c(C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)cnn1-c1ccc([O-])nn1 to decrease its MR value.,Cc1c(C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)cnn1-c1ccc([O-])nn1,113.74790000000003
+180113,Modify the molecule CC(=O)Nc1ccc(C[NH+]2CCCCC[C@@H]2c2cc(C)no2)cc1 to have a lower MR value.,CC(=O)Nc1ccc(C[NH+]2CCCCC[C@@H]2c2cc(C)no2)cc1,92.72840000000005
+178894,Modify the molecule CC1(C)CCC(O)(CNC(=O)N2CCCCCC2)CC1 to have a higher MR value.,CC1(C)CCC(O)(CNC(=O)N2CCCCCC2)CC1,80.63850000000005
+132371,Please modify the molecule Cc1cc(C[S@](=O)Cc2nc(C3CC3)no2)c2ccccc2n1 to decrease its MR value.,Cc1cc(C[S@](=O)Cc2nc(C3CC3)no2)c2ccccc2n1,88.30340000000004
+124540,Please modify the molecule C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cccc(Cl)n1 to decrease its MR value.,C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cccc(Cl)n1,62.859500000000025
+234051,Modify the molecule N#Cc1cccc(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 to decrease its MR value.,N#Cc1cccc(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1,90.51290000000002
+113370,Modify the molecule COc1cc(C)c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1OC to increase its MR value.,COc1cc(C)c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1OC,98.40870000000002
+9228,Please modify the molecule COc1ccccc1[C@@H]1CCCN1C(=O)CCCCNC(N)=O to decrease its MR value.,COc1ccccc1[C@@H]1CCCN1C(=O)CCCCNC(N)=O,88.11910000000005
+106702,Optimize the molecule CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(C(=O)OC)CC1 to have a higher MR value.,CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(C(=O)OC)CC1,93.41320000000005
+149599,Please modify the molecule COCCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)n1C to decrease its MR value.,COCCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)n1C,91.38070000000005
+48831,Please optimize the molecule COc1ccc(C2(NC(=O)c3cnn(C(C)C)c3)CCCCC2)cc1 to have a higher MR value.,COc1ccc(C2(NC(=O)c3cnn(C(C)C)c3)CCCCC2)cc1,97.83520000000004
+71092,Modify the molecule Cc1cc(C)c2oc(=O)cc(CN3CCN(c4ccccc4)CC3)c2c1 to decrease its MR value.,Cc1cc(C)c2oc(=O)cc(CN3CCN(c4ccccc4)CC3)c2c1,105.89000000000006
+131704,Modify the molecule C=C1C(=O)O[C@@H]2[C@H]1[C@H](O)C[C@]1(C)[C@@H](O)CC[C@H](C=O)[C@@H]21 to increase its MR value.,C=C1C(=O)O[C@@H]2[C@H]1[C@H](O)C[C@]1(C)[C@@H](O)CC[C@H](C=O)[C@@H]21,69.52560000000004
+150987,Please optimize the molecule COc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O to have a lower MR value.,COc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O,129.9694
+240252,Modify the molecule CC(=O)c1ccc(-c2ccnc(Cl)n2)cc1 to have a higher MR value.,CC(=O)c1ccc(-c2ccnc(Cl)n2)cc1,62.48250000000002
+239795,Modify the molecule CC1CCC(NC(=O)c2cccc3[nH]ccc23)CC1 to decrease its MR value.,CC1CCC(NC(=O)c2cccc3[nH]ccc23)CC1,77.18490000000004
+207860,Optimize the molecule Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 to have a higher MR value.,Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1,80.20440000000002
+142125,Optimize the molecule O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 to have a higher MR value.,O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc2c(c1)OCO2,87.89920000000002
+92995,Modify the molecule CC(=O)c1cccc(NC(=O)CCCc2nnc3ccccn23)c1 to have a higher MR value.,CC(=O)c1cccc(NC(=O)CCCc2nnc3ccccn23)c1,91.00120000000003
+107764,Please modify the molecule COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c(OCc2ccccc2)c1 to increase its MR value.,COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c(OCc2ccccc2)c1,104.76740000000004
+63853,Optimize the molecule CC[C@H](NC(=O)N[C@@H](c1ccccc1C)C1CC1)C(=O)N1CCOCC1 to have a lower MR value.,CC[C@H](NC(=O)N[C@@H](c1ccccc1C)C1CC1)C(=O)N1CCOCC1,99.78940000000006
+183442,Optimize the molecule CC[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)S(C)(=O)=O to have a higher MR value.,CC[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)S(C)(=O)=O,69.17050000000003
+205774,Please optimize the molecule COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cccc(Br)c2)CC1 to have a lower MR value.,COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cccc(Br)c2)CC1,117.04200000000003
+128535,Please modify the molecule CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SC)nn21 to increase its MR value.,CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SC)nn21,106.22370000000004
+245052,Please optimize the molecule CC1(C)NC(=O)N(CCCNC(=O)C(C)(C)c2ccccc2)C1=O to have a lower MR value.,CC1(C)NC(=O)N(CCCNC(=O)C(C)(C)c2ccccc2)C1=O,91.41840000000005
+206157,Please modify the molecule CCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)[C@H]1CCS(=O)(=O)C1 to increase its MR value.,CCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)[C@H]1CCS(=O)(=O)C1,108.24250000000005
+109619,Modify the molecule Cc1nc(NC(=O)[C@H](C)Sc2nnc(C)n2N)sc1C to increase its MR value.,Cc1nc(NC(=O)[C@H](C)Sc2nnc(C)n2N)sc1C,80.44610000000002
+151195,Modify the molecule CC[C@@H](C)NC(=O)C[NH+]1CCN(C(=O)NCCc2ccccc2)CC1 to have a higher MR value.,CC[C@@H](C)NC(=O)C[NH+]1CCN(C(=O)NCCc2ccccc2)CC1,98.57710000000007
+7077,Optimize the molecule CC[C@H](C[NH2+]C)Cc1nc(C)cs1 to have a higher MR value.,CC[C@H](C[NH2+]C)Cc1nc(C)cs1,57.052400000000034
+108697,Please modify the molecule NNC(=O)c1cn(CCN2CCN3C(=O)NC[C@H]3C2)nn1 to increase its MR value.,NNC(=O)c1cn(CCN2CCN3C(=O)NC[C@H]3C2)nn1,72.00830000000002
+218779,Optimize the molecule C[C@H]1CN(c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 to have a lower MR value.,C[C@H]1CN(c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1,92.82700000000006
+30618,Modify the molecule CCC(=O)N1CCCN(C(=O)c2cc(C)n(C)n2)CC1 to have a higher MR value.,CCC(=O)N1CCCN(C(=O)c2cc(C)n(C)n2)CC1,75.33650000000004
+101332,Optimize the molecule C[C@H]1CC(=O)Nc2ccc([N+](=O)[O-])cc2N1C to have a lower MR value.,C[C@H]1CC(=O)Nc2ccc([N+](=O)[O-])cc2N1C,64.20810000000003
+48573,Optimize the molecule N#CCCN(CC1CC1)S(=O)(=O)c1cc(F)ccc1Cl to have a lower MR value.,N#CCCN(CC1CC1)S(=O)(=O)c1cc(F)ccc1Cl,73.12280000000003
+110516,Modify the molecule O=C(OC1CCCCC1)c1ccccc1F to decrease its MR value.,O=C(OC1CCCCC1)c1ccccc1F,58.68850000000003
+203163,Modify the molecule COc1ccccc1OCC(=O)Nc1ccccc1I to increase its MR value.,COc1ccccc1OCC(=O)Nc1ccccc1I,86.27770000000004
+208366,Modify the molecule CCC(CC)C(=O)Nc1ccccc1[C@H](C)CC to have a higher MR value.,CCC(CC)C(=O)Nc1ccccc1[C@H](C)CC,77.84970000000006
+136006,Modify the molecule CCOC(=O)c1cc(C(=O)NN2Cc3ccccc3C2)cc([N+](=O)[O-])c1 to have a higher MR value.,CCOC(=O)c1cc(C(=O)NN2Cc3ccccc3C2)cc([N+](=O)[O-])c1,92.20810000000004
+219954,Please optimize the molecule O=C1c2ccccc2[C@@]2(O)NC(=S)N[C@]12O to have a higher MR value.,O=C1c2ccccc2[C@@]2(O)NC(=S)N[C@]12O,58.48850000000001
+85911,Please modify the molecule O=C1[C@@H]2C[C@@H](C[NH+]2Cc2ccccn2)N1c1cccc(Cl)c1 to increase its MR value.,O=C1[C@@H]2C[C@@H](C[NH+]2Cc2ccccn2)N1c1cccc(Cl)c1,84.90170000000005
+65253,Modify the molecule OCC1CC[NH+](Cc2cccc(NC3CCCCCC3)c2)CC1 to increase its MR value.,OCC1CC[NH+](Cc2cccc(NC3CCCCCC3)c2)CC1,95.76520000000006
+102505,Modify the molecule O=C(CCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)Nc1ccc(O)cc1 to increase its MR value.,O=C(CCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)Nc1ccc(O)cc1,113.95630000000001
+50131,Modify the molecule Cn1cccc1[C@@H]1CCC[NH+]1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 to have a higher MR value.,Cn1cccc1[C@@H]1CCC[NH+]1CC(=O)Nc1sc2c(c1C(N)=O)CCC2,101.57630000000005
+193099,Please modify the molecule Cc1nccn1-c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)cc1 to decrease its MR value.,Cc1nccn1-c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)cc1,96.42670000000001
+44708,Modify the molecule COC(=O)C[C@@H](C=O)C(=O)OC to have a lower MR value.,COC(=O)C[C@@H](C=O)C(=O)OC,38.203
+94826,Modify the molecule COC(=O)CN1CCNC[C@@H]1C#N to increase its MR value.,COC(=O)CN1CCNC[C@@H]1C#N,45.859700000000025
+3460,Please optimize the molecule Cc1cc(OC(F)F)c(C(=O)N2CCSC2)s1 to have a higher MR value.,Cc1cc(OC(F)F)c(C(=O)N2CCSC2)s1,64.04950000000002
+239267,Modify the molecule O[C@H](C[NH+]1CCC(OCc2ccc(F)cc2)CC1)c1ccc(F)cc1 to have a lower MR value.,O[C@H](C[NH+]1CCC(OCc2ccc(F)cc2)CC1)c1ccc(F)cc1,91.13450000000005
+160714,Optimize the molecule CC[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cccc([N+](=O)[O-])c1 to have a higher MR value.,CC[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cccc([N+](=O)[O-])c1,96.37360000000005
+109101,Optimize the molecule CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(C(N)=O)cs1 to have a lower MR value.,CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(C(N)=O)cs1,86.54580000000001
+160177,Optimize the molecule CC[C@H]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 to have a lower MR value.,CC[C@H]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1,90.58470000000005
+44949,Modify the molecule CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(CC[NH3+])nc2ccccc12 to increase its MR value.,CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(CC[NH3+])nc2ccccc12,100.39180000000003
+91708,Modify the molecule O=C(NCC[S@@](=O)Cc1ccccc1)[C@H]1CCCc2ccccc21 to have a higher MR value.,O=C(NCC[S@@](=O)Cc1ccccc1)[C@H]1CCCc2ccccc21,98.28610000000005
+63783,Please modify the molecule Cc1ccc(C[NH+]2CCN(Cc3cccn3-c3cccnc3)C[C@@H]2CCO)o1 to increase its MR value.,Cc1ccc(C[NH+]2CCN(Cc3cccn3-c3cccnc3)C[C@@H]2CCO)o1,107.31050000000005
+37021,Modify the molecule CC(C)(C)[C@H]1CCc2nc(N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c2C1 to have a lower MR value.,CC(C)(C)[C@H]1CCc2nc(N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c2C1,100.42480000000002
+143639,Please modify the molecule COC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1 to increase its MR value.,COC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1,89.41740000000006
+139761,Please optimize the molecule COc1cccc([C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c2nccn2C)c1 to have a higher MR value.,COc1cccc([C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c2nccn2C)c1,104.82050000000002
+36594,Please modify the molecule O[C@@H](Cn1cnc2c(N3CCCC3)ncnc21)c1cc(F)ccc1F to increase its MR value.,O[C@@H](Cn1cnc2c(N3CCCC3)ncnc21)c1cc(F)ccc1F,88.08780000000003
+36800,Please modify the molecule COc1cc(C[NH+](C)[C@H]2CCC[C@@H]2S(C)(=O)=O)cc(Br)c1O to decrease its MR value.,COc1cc(C[NH+](C)[C@H]2CCC[C@@H]2S(C)(=O)=O)cc(Br)c1O,89.22030000000005
+125052,Please modify the molecule CCn1ccc2ccc(NC(=O)C(=O)N3CC[C@@H](C(N)=O)C3)cc21 to decrease its MR value.,CCn1ccc2ccc(NC(=O)C(=O)N3CC[C@@H](C(N)=O)C3)cc21,90.12310000000002
+118512,Please modify the molecule Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1ccco1 to decrease its MR value.,Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1ccco1,68.48940000000003
+155685,Modify the molecule CC(C)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1 to have a higher MR value.,CC(C)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1,96.21570000000004
+225131,Modify the molecule CCS[C@H]1CCCCN(c2ccc(C(=O)Nc3ccccc3)nn2)C1 to have a lower MR value.,CCS[C@H]1CCCCN(c2ccc(C(=O)Nc3ccccc3)nn2)C1,104.41120000000004
+160869,Please optimize the molecule CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1cccnc1 to have a higher MR value.,CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1cccnc1,117.75470000000001
+77346,Optimize the molecule COCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 to have a lower MR value.,COCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1,112.85670000000005
+154989,Optimize the molecule CN1CCCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2nc3ccccc3nc21 to have a lower MR value.,CN1CCCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2nc3ccccc3nc21,128.32100000000005
+27914,Please modify the molecule Cc1cc(N2CCC[C@H]2c2cc(CCC(N)=O)nc(C)n2)ncn1 to increase its MR value.,Cc1cc(N2CCC[C@H]2c2cc(CCC(N)=O)nc(C)n2)ncn1,90.37440000000002
+216025,Please modify the molecule N#Cc1c(N)sc2c1CCN(C(=O)CN1C(=O)CCc3ccccc31)C2 to increase its MR value.,N#Cc1c(N)sc2c1CCN(C(=O)CN1C(=O)CCc3ccccc31)C2,99.6834
+200257,Please optimize the molecule C[C@H](CO)NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1 to have a higher MR value.,C[C@H](CO)NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1,95.29520000000002
+192345,Modify the molecule CO[C@@H]1CCCN(C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)C1 to decrease its MR value.,CO[C@@H]1CCCN(C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)C1,101.31470000000007
+248844,Please optimize the molecule Cc1sc2ncnc(Cl)c2c1C to have a higher MR value.,Cc1sc2ncnc(Cl)c2c1C,51.899000000000015
+130535,Please modify the molecule Cc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 to increase its MR value.,Cc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1,56.95740000000002
+115384,Optimize the molecule C[C@H]1Oc2ccc(C(=O)C3CCN(c4cnccc4C#N)CC3)cc2NC1=O to have a higher MR value.,C[C@H]1Oc2ccc(C(=O)C3CCN(c4cnccc4C#N)CC3)cc2NC1=O,103.38120000000004
+35992,Modify the molecule COc1ccccc1Cc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 to have a higher MR value.,COc1ccccc1Cc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1,99.45270000000002
+203560,Modify the molecule C[C@@H](O)[C@@H](C)Oc1cccc2c1CCC[C@@H]2O to have a higher MR value.,C[C@@H](O)[C@@H](C)Oc1cccc2c1CCC[C@@H]2O,66.11060000000003
+231646,Modify the molecule CC[C@H](C)NS(=O)(=O)c1ccc(Cl)c2ccccc12 to increase its MR value.,CC[C@H](C)NS(=O)(=O)c1ccc(Cl)c2ccccc12,79.03250000000004
+197133,Please modify the molecule Cc1cc(C(=O)OCCNc2cccnn2)nn1C to increase its MR value.,Cc1cc(C(=O)OCCNc2cccnn2)nn1C,68.74920000000002
+122293,Modify the molecule CCc1ncnc(N[C@H](C)c2ccc(Cl)s2)c1F to have a lower MR value.,CCc1ncnc(N[C@H](C)c2ccc(Cl)s2)c1F,72.73470000000002
+156593,Modify the molecule N#Cc1cc([N+](=O)[O-])ccc1NCc1ccon1 to increase its MR value.,N#Cc1cc([N+](=O)[O-])ccc1NCc1ccon1,61.64110000000002
+169803,Please optimize the molecule CC1CC[NH+]([C@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)c2cccs2)CC1 to have a lower MR value.,CC1CC[NH+]([C@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)c2cccs2)CC1,118.49810000000004
+86288,Please modify the molecule COc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1 to increase its MR value.,COc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1,97.71150000000004
+16675,Modify the molecule CNC(=O)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1C to decrease its MR value.,CNC(=O)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1C,81.77770000000004
+53262,Please optimize the molecule Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(C(=O)[O-])CC1 to have a lower MR value.,Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(C(=O)[O-])CC1,85.12450000000003
+174211,Modify the molecule CC[C@H](CSC)[NH+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 to increase its MR value.,CC[C@H](CSC)[NH+](C)Cc1cc(=O)oc2c(C)c(C)ccc12,95.00970000000005
+215737,Optimize the molecule CC(C)=C[C@H]1[C@@H](C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1(C)C to have a lower MR value.,CC(C)=C[C@H]1[C@@H](C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1(C)C,87.11880000000006
+83834,Please optimize the molecule CC(=O)NCC#CCOc1cccc2cccnc12 to have a lower MR value.,CC(=O)NCC#CCOc1cccc2cccnc12,73.69770000000003
+139480,Please optimize the molecule Cc1nccn1-c1ccc2nccnc2n1 to have a lower MR value.,Cc1nccn1-c1ccc2nccnc2n1,59.19200000000002
+84046,Please modify the molecule C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCCC[C@H]1C(N)=O to decrease its MR value.,C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCCC[C@H]1C(N)=O,74.18260000000002
+21024,Modify the molecule COc1ccc(NCc2ccc(C)cc2)cc1 to have a lower MR value.,COc1ccc(NCc2ccc(C)cc2)cc1,71.49970000000003
+239317,Optimize the molecule O=C(c1ccccc1Cl)N1CCC[NH+](Cn2nnc3ccccc3c2=O)CC1 to have a lower MR value.,O=C(c1ccccc1Cl)N1CCC[NH+](Cn2nnc3ccccc3c2=O)CC1,106.46720000000003
+83772,Modify the molecule COC(=O)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@H]3C(=O)NC1CCCCC1 to have a lower MR value.,COC(=O)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@H]3C(=O)NC1CCCCC1,110.68620000000003
+212845,Modify the molecule Cc1cc(C)cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 to have a lower MR value.,Cc1cc(C)cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1,100.73140000000004
+39119,Optimize the molecule ClC[C@H]1CC(C2CCCCC2)=NO1 to have a lower MR value.,ClC[C@H]1CC(C2CCCCC2)=NO1,54.220000000000034
+7886,Please optimize the molecule Cc1ccc2[nH+]c(N3CCC(C(=O)NCCC[NH+]4CCCC[C@@H]4C)CC3)[nH]c2c1 to have a lower MR value.,Cc1ccc2[nH+]c(N3CCC(C(=O)NCCC[NH+]4CCCC[C@@H]4C)CC3)[nH]c2c1,116.16480000000007
+242862,Modify the molecule C/[NH+]=C(/NCc1cccc(C)c1)NCc1ccc(-n2ccnc2)c(F)c1 to have a lower MR value.,C/[NH+]=C(/NCc1cccc(C)c1)NCc1ccc(-n2ccnc2)c(F)c1,100.27410000000005
+25379,Please modify the molecule Cc1ccsc1[C@@H]1CCN(C(=O)c2nc3c(s2)CCCC3)C[C@H]1O to decrease its MR value.,Cc1ccsc1[C@@H]1CCN(C(=O)c2nc3c(s2)CCCC3)C[C@H]1O,97.08030000000004
+32723,Please modify the molecule CCc1[nH]ncc1C[NH2+]C1CC1 to increase its MR value.,CCc1[nH]ncc1C[NH2+]C1CC1,46.617100000000015
+29196,Please optimize the molecule COc1ccc2ccn(CCCOc3ccc([N+](=O)[O-])cc3)c(=O)c2c1 to have a lower MR value.,COc1ccc2ccn(CCCOc3ccc([N+](=O)[O-])cc3)c(=O)c2c1,97.96840000000005
+237124,Please optimize the molecule CC(C)CNC(=O)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1 to have a higher MR value.,CC(C)CNC(=O)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1,105.41440000000006
+126154,Optimize the molecule COc1ccccc1CN(C(=O)N[C@@H]1CCc2ccccc21)C1CC1 to have a higher MR value.,COc1ccccc1CN(C(=O)N[C@@H]1CCc2ccccc21)C1CC1,97.59470000000005
+82970,Modify the molecule COc1ccc(OC(=O)Cc2ccc(F)c(F)c2)cc1 to decrease its MR value.,COc1ccc(OC(=O)Cc2ccc(F)c(F)c2)cc1,68.69100000000002
+23427,Modify the molecule Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1 to have a higher MR value.,Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1,83.71120000000003
+80544,Please modify the molecule Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1 to increase its MR value.,Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1,86.33090000000001
+10813,Please modify the molecule CCCCN(C)C(=O)C1CCN(C(=O)N[C@@H]2CCCC[C@@H]2CC)CC1 to decrease its MR value.,CCCCN(C)C(=O)C1CCN(C(=O)N[C@@H]2CCCC[C@@H]2CC)CC1,101.41070000000008
+56815,Please modify the molecule CCOc1ccc(NC(=S)c2c(N)nc(N3CCCCC3)[nH]c2=O)cc1 to increase its MR value.,CCOc1ccc(NC(=S)c2c(N)nc(N3CCCCC3)[nH]c2=O)cc1,108.26780000000002
+167543,Modify the molecule COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4ccccc4)C3)n[nH]2)cc1 to increase its MR value.,COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4ccccc4)C3)n[nH]2)cc1,110.48420000000003
+114348,Please modify the molecule COC(=O)c1cc([N+](=O)[O-])ccc1NCCO to decrease its MR value.,COC(=O)c1cc([N+](=O)[O-])ccc1NCCO,60.01140000000002
+199765,Please modify the molecule CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2occc2-c2ccccc2)C1 to increase its MR value.,CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2occc2-c2ccccc2)C1,85.83030000000004
+53542,Modify the molecule C[C@H](OCc1cc(F)cc(C#CCO)c1)C(F)(F)F to have a lower MR value.,C[C@H](OCc1cc(F)cc(C#CCO)c1)C(F)(F)F,60.66980000000002
+178458,Please optimize the molecule CSC[C@@H](C)NC(=O)NCC(C)(C)c1ccccc1F to have a lower MR value.,CSC[C@@H](C)NC(=O)NCC(C)(C)c1ccccc1F,83.80440000000004
+214120,Modify the molecule C[C@@H](NC(=O)[C@@](C)(N)C(F)(F)F)c1cccc(F)c1 to increase its MR value.,C[C@@H](NC(=O)[C@@](C)(N)C(F)(F)F)c1cccc(F)c1,61.60510000000002
+147471,Modify the molecule N[C@H](CC[NH+]1CCCCCCC1)c1cc(F)cc(F)c1 to increase its MR value.,N[C@H](CC[NH+]1CCCCCCC1)c1cc(F)cc(F)c1,76.55210000000004
+47785,Modify the molecule CC[C@@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)c1cccs1 to increase its MR value.,CC[C@@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)c1cccs1,97.48670000000006
+63281,Please optimize the molecule O=C(Nc1nc2cc(NC(=O)C3CC3)ccc2s1)c1ccccc1 to have a higher MR value.,O=C(Nc1nc2cc(NC(=O)C3CC3)ccc2s1)c1ccccc1,95.3689
+201201,Please modify the molecule NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)/C(=N/c2cccc(C(F)(F)F)c2)S1 to increase its MR value.,NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)/C(=N/c2cccc(C(F)(F)F)c2)S1,105.73140000000001
+129558,Please optimize the molecule C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 to have a lower MR value.,C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1,82.06370000000004
+147253,Please optimize the molecule COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 to have a lower MR value.,COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1,97.99970000000003
+241030,Modify the molecule CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Cn2cnc3ccccc32)cs1 to have a lower MR value.,CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Cn2cnc3ccccc32)cs1,113.13940000000001
+88158,Please modify the molecule O=C(COc1ccccc1C(F)(F)F)C1=NC=CC1 to decrease its MR value.,O=C(COc1ccccc1C(F)(F)F)C1=NC=CC1,63.138000000000005
+2685,Modify the molecule CCCn1/c(=N/C(C)=O)sc2cc3c(cc21)OCO3 to have a higher MR value.,CCCn1/c(=N/C(C)=O)sc2cc3c(cc21)OCO3,72.47300000000004
+68525,Optimize the molecule C[NH2+]C[C@@H](C)C(=O)NCCNC(=O)C(C)C to have a higher MR value.,C[NH2+]C[C@@H](C)C(=O)NCCNC(=O)C(C)C,62.737800000000036
+75470,Please modify the molecule Cc1cc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)no1 to decrease its MR value.,Cc1cc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)no1,76.30740000000002
+239179,Please optimize the molecule O=C1NCCN(C(=O)[C@@H]2CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 to have a higher MR value.,O=C1NCCN(C(=O)[C@@H]2CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1,82.45070000000003
+222044,Modify the molecule COc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ncccc2c1 to have a higher MR value.,COc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ncccc2c1,103.56300000000002
+200357,Please modify the molecule CC[C@H](N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)c1cnn(C)c1 to increase its MR value.,CC[C@H](N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)c1cnn(C)c1,93.72740000000005
+207119,Modify the molecule Cc1ccccc1CN(Cc1cccnc1)C(=O)CN1C(=O)NC(C)(C)C1=O to have a higher MR value.,Cc1ccccc1CN(Cc1cccnc1)C(=O)CN1C(=O)NC(C)(C)C1=O,103.99370000000005
+244021,Please modify the molecule C=CC[NH2+]Cc1ccc(O)c(OC)c1 to decrease its MR value.,C=CC[NH2+]Cc1ccc(O)c(OC)c1,55.35220000000003
+89648,Please modify the molecule FC(F)c1nnc2ccc(NCc3cn4ccsc4n3)nn12 to decrease its MR value.,FC(F)c1nnc2ccc(NCc3cn4ccsc4n3)nn12,76.13470000000002
+98151,Modify the molecule C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 to have a lower MR value.,C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(S(C)(=O)=O)cc1,84.83800000000005
+136360,Optimize the molecule CC(C)N(C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1CCCC1 to have a higher MR value.,CC(C)N(C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1CCCC1,99.07100000000007
+47789,Optimize the molecule O=C(C[NH2+]C1CCCC1)N[C@@H]1CCCCC[C@H]1C(=O)[O-] to have a lower MR value.,O=C(C[NH2+]C1CCCC1)N[C@@H]1CCCCC[C@H]1C(=O)[O-],72.56110000000004
+72355,Modify the molecule COCC[C@H](C)C(=O)Nc1cc(F)ccc1Sc1nccn1C to decrease its MR value.,COCC[C@H](C)C(=O)Nc1cc(F)ccc1Sc1nccn1C,88.01770000000005
+201453,Optimize the molecule CCOC(=O)/C(C#N)=C1/SCC(=O)N1c1ccc(OC)cc1 to have a lower MR value.,CCOC(=O)/C(C#N)=C1/SCC(=O)N1c1ccc(OC)cc1,82.21000000000004
+174942,Optimize the molecule O=C(Nc1ccncc1)c1ccc(COc2ccccc2Br)o1 to have a lower MR value.,O=C(Nc1ccncc1)c1ccc(COc2ccccc2Br)o1,89.37220000000005
+166614,Please modify the molecule C[C@@H](NS(=O)(=O)c1cccc2nonc12)c1ccc2c(c1)OCO2 to increase its MR value.,C[C@@H](NS(=O)(=O)c1cccc2nonc12)c1ccc2c(c1)OCO2,83.10550000000003
+15629,Modify the molecule Cc1cc(S(=O)(=O)NCC(=O)N(C)CCc2ccccn2)sc1C to decrease its MR value.,Cc1cc(S(=O)(=O)NCC(=O)N(C)CCc2ccccn2)sc1C,94.55950000000004
+190369,Modify the molecule CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 to increase its MR value.,CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1,95.75070000000004
+125809,Please optimize the molecule CCCN(CC(=O)NC)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 to have a lower MR value.,CCCN(CC(=O)NC)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1,81.63110000000005
+221315,Modify the molecule CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1SC to increase its MR value.,CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1SC,76.16020000000003
+233826,Modify the molecule COCCCNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C to have a lower MR value.,COCCCNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C,76.63440000000003
+192723,Please modify the molecule Cc1ccc(C(=O)CSc2cc(C#N)ccn2)cc1 to increase its MR value.,Cc1ccc(C(=O)CSc2cc(C#N)ccn2)cc1,75.18550000000003
+3819,Modify the molecule Cc1ccc2nc(COC(=O)c3cnc(OCC(F)(F)F)c(Cl)c3)cc(=O)n2c1 to have a lower MR value.,Cc1ccc2nc(COC(=O)c3cnc(OCC(F)(F)F)c(Cl)c3)cc(=O)n2c1,96.11550000000001
+40188,Optimize the molecule CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 to have a lower MR value.,CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1,56.26230000000003
+195122,Optimize the molecule CC(=O)c1c(C)cc(C)c(C[NH+](C)C[C@H]2CCS(=O)(=O)C2)c1C to have a lower MR value.,CC(=O)c1c(C)cc(C)c(C[NH+](C)C[C@H]2CCS(=O)(=O)C2)c1C,92.87600000000006
+193599,Modify the molecule c1ncn(C[C@@H]2CCC[NH+]2CC2CCCC2)n1 to have a higher MR value.,c1ncn(C[C@@H]2CCC[NH+]2CC2CCCC2)n1,65.69870000000004
+8632,Modify the molecule CN(C(=O)CC(=O)[O-])C1CCC(C)(C)CC1 to have a lower MR value.,CN(C(=O)CC(=O)[O-])C1CCC(C)(C)CC1,58.43100000000005
+153859,Please optimize the molecule CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC)cc2)c1C to have a lower MR value.,CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC)cc2)c1C,106.24890000000003
+109408,Please optimize the molecule CC(C)=CC[C@H](C(=O)[O-])c1ccccc1 to have a higher MR value.,CC(C)=CC[C@H](C(=O)[O-])c1ccccc1,58.23800000000004
+174354,Optimize the molecule COc1cccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 to have a higher MR value.,COc1cccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1,108.99650000000005
+119268,Optimize the molecule COc1ccc(CC[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)cc1 to have a lower MR value.,COc1ccc(CC[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)cc1,108.56040000000006
+180490,Please optimize the molecule Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1C to have a lower MR value.,Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1C,101.26920000000004
+138307,Optimize the molecule COc1ccc(C(=O)Nc2ccc(F)c(N)c2)cc1O to have a lower MR value.,COc1ccc(C(=O)Nc2ccc(F)c(N)c2)cc1O,73.4244
+129809,Please optimize the molecule COc1cc(CC(=O)NCC(C)C)cc(OC)c1OC to have a higher MR value.,COc1cc(CC(=O)NCC(C)C)cc(OC)c1OC,77.64970000000005
+241563,Modify the molecule COc1ccc(-n2cccn2)c(C[NH+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c1 to have a higher MR value.,COc1ccc(-n2cccn2)c(C[NH+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c1,88.45640000000003
+33140,Please optimize the molecule C[C@H](C(=O)N(C)C)[NH+]1CCC(c2ccccc2)CC1 to have a lower MR value.,C[C@H](C(=O)N(C)C)[NH+]1CCC(c2ccccc2)CC1,77.26970000000006
+171557,Modify the molecule C[NH+]1CCC[C@H]2CN(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)CC[C@@H]21 to have a higher MR value.,C[NH+]1CCC[C@H]2CN(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)CC[C@@H]21,108.41810000000005
+61767,Modify the molecule COC(=O)c1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)ccc2=O)cc1 to have a lower MR value.,COC(=O)c1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)ccc2=O)cc1,109.79220000000001
+19847,Optimize the molecule CC(C)(C)c1cc(NC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)on1 to have a higher MR value.,CC(C)(C)c1cc(NC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)on1,88.58860000000003
+73217,Modify the molecule Cc1cc(C)cc(N2CCN(C(=O)CCn3nnnc3CN3CCOCC3)CC2=O)c1 to have a higher MR value.,Cc1cc(C)cc(N2CCN(C(=O)CCn3nnnc3CN3CCOCC3)CC2=O)c1,113.37900000000005
+18857,Please modify the molecule COCCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 to increase its MR value.,COCCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1,113.80350000000004
+151601,Please optimize the molecule COC[C@](C)(CCO)[NH2+]Cc1ccon1 to have a higher MR value.,COC[C@](C)(CCO)[NH2+]Cc1ccon1,54.116200000000035
+42605,Modify the molecule CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(NC(=O)Oc2ccccc2)cc1 to decrease its MR value.,CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(NC(=O)Oc2ccccc2)cc1,126.51440000000001
+166715,Please optimize the molecule CCc1nn(C)cc1NC(=O)C(=O)NCc1c(CC)nn(C)c1CC to have a higher MR value.,CCc1nn(C)cc1NC(=O)C(=O)NCc1c(CC)nn(C)c1CC,95.02640000000005
+124009,Please modify the molecule C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(F)ccc1O to increase its MR value.,C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(F)ccc1O,73.34560000000003
+206495,Please modify the molecule Cc1noc([C@H]2CCCN2C(=O)COc2cccnc2)n1 to decrease its MR value.,Cc1noc([C@H]2CCCN2C(=O)COc2cccnc2)n1,72.45500000000004
+158437,Optimize the molecule O=C(CCc1c[nH]c2ccccc12)N[C@@H](CO)C(=O)[O-] to have a lower MR value.,O=C(CCc1c[nH]c2ccccc12)N[C@@H](CO)C(=O)[O-],70.64320000000001
+79442,Please modify the molecule COc1ccc(C2(C(=O)OCC3CC3)CCCC2)cc1 to increase its MR value.,COc1ccc(C2(C(=O)OCC3CC3)CCCC2)cc1,76.82300000000005
+55232,Modify the molecule C[C@H](Oc1ccccc1)C(=O)Nc1c(C(=O)N2CC[NH+](C)CC2)oc2ccccc12 to decrease its MR value.,C[C@H](Oc1ccccc1)C(=O)Nc1c(C(=O)N2CC[NH+](C)CC2)oc2ccccc12,113.89990000000003
+162282,Please modify the molecule O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]2CCCC[C@@H]21 to increase its MR value.,O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]2CCCC[C@@H]21,88.76460000000003
+70949,Optimize the molecule Cc1ccsc1C[NH+]1CCC(C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 to have a lower MR value.,Cc1ccsc1C[NH+]1CCC(C(=O)N2C[C@H](C)O[C@H](C)C2)CC1,92.76970000000006
+18277,Modify the molecule CN1CCO[C@@H](C[NH2+]Cc2csc(-c3ccccc3F)n2)C1 to increase its MR value.,CN1CCO[C@@H](C[NH2+]Cc2csc(-c3ccccc3F)n2)C1,85.24140000000004
+168604,Please modify the molecule C[C@H](Nc1ccc2c(c1)CCO2)c1nc(C(C)(C)C)no1 to increase its MR value.,C[C@H](Nc1ccc2c(c1)CCO2)c1nc(C(C)(C)C)no1,80.67670000000004
+99985,Please modify the molecule CNC(=O)/C(C#N)=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1-c1ccccc1 to increase its MR value.,CNC(=O)/C(C#N)=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1-c1ccccc1,102.2207
+69306,Modify the molecule O=C(c1cccnc1N1CCC(OC[C@H]2CCCO2)CC1)N1CCCCC1 to increase its MR value.,O=C(c1cccnc1N1CCC(OC[C@H]2CCCO2)CC1)N1CCCCC1,104.15250000000007
+220157,Modify the molecule Cc1nc(C)n(-c2ccc(C(=O)N3C[C@H]4[C@@H](C3)C4(C)C)cc2)n1 to decrease its MR value.,Cc1nc(C)n(-c2ccc(C(=O)N3C[C@H]4[C@@H](C3)C4(C)C)cc2)n1,87.49750000000006
+136285,Please optimize the molecule C[C@H](Cc1cc(C(=O)N2CCOc3ccccc32)on1)c1ccccc1 to have a higher MR value.,C[C@H](Cc1cc(C(=O)N2CCOc3ccccc32)on1)c1ccccc1,98.67750000000002
+3487,Please modify the molecule CN(C)C(=O)C[C@H](C[NH3+])N1CCOCC1(C)C to decrease its MR value.,CN(C)C(=O)C[C@H](C[NH3+])N1CCOCC1(C)C,66.45810000000004
+217420,Please modify the molecule COc1ccc(/C(C)=N/N2CCN(Cc3ccccc3)CC2)cc1OC to decrease its MR value.,COc1ccc(/C(C)=N/N2CCN(Cc3ccccc3)CC2)cc1OC,105.04900000000006
+246944,Please optimize the molecule CCCCNC(=O)Cc1cc(=O)oc2cc(C)c(C)cc12 to have a higher MR value.,CCCCNC(=O)Cc1cc(=O)oc2cc(C)c(C)cc12,83.57970000000005
+112891,Please optimize the molecule CCOc1ccc(Br)cc1S(=O)(=O)n1c(C)nc2ccccc21 to have a higher MR value.,CCOc1ccc(Br)cc1S(=O)(=O)n1c(C)nc2ccccc21,92.36480000000003
+146964,Please optimize the molecule Cc1sc(NC(=O)CCc2ccccc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 to have a higher MR value.,Cc1sc(NC(=O)CCc2ccccc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2,114.58470000000004
+239627,Modify the molecule CCCN[C@@H](c1ncccn1)c1ccc(Cl)cc1F to have a lower MR value.,CCCN[C@@H](c1ncccn1)c1ccc(Cl)cc1F,73.57870000000003
+142752,Please modify the molecule COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2[nH]cnc2c1 to decrease its MR value.,COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2[nH]cnc2c1,89.46790000000003
+94293,Modify the molecule CCN(C[C@@H]1CCCO1)c1c(F)c(F)nc(F)c1F to have a higher MR value.,CCN(C[C@@H]1CCCO1)c1c(F)c(F)nc(F)c1F,60.930000000000014
+82333,Please modify the molecule CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccccn1 to increase its MR value.,CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccccn1,109.08050000000004
+141773,Optimize the molecule CC[C@H](C)N1C(N)=[NH+]C[C@@]12C[NH+]1CCC2CC1 to have a higher MR value.,CC[C@H](C)N1C(N)=[NH+]C[C@@]12C[NH+]1CCC2CC1,67.63480000000004
+233445,Please modify the molecule CSC[C@@H](C)NC(=O)N1CCC[C@H](NC(=O)C(C)C)C1 to increase its MR value.,CSC[C@@H](C)NC(=O)N1CCC[C@H](NC(=O)C(C)C)C1,83.95140000000005
+36309,Please optimize the molecule Cc1noc(C)c1CCCNC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 to have a lower MR value.,Cc1noc(C)c1CCCNC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12,91.66540000000006
+138034,Modify the molecule COc1cc(C)ccc1OS(=O)(=O)c1cccc(Cl)c1 to decrease its MR value.,COc1cc(C)ccc1OS(=O)(=O)c1cccc(Cl)c1,76.99680000000004
+171559,Please optimize the molecule Cc1cc(F)cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 to have a higher MR value.,Cc1cc(F)cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1,77.38730000000004
+34336,Optimize the molecule CC(C)NC(=O)c1cc([C@H]2CCN(Cc3ccnc4ccccc34)C2)nc2ccccc12 to have a higher MR value.,CC(C)NC(=O)c1cc([C@H]2CCN(Cc3ccnc4ccccc34)C2)nc2ccccc12,128.72320000000002
+85817,Please modify the molecule Cc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C)o1 to decrease its MR value.,Cc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C)o1,92.06140000000003
+15817,Modify the molecule Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 to have a higher MR value.,Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1,103.67970000000005
+204610,Modify the molecule Cc1cc(OCC(=O)NCc2sccc2C)nnc1C to have a higher MR value.,Cc1cc(OCC(=O)NCc2sccc2C)nnc1C,77.90370000000003
+20949,Please modify the molecule CC(C)[C@H]1C[NH+]2CCC[C@@H]2CN1[C@@H]1CC[NH+](C2CC2)C1 to decrease its MR value.,CC(C)[C@H]1C[NH+]2CCC[C@@H]2CN1[C@@H]1CC[NH+](C2CC2)C1,81.17440000000006
+65187,Please optimize the molecule CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](C)c2ccccc2)c1 to have a lower MR value.,CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](C)c2ccccc2)c1,111.03340000000001
+35437,Please optimize the molecule Cc1csc([C@@H]2CCCN(C(=O)COC3CCCC3)C2)n1 to have a higher MR value.,Cc1csc([C@@H]2CCCN(C(=O)COC3CCCC3)C2)n1,83.61400000000005
+228657,Modify the molecule COc1ccc(C)cc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 to increase its MR value.,COc1ccc(C)cc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21,114.56470000000003
+157263,Modify the molecule CCC(=O)N1CSC[C@@H]1C(=O)OCc1ccc2c(c1)OCO2 to decrease its MR value.,CCC(=O)N1CSC[C@@H]1C(=O)OCc1ccc2c(c1)OCO2,80.61100000000005
+41563,Modify the molecule CCCn1nnnc1CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C to increase its MR value.,CCCn1nnnc1CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C,84.68380000000005
+148534,Modify the molecule O=C1/C(=C/C2=NC=CC2)c2ccccc2N1c1ccccc1 to have a lower MR value.,O=C1/C(=C/C2=NC=CC2)c2ccccc2N1c1ccccc1,89.19900000000003
+48769,Please modify the molecule COc1ccc([C@@H](O)C2(C#N)CCC(C(C)C)CC2)cc1 to increase its MR value.,COc1ccc([C@@H](O)C2(C#N)CCC(C(C)C)CC2)cc1,82.79580000000006
+938,Modify the molecule CCNc1ncc(COCC2CCCCC2)s1 to have a lower MR value.,CCNc1ncc(COCC2CCCCC2)s1,72.50870000000005
+284,Please optimize the molecule CC(C)OC(=O)CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 to have a lower MR value.,CC(C)OC(=O)CCNC(=O)c1cnn(-c2ccc(F)cc2)n1,79.49520000000003
+18957,Please modify the molecule Cc1cc(C(=O)CSc2nncs2)c(C)n1[C@H](C)c1ccccc1 to increase its MR value.,Cc1cc(C(=O)CSc2nncs2)c(C)n1[C@H](C)c1ccccc1,99.12450000000001
+13119,Please optimize the molecule CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1 to have a higher MR value.,CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1,118.5115
+103706,Please modify the molecule COc1c(Br)cccc1C[NH2+]Cc1ccco1 to increase its MR value.,COc1c(Br)cccc1C[NH2+]Cc1ccco1,68.73540000000003
+20862,Please modify the molecule CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc(SCC#N)c1 to increase its MR value.,CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc(SCC#N)c1,100.65050000000004
+50549,Optimize the molecule CC(=O)N1CCNC[C@@H]1c1ccc(C(=O)[O-])cc1 to have a higher MR value.,CC(=O)N1CCNC[C@@H]1c1ccc(C(=O)[O-])cc1,63.77020000000003
+105645,Optimize the molecule O=C(Nc1ccccc1N1CCCC1=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 to have a higher MR value.,O=C(Nc1ccccc1N1CCCC1=O)c1cn(Cc2ccccc2)nc1-c1cccnc1,126.9842
+183701,Please optimize the molecule CC(=O)Nc1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)c1 to have a lower MR value.,CC(=O)Nc1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)c1,93.74760000000003
+143465,Modify the molecule CCN(CC)C(=O)CCC(=O)N[C@@H](C)c1cccc2ccccc12 to have a lower MR value.,CCN(CC)C(=O)CCC(=O)N[C@@H](C)c1cccc2ccccc12,97.66770000000007
+217689,Please modify the molecule O=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1ccc2c(c1)OCCO2 to decrease its MR value.,O=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1ccc2c(c1)OCCO2,119.41770000000002
+171974,Please optimize the molecule Cc1cc(C2=NN=C([N-]c3ccc(S(=O)(=O)N4CCOCC4)cc3)SC2)c(C)n1C to have a higher MR value.,Cc1cc(C2=NN=C([N-]c3ccc(S(=O)(=O)N4CCOCC4)cc3)SC2)c(C)n1C,120.35580000000004
+112663,Please modify the molecule CN(CCNc1ncc(-c2cccc(F)c2)c(-c2[nH+]ccn2C)n1)c1ccccc1 to increase its MR value.,CN(CCNc1ncc(-c2cccc(F)c2)c(-c2[nH+]ccn2C)n1)c1ccccc1,116.59040000000002
+110023,Modify the molecule CCNC(=O)c1ccccc1NC(=O)C1=NO[C@H](c2ccccc2)C1 to decrease its MR value.,CCNC(=O)c1ccccc1NC(=O)C1=NO[C@H](c2ccccc2)C1,95.39890000000003
+29141,Modify the molecule Cn1c(=O)c2sccc2n2c(C[NH+](C)CCCCc3ccccc3)nnc12 to decrease its MR value.,Cn1c(=O)c2sccc2n2c(C[NH+](C)CCCCc3ccccc3)nnc12,108.44870000000003
+114491,Optimize the molecule O=C(CC[C@H]1CCCO1)N[C@H]1CCCOc2ccccc21 to have a lower MR value.,O=C(CC[C@H]1CCCO1)N[C@H]1CCCOc2ccccc21,80.26270000000005
+192417,Please modify the molecule COc1cc([C@H]2CC(=O)N=C3C2=C([O-])OC3(C)C)ccc1O to increase its MR value.,COc1cc([C@H]2CC(=O)N=C3C2=C([O-])OC3(C)C)ccc1O,76.64880000000002
+195479,Please modify the molecule CC[C@H](CCO)NC(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 to increase its MR value.,CC[C@H](CCO)NC(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1,87.93600000000004
+117459,Please optimize the molecule C#CCCNC(=O)c1cncc(Br)c1 to have a lower MR value.,C#CCCNC(=O)c1cncc(Br)c1,57.72020000000002
+241976,Modify the molecule C[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O to decrease its MR value.,C[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O,58.74780000000003
+62575,Please modify the molecule COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@]12C(=O)Nc1ccccc12 to decrease its MR value.,COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@]12C(=O)Nc1ccccc12,106.93110000000001
+101009,Please modify the molecule Nc1cccnc1-n1cnc2ccccc21 to decrease its MR value.,Nc1cccnc1-n1cnc2ccccc21,63.27740000000003
+188129,Modify the molecule O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)N2CCCC[C@@H]12 to increase its MR value.,O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)N2CCCC[C@@H]12,66.67270000000003
+159236,Modify the molecule CSc1cccc(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 to decrease its MR value.,CSc1cccc(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1,101.68570000000003
+182795,Please modify the molecule O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2[nH]cnc2c1 to decrease its MR value.,O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2[nH]cnc2c1,78.70790000000001
+118237,Please modify the molecule Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 to increase its MR value.,Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1,112.86220000000002
+158169,Modify the molecule Cc1cc(N)nc(S(C)(=O)=O)n1 to increase its MR value.,Cc1cc(N)nc(S(C)(=O)=O)n1,44.29120000000001
+241554,Modify the molecule C[C@@H](CS(C)(=O)=O)N(C)Cc1nnnn1-c1ccccc1 to decrease its MR value.,C[C@@H](CS(C)(=O)=O)N(C)Cc1nnnn1-c1ccccc1,79.79380000000003
+113018,Optimize the molecule CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C)C1 to have a lower MR value.,CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C)C1,97.13920000000006
+187272,Please optimize the molecule CN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc2c(c1)COC2 to have a lower MR value.,CN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc2c(c1)COC2,94.18070000000002
+246248,Optimize the molecule Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1Oc1cccnc1 to have a higher MR value.,Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1Oc1cccnc1,95.88680000000005
+175035,Please optimize the molecule Cc1ccc(O)c(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 to have a higher MR value.,Cc1ccc(O)c(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1,73.14780000000003
+3265,Please optimize the molecule COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)s2)c1 to have a lower MR value.,COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)s2)c1,77.64600000000003
+96645,Modify the molecule Cc1nnsc1Sc1ccccc1C(=O)[O-] to decrease its MR value.,Cc1nnsc1Sc1ccccc1C(=O)[O-],59.54150000000002
+139866,Modify the molecule CCn1cc(/C=C2/C(=O)N(c3ccc(OC)cc3OC)C(=S)N=C2[O-])c2ccccc21 to decrease its MR value.,CCn1cc(/C=C2/C(=O)N(c3ccc(OC)cc3OC)C(=S)N=C2[O-])c2ccccc21,122.65400000000002
+114319,Please optimize the molecule CC(C)[NH2+]CCCN(C)C[C@H]1CCC[NH+]1C to have a lower MR value.,CC(C)[NH2+]CCCN(C)C[C@H]1CCC[NH+]1C,68.81810000000006
+155846,Optimize the molecule COc1ccc2c(CC(=O)N(C)[C@H](C)c3ccc(F)cc3)coc2c1 to have a lower MR value.,COc1ccc2c(CC(=O)N(C)[C@H](C)c3ccc(F)cc3)coc2c1,94.05500000000004
+169250,Modify the molecule Nc1ccc2c(c1)CC[C@H]2[NH2+]CCCOC[C@@H]1CCCO1 to have a lower MR value.,Nc1ccc2c(c1)CC[C@H]2[NH2+]CCCOC[C@@H]1CCCO1,83.11880000000004
+44580,Please modify the molecule CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 to increase its MR value.,CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1,69.17720000000004
+48186,Modify the molecule O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(OC(F)F)c1 to decrease its MR value.,O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(OC(F)F)c1,99.74140000000001
+172593,Modify the molecule O=C(c1ccc(Cn2c(=O)c(=O)n(Cc3cccc(Cl)c3)c3cccnc32)cc1)N1CCOCC1 to have a higher MR value.,O=C(c1ccc(Cn2c(=O)c(=O)n(Cc3cccc(Cl)c3)c3cccnc32)cc1)N1CCOCC1,133.08349999999996
+8631,Please modify the molecule C[C@@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)[NH+](C)C to decrease its MR value.,C[C@@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)[NH+](C)C,88.89820000000005
+159652,Modify the molecule C[C@H]1CCC[C@]1(C[NH3+])c1ccc(F)cc1Cl to have a lower MR value.,C[C@H]1CCC[C@]1(C[NH3+])c1ccc(F)cc1Cl,63.858100000000036
+53864,Modify the molecule Cc1[nH]c2ccc(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)cc2c1C to increase its MR value.,Cc1[nH]c2ccc(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)cc2c1C,101.06520000000005
+9299,Modify the molecule C1=CC[C@H](C[NH+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 to increase its MR value.,C1=CC[C@H](C[NH+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1,74.94940000000005
+171321,Optimize the molecule CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 to have a higher MR value.,CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1,129.1994
+90523,Modify the molecule C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(c2ccnn2C)CC1 to increase its MR value.,C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(c2ccnn2C)CC1,99.51940000000006
+102918,Modify the molecule C1=CC[C@H](C[NH+]2CCC[C@@H](Cn3ccnn3)C2)CC1 to increase its MR value.,C1=CC[C@H](C[NH+]2CCC[C@@H](Cn3ccnn3)C2)CC1,74.79070000000004
+84768,Please optimize the molecule CC(=O)N1CCN(C(=O)CC[NH2+][C@@H]2CCCOc3ccc(C)cc32)CC1 to have a higher MR value.,CC(=O)N1CCN(C(=O)CC[NH2+][C@@H]2CCCOc3ccc(C)cc32)CC1,98.89240000000007
+41187,Please optimize the molecule Cc1cccc(C(=O)NC[C@H](O)c2ccc(F)cc2)c1O to have a lower MR value.,Cc1cccc(C(=O)NC[C@H](O)c2ccc(F)cc2)c1O,76.53680000000001
+24026,Modify the molecule Cc1c(F)cccc1NC(=O)N1CCC([C@@H](C)O)CC1 to increase its MR value.,Cc1c(F)cccc1NC(=O)N1CCC([C@@H](C)O)CC1,76.13350000000004
+198549,Modify the molecule Cc1ccc(-c2nnco2)cc1NC(=O)/C=C/c1ccc(I)o1 to decrease its MR value.,Cc1ccc(-c2nnco2)cc1NC(=O)/C=C/c1ccc(I)o1,93.55970000000002
+237405,Please modify the molecule CCn1nc(CO)c2c1CCN([C@H]1C[NH+](Cc3ccc(C)s3)C[C@@H]1O)C2 to increase its MR value.,CCn1nc(CO)c2c1CCN([C@H]1C[NH+](Cc3ccc(C)s3)C[C@@H]1O)C2,101.18930000000005
+162209,Please optimize the molecule O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccccc1C(F)(F)F to have a lower MR value.,O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccccc1C(F)(F)F,96.64170000000004
+159170,Modify the molecule C[NH2+][C@@H]1[C@H](Sc2nc(C)cc(C)n2)CCC1(C)C to have a higher MR value.,C[NH2+][C@@H]1[C@H](Sc2nc(C)cc(C)n2)CCC1(C)C,75.80340000000004
+182070,Modify the molecule CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1 to decrease its MR value.,CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1,107.20139999999999
+182496,Modify the molecule C[C@H]1Cc2ccccc2N(CCCS)C1 to have a higher MR value.,C[C@H]1Cc2ccccc2N(CCCS)C1,69.99300000000004
+16806,Please optimize the molecule C[C@@H]1CCC[C@](O)([C@H](F)C(=O)[O-])C1 to have a lower MR value.,C[C@@H]1CCC[C@](O)([C@H](F)C(=O)[O-])C1,42.48480000000002
+116095,Modify the molecule Cc1csc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)n1 to decrease its MR value.,Cc1csc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)n1,71.37420000000002
+72980,Please optimize the molecule C[NH+](C)[C@@H]1CC[C@@H](NC(=O)COc2ccccc2C=O)C1 to have a higher MR value.,C[NH+](C)[C@@H]1CC[C@@H](NC(=O)COc2ccccc2C=O)C1,79.70490000000004
+6713,Please modify the molecule C#CCN(C(=O)N[C@@H](C)c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 to increase its MR value.,C#CCN(C(=O)N[C@@H](C)c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1,85.90250000000003
+226988,Modify the molecule Cc1ccc(O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 to decrease its MR value.,Cc1ccc(O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1,79.76740000000004
+109353,Modify the molecule Cc1cc(NC(=O)NCc2cn(C)nc2C(F)(F)F)c2ncccc2c1 to have a lower MR value.,Cc1cc(NC(=O)NCc2cn(C)nc2C(F)(F)F)c2ncccc2c1,90.5484
+61905,Modify the molecule Cc1ccc(C(=O)NNC(=O)NC[C@H]2C[C@@]23CCc2ccccc23)s1 to have a lower MR value.,Cc1ccc(C(=O)NNC(=O)NC[C@H]2C[C@@]23CCc2ccccc23)s1,97.60460000000003
+153847,Modify the molecule O=C(CCCc1ccc(Cl)cc1)NCc1ccccc1CO to have a higher MR value.,O=C(CCCc1ccc(Cl)cc1)NCc1ccccc1CO,88.60150000000006
+11612,Modify the molecule CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cncc(C)c1 to decrease its MR value.,CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cncc(C)c1,81.95350000000005
+179072,Modify the molecule CC[C@H](C)CN1CC[NH2+]C[C@@H]1C#N to have a lower MR value.,CC[C@H](C)CN1CC[NH2+]C[C@@H]1C#N,52.088400000000036
+144554,Optimize the molecule CNC(=O)Cc1ccccc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 to have a higher MR value.,CNC(=O)Cc1ccccc1NC(=O)N1C[C@H](C)C[C@@H](C)C1,87.74940000000005
+189108,Modify the molecule Cc1nc(NC(=O)Cc2ccccc2)sc1Cc1ccccc1 to increase its MR value.,Cc1nc(NC(=O)Cc2ccccc2)sc1Cc1ccccc1,94.87470000000003
+161329,Modify the molecule CC[C@@H](C)/N=C/C1C(=O)NC(=O)N(c2ccccc2C)C1=O to increase its MR value.,CC[C@@H](C)/N=C/C1C(=O)NC(=O)N(c2ccccc2C)C1=O,83.93870000000004
+165691,Please optimize the molecule CCOC(=O)C1=C(C(F)(F)F)N=C2[N-]C=NN2[C@@H]1c1cc(OC)ccc1OC to have a lower MR value.,CCOC(=O)C1=C(C(F)(F)F)N=C2[N-]C=NN2[C@@H]1c1cc(OC)ccc1OC,93.12600000000002
+51222,Optimize the molecule COCCn1nc(C)c(NC(=O)N[C@H](c2nc(C)no2)C(C)C)c1C to have a higher MR value.,COCCn1nc(C)c(NC(=O)N[C@H](c2nc(C)no2)C(C)C)c1C,92.34540000000004
+82340,Optimize the molecule Cc1cccc(OCCCC(=O)N(C)C)c1 to have a lower MR value.,Cc1cccc(OCCCC(=O)N(C)C)c1,64.60200000000003
+231145,Please modify the molecule CCS(=O)(=O)CC(=O)Nc1cc(C)n[nH]1 to increase its MR value.,CCS(=O)(=O)CC(=O)Nc1cc(C)n[nH]1,56.28220000000002
+224293,Please modify the molecule CC(C)CCC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 to decrease its MR value.,CC(C)CCC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1,74.81270000000005
+172050,Optimize the molecule Cc1cc(CO)ccc1SC1COC1 to have a lower MR value.,Cc1cc(CO)ccc1SC1COC1,57.56580000000004
+94390,Modify the molecule CCCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(C)s1 to increase its MR value.,CCCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(C)s1,96.49740000000004
+7030,Please modify the molecule CCOc1cccc(NC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 to increase its MR value.,CCOc1cccc(NC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1,107.33850000000002
+234362,Modify the molecule c1cc(C[NH+]2CCC[C@H]2c2cccc3c2OCCO3)cc(-n2cccn2)c1 to have a lower MR value.,c1cc(C[NH+]2CCC[C@H]2c2cccc3c2OCCO3)cc(-n2cccn2)c1,102.50470000000003
+120170,Optimize the molecule c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](Cc3ccncc3)CC2)cc1 to have a lower MR value.,c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](Cc3ccncc3)CC2)cc1,121.85670000000002
+28394,Modify the molecule C[NH2+][C@H](C)c1ccc(N2CCC(C)(C)C2)cc1 to have a lower MR value.,C[NH2+][C@H](C)c1ccc(N2CCC(C)(C)C2)cc1,73.31740000000005
+184258,Please optimize the molecule COc1ccc(N2C(=O)C[C@H](SCCO)C2=O)cc1 to have a higher MR value.,COc1ccc(N2C(=O)C[C@H](SCCO)C2=O)cc1,73.43580000000003
+210360,Please optimize the molecule Cc1cc(-c2ccc(O)cc2O)nc2ccccc12 to have a lower MR value.,Cc1cc(-c2ccc(O)cc2O)nc2ccccc12,75.24560000000002
+220896,Please modify the molecule COc1ccc(Oc2ncccc2NC(=O)NC[C@H]2CCCO2)cc1 to increase its MR value.,COc1ccc(Oc2ncccc2NC(=O)NC[C@H]2CCCO2)cc1,93.30040000000004
+177171,Please modify the molecule N=C1NC(=O)/C(=C/C2=Cc3ccccc3OC2)S1 to increase its MR value.,N=C1NC(=O)/C(=C/C2=Cc3ccccc3OC2)S1,71.45740000000002
+152752,Optimize the molecule CCc1cc(CNC(=O)C(=O)Nc2ccc(C)nc2Cl)on1 to have a lower MR value.,CCc1cc(CNC(=O)C(=O)Nc2ccc(C)nc2Cl)on1,80.34140000000002
+66508,Modify the molecule COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)CCCO3)C1 to decrease its MR value.,COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)CCCO3)C1,89.32850000000005
+17404,Please optimize the molecule CCc1ccccc1NC(=O)CSCC(=O)N1CCOCC1 to have a lower MR value.,CCc1ccccc1NC(=O)CSCC(=O)N1CCOCC1,89.17370000000005
+172995,Please optimize the molecule Cc1ncc(C[NH2+]C(C)C)n1C[C@H]1Cc2ccccc2S1 to have a lower MR value.,Cc1ncc(C[NH2+]C(C)C)n1C[C@H]1Cc2ccccc2S1,87.52040000000005
+6511,Modify the molecule CC(C)N1CCC[C@@]2(CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)C1=O to have a higher MR value.,CC(C)N1CCC[C@@]2(CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)C1=O,100.85520000000005
+72368,Modify the molecule COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(Cl)cc1 to have a higher MR value.,COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(Cl)cc1,82.40570000000004
+156045,Modify the molecule Cc1cnn(C[C@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)c1 to increase its MR value.,Cc1cnn(C[C@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)c1,93.93820000000004
+200927,Please modify the molecule Cc1nc(-c2cccc(C(=O)NCCNC(=O)C3CC3)c2)n[nH]1 to increase its MR value.,Cc1nc(-c2cccc(C(=O)NCCNC(=O)C3CC3)c2)n[nH]1,84.62260000000003
+12990,Please modify the molecule Cc1cc(C)nc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1 to increase its MR value.,Cc1cc(C)nc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1,96.91420000000002
+19801,Modify the molecule COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)cc1I to decrease its MR value.,COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)cc1I,102.85870000000003
+178332,Modify the molecule O=C(Cc1ccccc1Br)C1([NH+]2CCCCC2)CCCC1 to have a lower MR value.,O=C(Cc1ccccc1Br)C1([NH+]2CCCCC2)CCCC1,88.59970000000006
+61677,Please modify the molecule CC(C)N(C(=O)C[NH+](C(C)C)C1CCOCC1)c1ccccc1 to decrease its MR value.,CC(C)N(C(=O)C[NH+](C(C)C)C1CCOCC1)c1ccccc1,93.87070000000007
+83479,Please optimize the molecule COc1ccc2oc(C)c(C(=O)NCCc3nc4ccc(F)cc4[nH]3)c2c1 to have a higher MR value.,COc1ccc2oc(C)c(C(=O)NCCc3nc4ccc(F)cc4[nH]3)c2c1,99.59190000000002
+17057,Please modify the molecule C/C(=C/C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccccc1Cl to decrease its MR value.,C/C(=C/C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccccc1Cl,94.66700000000003
+161461,Modify the molecule Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)c1C to increase its MR value.,Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)c1C,115.96650000000004
+231222,Please modify the molecule Cc1cc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(C)c1 to increase its MR value.,Cc1cc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(C)c1,117.60770000000007
+67000,Optimize the molecule COc1ccccc1C(=O)N1CCN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)CC1 to have a lower MR value.,COc1ccccc1C(=O)N1CCN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)CC1,130.8045
+157844,Optimize the molecule CC(=O)c1c[nH]c(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 to have a lower MR value.,CC(=O)c1c[nH]c(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1,92.61410000000002
+122276,Optimize the molecule CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCNC(=O)c1ccc(F)cc1Cl to have a lower MR value.,CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCNC(=O)c1ccc(F)cc1Cl,108.39820000000002
+234642,Please modify the molecule N#C[C@H]1CCO[C@H]1C1CCCCC1 to decrease its MR value.,N#C[C@H]1CCO[C@H]1C1CCCCC1,50.03500000000004
+58112,Modify the molecule COc1ccc(CC[C@@H](O)c2ncc(Cl)cc2Cl)cc1 to have a higher MR value.,COc1ccc(CC[C@@H](O)c2ncc(Cl)cc2Cl)cc1,80.53180000000003
+134221,Modify the molecule Cc1nn(C)c2c1[nH]c(=S)n2[C@@H]1CC[C@H](C)[C@H](C)C1 to have a lower MR value.,Cc1nn(C)c2c1[nH]c(=S)n2[C@@H]1CC[C@H](C)[C@H](C)C1,79.84170000000003
+100626,Please modify the molecule COc1cc(OC)c(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1Cl to decrease its MR value.,COc1cc(OC)c(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1Cl,85.62840000000004
+228940,Modify the molecule CCCc1cc(=O)[nH]c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n1 to decrease its MR value.,CCCc1cc(=O)[nH]c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n1,110.38170000000004
+164712,Optimize the molecule Cc1ccc(NC(=O)[C@@H]2N=NC3=C2CCc2ccccc23)cc1C to have a lower MR value.,Cc1ccc(NC(=O)[C@@H]2N=NC3=C2CCc2ccccc23)cc1C,94.87270000000004
+89053,Modify the molecule C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C(=O)CC(F)(F)F)CC1 to have a higher MR value.,C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C(=O)CC(F)(F)F)CC1,86.78540000000002
+202998,Please optimize the molecule CN(CCOc1ccc(F)cc1Cl)[C@@H]1CCC[C@@H]1S(C)(=O)=O to have a lower MR value.,CN(CCOc1ccc(F)cc1Cl)[C@@H]1CCC[C@@H]1S(C)(=O)=O,85.80580000000006
+234041,Please modify the molecule CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1cccc(C)c1Cl to increase its MR value.,CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1cccc(C)c1Cl,96.45510000000004
+160521,Optimize the molecule C[C@H]1CCC[C@@H](C)C1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 to have a higher MR value.,C[C@H]1CCC[C@@H](C)C1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1,99.13720000000006
+202785,Please modify the molecule CN(CCn1cnc2ccsc2c1=O)CC[NH+]1CCCC1 to increase its MR value.,CN(CCn1cnc2ccsc2c1=O)CC[NH+]1CCCC1,86.17470000000004
+23558,Modify the molecule COc1ccc(N2C[C@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)cc1 to decrease its MR value.,COc1ccc(N2C[C@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)cc1,100.13900000000002
+158984,Modify the molecule C[C@@H]1OCC[C@H]1C(=O)N1CCOc2ccc(F)cc21 to have a lower MR value.,C[C@@H]1OCC[C@H]1C(=O)N1CCOc2ccc(F)cc21,67.76900000000003
+98141,Modify the molecule CC[C@]1(C)NC(=O)CCN(C[C@]2(C)CCCO2)C1=O to decrease its MR value.,CC[C@]1(C)NC(=O)CCN(C[C@]2(C)CCCO2)C1=O,71.62670000000004
+248236,Modify the molecule CCNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CC(C)C to have a lower MR value.,CCNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CC(C)C,108.38540000000005
+196362,Modify the molecule CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2Cl)c1 to decrease its MR value.,CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2Cl)c1,111.22919999999999
+139167,Please modify the molecule Cc1cc(CNc2nc(-c3ccco3)nc3c2CC[NH+](C)CC3)n(C)n1 to decrease its MR value.,Cc1cc(CNc2nc(-c3ccco3)nc3c2CC[NH+](C)CC3)n(C)n1,99.03440000000005
+105256,Modify the molecule N#Cc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCCCC2)cc1 to have a higher MR value.,N#Cc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCCCC2)cc1,103.95940000000003
+205772,Optimize the molecule COc1cc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2Cc2ccco2)ccc1O to have a higher MR value.,COc1cc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2Cc2ccco2)ccc1O,120.78030000000001
+105047,Please optimize the molecule Cc1ccc(-c2nc(CCNC(=O)N3CCCC[C@H]3C)co2)cc1 to have a higher MR value.,Cc1ccc(-c2nc(CCNC(=O)N3CCCC[C@H]3C)co2)cc1,93.79770000000005
+216128,Please optimize the molecule O=C([C@H]1NCCc2[nH]c[nH+]c21)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 to have a higher MR value.,O=C([C@H]1NCCc2[nH]c[nH+]c21)N1Cc2cnn(Cc3ccc(F)cc3)c2C1,93.77910000000003
+81824,Optimize the molecule CCc1nncn1CCNC(=O)c1ccc(Cl)nc1Cl to have a lower MR value.,CCc1nncn1CCNC(=O)c1ccc(Cl)nc1Cl,75.99020000000003
+203105,Please modify the molecule CC[C@@H](CS)COc1ccc(F)cc1F to decrease its MR value.,CC[C@@H](CS)COc1ccc(F)cc1F,59.48700000000002
+59501,Modify the molecule NS(=O)(=O)CCN1CCN(Cc2cc(O)ccc2Br)CC1 to decrease its MR value.,NS(=O)(=O)CCN1CCN(Cc2cc(O)ccc2Br)CC1,85.49800000000003
+39503,Modify the molecule C[C@@H]1CC([C@@H](O)[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@H](C)C1 to have a lower MR value.,C[C@@H]1CC([C@@H](O)[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@H](C)C1,84.84950000000008
+14327,Modify the molecule Fc1cccc(F)c1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 to have a higher MR value.,Fc1cccc(F)c1CN1CCN(c2cccc(C(F)(F)F)c2)CC1,85.29200000000003
+79161,Modify the molecule O=C(CN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1)Nc1ccc(F)cc1 to decrease its MR value.,O=C(CN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1)Nc1ccc(F)cc1,117.18070000000004
+65614,Please modify the molecule C[C@H](CNC(=O)Cn1cccc1C(=O)[O-])[NH+](C)C to decrease its MR value.,C[C@H](CNC(=O)Cn1cccc1C(=O)[O-])[NH+](C)C,64.04490000000003
+93002,Please optimize the molecule Cc1ccnc(N2CCCC[C@H]2C(=O)[O-])n1 to have a higher MR value.,Cc1ccnc(N2CCCC[C@H]2C(=O)[O-])n1,56.761000000000024
+9784,Optimize the molecule Cc1ccc(CNC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)o1 to have a higher MR value.,Cc1ccc(CNC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)o1,112.38289999999999
+111203,Optimize the molecule O=C(N[C@@H]1CCS(=O)(=O)C1)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 to have a higher MR value.,O=C(N[C@@H]1CCS(=O)(=O)C1)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1,113.18550000000006
+246931,Please optimize the molecule C[C@@H](OC(=O)C=C1CCSCC1)c1ccc([N+](=O)[O-])cc1 to have a higher MR value.,C[C@@H](OC(=O)C=C1CCSCC1)c1ccc([N+](=O)[O-])cc1,82.24540000000003
+170833,Modify the molecule Cc1ccc(CC(=O)NCCn2ncc(-c3ccc(F)cc3)c2-c2nccn2C)cc1 to have a higher MR value.,Cc1ccc(CC(=O)NCCn2ncc(-c3ccc(F)cc3)c2-c2nccn2C)cc1,117.71570000000001
+175081,Modify the molecule O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 to have a lower MR value.,O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1,113.86160000000004
+172777,Modify the molecule Cc1nc(CNC(=O)[C@@H]2CCCc3ccccc32)sc1C to have a higher MR value.,Cc1nc(CNC(=O)[C@@H]2CCCc3ccccc32)sc1C,85.55570000000004
+92641,Optimize the molecule CCc1ccc(N/C(=N/c2cccc(OC)c2)[n+]2sc(C)cc2N)cc1 to have a lower MR value.,CCc1ccc(N/C(=N/c2cccc(OC)c2)[n+]2sc(C)cc2N)cc1,108.59310000000004
+60274,Modify the molecule CC(=O)c1cnc2nc(-c3ccncc3)nn2c1/C=C/N(C)C to have a higher MR value.,CC(=O)c1cnc2nc(-c3ccncc3)nn2c1/C=C/N(C)C,86.73850000000003
+147951,Modify the molecule Cc1ccc(C(=O)c2c(F)cc(Br)cc2F)cc1 to have a higher MR value.,Cc1ccc(C(=O)c2c(F)cc(Br)cc2F)cc1,68.66950000000001
+64542,Please optimize the molecule C[C@@H](NC(=O)CN1CCCC1=O)c1cccc2ccccc12 to have a higher MR value.,C[C@@H](NC(=O)CN1CCCC1=O)c1cccc2ccccc12,86.31970000000005
+54731,Please optimize the molecule CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@H]1c1ccc(C)cc1 to have a higher MR value.,CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@H]1c1ccc(C)cc1,124.85870000000003
+58653,Modify the molecule O=C1C[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 to increase its MR value.,O=C1C[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1,92.30870000000004
+132658,Optimize the molecule COCC[NH2+]CC[C@@H]1CCOC2(CCCCC2)C1 to have a lower MR value.,COCC[NH2+]CC[C@@H]1CCOC2(CCCCC2)C1,72.64440000000006
+74788,Please optimize the molecule C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CCCCC1)C1CCCCC1 to have a lower MR value.,C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CCCCC1)C1CCCCC1,99.62310000000006
+97487,Please optimize the molecule COc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1O to have a higher MR value.,COc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1O,95.15250000000002
+116322,Please modify the molecule C=CCNC(=O)C(=O)Nc1cccc(Cl)c1C to decrease its MR value.,C=CCNC(=O)C(=O)Nc1cccc(Cl)c1C,68.02540000000002
+211776,Please modify the molecule CC(C)[C@@H](O)c1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 to decrease its MR value.,CC(C)[C@@H](O)c1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1,83.37060000000005
+54111,Modify the molecule Cc1ccc([C@H]2CCCCN2C(=O)[C@@H]2CCO[C@@H]2C)o1 to increase its MR value.,Cc1ccc([C@H]2CCCCN2C(=O)[C@@H]2CCO[C@@H]2C)o1,75.27100000000004
+70233,Modify the molecule SCCCCOC[C@@H]1CCCCO1 to have a lower MR value.,SCCCCOC[C@@H]1CCCCO1,57.49700000000005
+201419,Please optimize the molecule Cc1noc(C)c1C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C to have a higher MR value.,Cc1noc(C)c1C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C,67.57340000000005
+97408,Optimize the molecule Cc1sc(C(=O)NCCS(N)(=O)=O)cc1-c1ccc(F)cc1 to have a lower MR value.,Cc1sc(C(=O)NCCS(N)(=O)=O)cc1-c1ccc(F)cc1,84.7574
+96826,Please optimize the molecule CCc1ccc([C@H](NC(=O)CCn2cnc3sccc3c2=O)C(C)C)cc1 to have a higher MR value.,CCc1ccc([C@H](NC(=O)CCn2cnc3sccc3c2=O)C(C)C)cc1,110.03870000000005
+49296,Optimize the molecule COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)COc2ccc(C=O)cc2)cc1 to have a higher MR value.,COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)COc2ccc(C=O)cc2)cc1,117.45950000000002
+52575,Optimize the molecule CCCc1noc(CN(C)[C@@H]2CS(=O)(=O)c3ccccc32)n1 to have a higher MR value.,CCCc1noc(CN(C)[C@@H]2CS(=O)(=O)c3ccccc32)n1,80.99580000000005
+68540,Optimize the molecule CS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl to have a higher MR value.,CS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl,102.18430000000004
+176865,Please optimize the molecule Cc1n[nH]c(C)c1CCOC(=O)Cc1cccc2cccnc12 to have a higher MR value.,Cc1n[nH]c(C)c1CCOC(=O)Cc1cccc2cccnc12,88.17170000000004
+139060,Modify the molecule C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@@H](C)c2ccccc2)cc1 to have a lower MR value.,C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@@H](C)c2ccccc2)cc1,105.47790000000003
+192869,Optimize the molecule CCn1nc(C)c(NC(=O)N[C@@H]2CCCCc3ccccc32)c1C to have a higher MR value.,CCn1nc(C)c(NC(=O)N[C@@H]2CCCCc3ccccc32)c1C,96.26740000000005
+100003,Please modify the molecule NC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1 to increase its MR value.,NC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1,86.2168
+75443,Modify the molecule COC[C@@H](C)NC(=O)C[NH+](C)CC1CCCCC1 to decrease its MR value.,COC[C@@H](C)NC(=O)C[NH+](C)CC1CCCCC1,72.67640000000006
+148926,Optimize the molecule C[C@@H](C(N)=O)N1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1 to have a lower MR value.,C[C@@H](C(N)=O)N1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1,97.95040000000006
+116702,Modify the molecule COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1ccc2ccccc21)CC3 to have a higher MR value.,COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1ccc2ccccc21)CC3,105.90970000000003
+134448,Modify the molecule CCO[C@@H](C)/C(N)=N/OCc1nn(-c2ccccc2)c2c1CCC2 to decrease its MR value.,CCO[C@@H](C)/C(N)=N/OCc1nn(-c2ccccc2)c2c1CCC2,93.08840000000006
+116443,Modify the molecule FC(F)(F)/C(Br)=C(/Br)C(F)(F)F to have a lower MR value.,FC(F)(F)/C(Br)=C(/Br)C(F)(F)F,36.98999999999999
+110395,Optimize the molecule Cc1nnc2n1CCC[C@@H]2NC(=O)COC[C@@H]1CCCO1 to have a lower MR value.,Cc1nnc2n1CCC[C@@H]2NC(=O)COC[C@@H]1CCCO1,74.66970000000005
+28263,Please modify the molecule [NH3+][C@H]1CCCCC[C@H]1C(=O)N[C@H](c1ccccc1)C1CC1 to increase its MR value.,[NH3+][C@H]1CCCCC[C@H]1C(=O)N[C@H](c1ccccc1)C1CC1,83.30080000000005
+95487,Please modify the molecule Cc1c(C(=O)N2C[C@@H](C)CC[C@@H]2C)nnn1-c1ccc(OC(C)C)cc1 to decrease its MR value.,Cc1c(C(=O)N2C[C@@H](C)CC[C@@H]2C)nnn1-c1ccc(OC(C)C)cc1,100.75650000000005
+92688,Modify the molecule CCCC[NH+](C)C1CCN(C(=S)Nc2ccc(C)cc2C)CC1 to have a lower MR value.,CCCC[NH+](C)C1CCN(C(=S)Nc2ccc(C)cc2C)CC1,103.39340000000007
+9543,Modify the molecule CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1-n1cccc1 to decrease its MR value.,CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1-n1cccc1,104.51470000000002
+110125,Modify the molecule CCCN(CCC)c1nc(C(C)C)c(C[NH3+])s1 to decrease its MR value.,CCCN(CCC)c1nc(C(C)C)c(C[NH3+])s1,75.59010000000005
+186357,Please optimize the molecule COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)c1 to have a lower MR value.,COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)c1,135.36439999999996
+237644,Please modify the molecule C=CCn1cnc2c(oc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c1=O to increase its MR value.,C=CCn1cnc2c(oc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c1=O,100.42800000000005
+193125,Please optimize the molecule CO[C@H](C)/C(N)=N/O[C@H](C)C(=O)Nc1cccc(Cl)c1 to have a lower MR value.,CO[C@H](C)/C(N)=N/O[C@H](C)C(=O)Nc1cccc(Cl)c1,78.72210000000003
+23238,Modify the molecule Cc1ccccc1[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C(C)C to have a higher MR value.,Cc1ccccc1[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C(C)C,93.20610000000006
+112992,Modify the molecule N#CCCN(CCC(F)(F)F)C(=O)c1cnc2ccccn2c1=O to have a higher MR value.,N#CCCN(CCC(F)(F)F)C(=O)c1cnc2ccccn2c1=O,78.26750000000003
+214774,Modify the molecule O=C(NCCC12CC3CC(CC(C3)C1)C2)NC[C@@H]1CCCO1 to increase its MR value.,O=C(NCCC12CC3CC(CC(C3)C1)C2)NC[C@@H]1CCCO1,85.59740000000006
+101200,Modify the molecule C[NH2+][C@H]1CC[C@@H](O[C@H]2CC[C@@H](C)[C@@H](C)C2)C1 to have a higher MR value.,C[NH2+][C@H]1CC[C@@H](O[C@H]2CC[C@@H](C)[C@@H](C)C2)C1,66.32840000000004
+36566,Please modify the molecule Cc1cc(C)nc(N[C@@H](CCl)C(C)C)n1 to decrease its MR value.,Cc1cc(C)nc(N[C@@H](CCl)C(C)C)n1,64.47470000000003
+133631,Please optimize the molecule NC(=O)NC1CC[NH+](Cc2cccc(-c3ccccc3F)c2)CC1 to have a lower MR value.,NC(=O)NC1CC[NH+](Cc2cccc(-c3ccccc3F)c2)CC1,91.97780000000003
+18539,Please modify the molecule COc1ccc(CN(C)C(=O)COc2ccc(C)cc2)cc1 to increase its MR value.,COc1ccc(CN(C)C(=O)COc2ccc(C)cc2)cc1,86.14200000000005
+162618,Modify the molecule CC[NH+]1CCC[C@H]1CN(C)C(=O)c1ccc(N)cc1 to have a lower MR value.,CC[NH+]1CCC[C@H]1CN(C)C(=O)c1ccc(N)cc1,77.20760000000004
+18680,Please modify the molecule O=C(CCCc1c[nH]c2ccccc12)N1CCc2ccc(O)cc2C1 to increase its MR value.,O=C(CCCc1c[nH]c2ccccc12)N1CCc2ccc(O)cc2C1,98.46450000000003
+117670,Please modify the molecule C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Br)C1 to increase its MR value.,C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Br)C1,80.84790000000002
+154682,Optimize the molecule N/C(=N/OC(=O)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 to have a higher MR value.,N/C(=N/OC(=O)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1,81.10480000000003
+38333,Optimize the molecule Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\C2CC2)NC1=O to have a lower MR value.,Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\C2CC2)NC1=O,89.41440000000003
+166687,Please optimize the molecule C[C@H](N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)c1nc(C(C)(C)C)cs1 to have a higher MR value.,C[C@H](N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)c1nc(C(C)(C)C)cs1,106.32340000000006
+64786,Modify the molecule COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3Cl)S2)cc1OC to increase its MR value.,COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3Cl)S2)cc1OC,97.97270000000002
+138658,Please modify the molecule CC[C@H](C)Sc1nnc(N/N=C(\C)c2cccs2)[nH]1 to decrease its MR value.,CC[C@H](C)Sc1nnc(N/N=C(\C)c2cccs2)[nH]1,82.14540000000002
+32829,Modify the molecule COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccc(C)cc1)C(C)C)CC2 to have a higher MR value.,COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccc(C)cc1)C(C)C)CC2,98.27840000000008
+45338,Modify the molecule C[C@H]1CCC[C@@H]([NH+]2CCC(CC(=O)[O-])CC2)[C@@H]1C to have a lower MR value.,C[C@H]1CCC[C@@H]([NH+]2CCC(CC(=O)[O-])CC2)[C@@H]1C,69.01170000000005
+56142,Optimize the molecule C[C@@H](C[NH2+]C1CC1)Cc1nccs1 to have a lower MR value.,C[C@@H](C[NH2+]C1CC1)Cc1nccs1,54.796400000000034
+162427,Optimize the molecule CC(C)[C@@H](NC(=O)c1ccccc1)C1([N+](=O)[O-])CCCCC1 to have a higher MR value.,CC(C)[C@@H](NC(=O)c1ccccc1)C1([N+](=O)[O-])CCCCC1,85.34460000000004
+57824,Please modify the molecule CC[C@@H](O)[C@H]1CCCC[NH+]1Cc1c[nH]nc1-c1ccc(C)cc1 to increase its MR value.,CC[C@@H](O)[C@H]1CCCC[NH+]1Cc1c[nH]nc1-c1ccc(C)cc1,92.23120000000004
+2299,Please modify the molecule Cc1ccc(SC/C([O-])=N/S(=O)(=O)c2ccccc2C)cc1 to increase its MR value.,Cc1ccc(SC/C([O-])=N/S(=O)(=O)c2ccccc2C)cc1,87.70280000000004
+146093,Modify the molecule C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCc2ccc([N+](=O)[O-])cc2C1 to decrease its MR value.,C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCc2ccc([N+](=O)[O-])cc2C1,102.45910000000005
+248958,Modify the molecule COC(=O)c1ccc(N)c(C)c1 to increase its MR value.,COC(=O)c1ccc(N)c(C)c1,46.930900000000015
+86959,Please optimize the molecule CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(F)c1 to have a higher MR value.,CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(F)c1,65.68440000000002
+192346,Please modify the molecule O=C(N[C@@H](CO)c1ccco1)[C@@H]1CCOc2ccccc21 to increase its MR value.,O=C(N[C@@H](CO)c1ccco1)[C@@H]1CCOc2ccccc21,75.97250000000004
+100096,Please optimize the molecule CN(Cc1ccccc1F)C[C@@H]1C(=O)C(C)(C)OC1(C)C to have a lower MR value.,CN(Cc1ccccc1F)C[C@@H]1C(=O)C(C)(C)OC1(C)C,80.47400000000006
+113330,Please modify the molecule CCn1c(=O)c2ccccc2n2c(C[NH+]3CCC(CC(N)=O)CC3)nnc12 to decrease its MR value.,CCn1c(=O)c2ccccc2n2c(C[NH+]3CCC(CC(N)=O)CC3)nnc12,101.36310000000005
+74713,Modify the molecule C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)c1ccc(O)cc1 to have a higher MR value.,C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)c1ccc(O)cc1,80.92030000000003
+210830,Optimize the molecule Cc1ccc2[nH+]c(N)n(CCC3CC3)c2c1 to have a lower MR value.,Cc1ccc2[nH+]c(N)n(CCC3CC3)c2c1,64.98410000000001
+70131,Please modify the molecule CC(C)(C(=O)[O-])n1nnnc1C(F)(F)C(F)F to increase its MR value.,CC(C)(C(=O)[O-])n1nnnc1C(F)(F)C(F)F,42.04400000000001
+155510,Optimize the molecule C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC2CC2)C1 to have a lower MR value.,C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC2CC2)C1,92.81140000000005
+78248,Optimize the molecule O=C(N[C@H]1CCCNC1=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 to have a higher MR value.,O=C(N[C@H]1CCCNC1=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1,85.29210000000002
+90246,Optimize the molecule C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1Cl to have a lower MR value.,C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1Cl,75.53160000000003
+230921,Optimize the molecule Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@@H]1CCCN(c3ncccn3)C1)C2 to have a lower MR value.,Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@@H]1CCCN(c3ncccn3)C1)C2,104.01470000000005
+208238,Modify the molecule COc1cccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)n1 to have a higher MR value.,COc1cccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)n1,60.453499999999984
+198681,Modify the molecule Cc1nc(/C=C/C(=O)Nc2nc(-c3ccccc3)ns2)cs1 to have a higher MR value.,Cc1nc(/C=C/C(=O)Nc2nc(-c3ccccc3)ns2)cs1,89.85970000000002
+188176,Optimize the molecule O=c1oc2c(C[NH+]3CCCCCC3)c(O)ccc2cc1C1[NH+]=c2ccccc2=[NH+]1 to have a lower MR value.,O=c1oc2c(C[NH+]3CCCCCC3)c(O)ccc2cc1C1[NH+]=c2ccccc2=[NH+]1,105.58190000000003
+10188,Optimize the molecule Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CCC(C(N)=O)CC2)c1 to have a higher MR value.,Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CCC(C(N)=O)CC2)c1,96.85010000000004
+188543,Please optimize the molecule O=C1CCc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)nc2N1 to have a higher MR value.,O=C1CCc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)nc2N1,108.40190000000004
+130361,Please optimize the molecule CC(=O)N(CCOc1ccccc1)C[C@H](C)O to have a lower MR value.,CC(=O)N(CCOc1ccccc1)C[C@H](C)O,65.87180000000004
+172161,Please modify the molecule Cc1ccc([N-]S(=O)(=O)[C@@H]2CCC[NH2+]C2)c(C)[nH+]1 to decrease its MR value.,Cc1ccc([N-]S(=O)(=O)[C@@H]2CCC[NH2+]C2)c(C)[nH+]1,69.09190000000004
+168439,Optimize the molecule Cc1cc(NC(=O)c2cccc(F)c2)nn1-c1ccccc1 to have a higher MR value.,Cc1cc(NC(=O)c2cccc(F)c2)nn1-c1ccccc1,82.65420000000002
+87461,Please modify the molecule CCCCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)[C@H](C)CC to decrease its MR value.,CCCCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)[C@H](C)CC,92.77800000000005
+243522,Modify the molecule O=C(CN1C(=O)C(=O)N(CC[C@H]2CC=CS2)C1=O)C1=NC=CC1 to decrease its MR value.,O=C(CN1C(=O)C(=O)N(CC[C@H]2CC=CS2)C1=O)C1=NC=CC1,84.77400000000003
+109356,Modify the molecule Cc1nc2cc(NC(=O)[C@H]3CCCN(c4ccc(-n5ccnc5)nn4)C3)ccc2s1 to have a lower MR value.,Cc1nc2cc(NC(=O)[C@H]3CCCN(c4ccc(-n5ccnc5)nn4)C3)ccc2s1,117.07770000000004
+72714,Please optimize the molecule CCC(=O)N(C)C[C@H]1C=c2ccccc2=[NH+]C1=O to have a higher MR value.,CCC(=O)N(C)C[C@H]1C=c2ccccc2=[NH+]C1=O,66.64770000000003
+143472,Please modify the molecule CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccn(C)c1=O to decrease its MR value.,CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccn(C)c1=O,75.25840000000002
+240702,Please optimize the molecule CCNC(=O)c1ccnc(N2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)c1 to have a lower MR value.,CCNC(=O)c1ccnc(N2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)c1,113.65020000000004
+87025,Please modify the molecule Brc1cc2c(cc1CN1CC[NH+](Cc3ccc4c(c3)OCCO4)CC1)OCCO2 to decrease its MR value.,Brc1cc2c(cc1CN1CC[NH+](Cc3ccc4c(c3)OCCO4)CC1)OCCO2,112.24170000000007
+6578,Please modify the molecule C[NH2+]Cc1cc(F)c(N2C[C@@H](C)[C@H](C)C2)c(F)c1 to increase its MR value.,C[NH2+]Cc1cc(F)c(N2C[C@@H](C)[C@H](C)C2)c(F)c1,68.45240000000003
+85220,Please optimize the molecule Cc1[nH+]ccn1[C@@H]1CCC[C@H](O)C1 to have a higher MR value.,Cc1[nH+]ccn1[C@@H]1CCC[C@H](O)C1,49.236500000000035
+69060,Modify the molecule C[NH+](C)CC[C@@H]1CN(C(=O)c2ccc(Cl)s2)CCO1 to increase its MR value.,C[NH+](C)CC[C@@H]1CN(C(=O)c2ccc(Cl)s2)CCO1,77.26720000000005
+34419,Optimize the molecule CC1(C)C[C@H](N[C@@H]2COc3ccccc32)c2ccc(F)cc2O1 to have a higher MR value.,CC1(C)C[C@H](N[C@@H]2COc3ccccc32)c2ccc(F)cc2O1,86.27870000000004
+69424,Optimize the molecule CS(=O)(=O)NC1CCC([NH2+]Cc2cccc3cn[nH]c23)CC1 to have a higher MR value.,CS(=O)(=O)NC1CCC([NH2+]Cc2cccc3cn[nH]c23)CC1,85.74660000000003
+242521,Please optimize the molecule O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN1CCOCC1 to have a lower MR value.,O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN1CCOCC1,73.84710000000003
+248320,Please optimize the molecule Cc1n[nH]c(S[C@@H](C)c2nc(-c3cccs3)no2)n1 to have a lower MR value.,Cc1n[nH]c(S[C@@H](C)c2nc(-c3cccs3)no2)n1,73.00270000000002
+78518,Please optimize the molecule C[C@H](Cc1cccs1)N(C)C[C@](C)([NH3+])C1CC1 to have a higher MR value.,C[C@H](Cc1cccs1)N(C)C[C@](C)([NH3+])C1CC1,74.13210000000004
+126506,Modify the molecule O=C(Cn1nc2ccccn2c1=O)Oc1ccccc1F to decrease its MR value.,O=C(Cn1nc2ccccn2c1=O)Oc1ccccc1F,71.48700000000002
+133435,Please modify the molecule CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N2CCC(CO)CC2)c1 to increase its MR value.,CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N2CCC(CO)CC2)c1,98.14520000000005
+223430,Modify the molecule Cc1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C to have a lower MR value.,Cc1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C,90.83710000000002
+96185,Modify the molecule C[C@H](Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 to have a lower MR value.,C[C@H](Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1,71.53410000000002
+109545,Modify the molecule Cc1cc(-c2csc(NC(=O)c3cccnc3)n2)ccc1F to have a higher MR value.,Cc1cc(-c2csc(NC(=O)c3cccnc3)n2)ccc1F,84.43520000000002
+169068,Please modify the molecule Nc1nc2c[nH+]ccc2n1Cc1cc(Br)cs1 to increase its MR value.,Nc1nc2c[nH+]ccc2n1Cc1cc(Br)cs1,71.82210000000002
+91204,Modify the molecule COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2Cl)CC1 to have a higher MR value.,COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2Cl)CC1,78.75040000000004
+119936,Optimize the molecule O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 to have a lower MR value.,O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1,115.40700000000001
+48178,Modify the molecule CSc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)c1 to increase its MR value.,CSc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)c1,83.43140000000004
+66345,Modify the molecule CCOc1cc(CNC(=O)NC[C@H]2CCC[NH+]2CC)ccn1 to increase its MR value.,CCOc1cc(CNC(=O)NC[C@H]2CCC[NH+]2CC)ccn1,85.03710000000004
+150140,Please optimize the molecule COc1ncccc1NC(=O)c1ccc(N2CCC(C)=N2)cc1 to have a higher MR value.,COc1ncccc1NC(=O)c1ccc(N2CCC(C)=N2)cc1,90.25620000000004
+190706,Modify the molecule [NH3+]C[C@@]1([C@H](O)c2cc(Br)c(Br)o2)CCOC1 to have a higher MR value.,[NH3+]C[C@@]1([C@H](O)c2cc(Br)c(Br)o2)CCOC1,64.69190000000002
+30737,Modify the molecule Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccco1)C2 to decrease its MR value.,Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccco1)C2,92.19540000000003
+81670,Please modify the molecule CCN(CC)S(=O)(=O)c1ccc(N2c3ccccc3C[C@@H]2C)nc1 to increase its MR value.,CCN(CC)S(=O)(=O)c1ccc(N2c3ccccc3C[C@@H]2C)nc1,96.09080000000006
+238090,Modify the molecule C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)C1CCOCC1 to have a lower MR value.,C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)C1CCOCC1,85.94100000000005
+89402,Modify the molecule COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 to increase its MR value.,COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1,79.51040000000005
+5730,Please modify the molecule C[NH2+][C@H](c1ccc2c(c1)OC[C@H](C)CO2)[C@@H]1CCO[C@@H]1C to decrease its MR value.,C[NH2+][C@H](c1ccc2c(c1)OC[C@H](C)CO2)[C@@H]1CCO[C@@H]1C,80.70740000000005
+226780,Please modify the molecule Cc1cccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1 to increase its MR value.,Cc1cccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1,132.0035
+144428,Modify the molecule O=[N+]([O-])c1ccc(-c2cc(F)cc(Cl)c2)cc1 to increase its MR value.,O=[N+]([O-])c1ccc(-c2cc(F)cc(Cl)c2)cc1,63.50040000000002
+198031,Please optimize the molecule COCc1cccc(CNC(=O)C[NH+]2CCCSCC2)c1 to have a higher MR value.,COCc1cccc(CNC(=O)C[NH+]2CCCSCC2)c1,86.50740000000005
+192593,Please optimize the molecule CCc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N2CCN(Cc3ccccc3)CC2)N1 to have a higher MR value.,CCc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N2CCN(Cc3ccccc3)CC2)N1,121.72440000000002
+65275,Optimize the molecule Cc1ccc(NC(=O)N(C)C2CCCCC2)cc1C to have a higher MR value.,Cc1ccc(NC(=O)N(C)C2CCCCC2)cc1C,79.57070000000004
+237237,Optimize the molecule C[NH+](C)CC(=O)Nc1cccc(CNC(=O)Nc2cccc(F)c2)c1 to have a higher MR value.,C[NH+](C)CC(=O)Nc1cccc(CNC(=O)Nc2cccc(F)c2)c1,95.00780000000003
+179913,Modify the molecule O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1cccc(Cl)c1 to have a higher MR value.,O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1cccc(Cl)c1,108.33720000000002
+3469,Please optimize the molecule CCc1nn(C)cc1CNC[C@@H](c1ccc(C)o1)N1CCOCC1 to have a lower MR value.,CCc1nn(C)cc1CNC[C@@H](c1ccc(C)o1)N1CCOCC1,92.87070000000006
+77059,Please modify the molecule CC1=C[C@@H]([C@@H]2Nn3c(nnc3-c3ccc(Cl)cc3F)S2)N=N1 to increase its MR value.,CC1=C[C@@H]([C@@H]2Nn3c(nnc3-c3ccc(Cl)cc3F)S2)N=N1,81.8327
+119654,Optimize the molecule CCCn1c(=O)c2sccc2n2c(SCc3ccc(Br)cc3)nnc12 to have a lower MR value.,CCCn1c(=O)c2sccc2n2c(SCc3ccc(Br)cc3)nnc12,106.62400000000001
+180614,Optimize the molecule CCOc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 to have a higher MR value.,CCOc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1,92.51970000000003
+166466,Optimize the molecule COc1cc(C2(C(=O)NCCn3cnnc3C(C)C)CCCC2)ccc1C to have a lower MR value.,COc1cc(C2(C(=O)NCCn3cnnc3C(C)C)CCCC2)ccc1C,104.99770000000005
+85447,Please modify the molecule CCC(CC)(CC)[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2 to decrease its MR value.,CCC(CC)(CC)[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2,69.33440000000006
+54917,Modify the molecule CCCN1C[C@@H](NC2CC[NH+](Cc3cccnc3)CC2)CC1=O to decrease its MR value.,CCCN1C[C@@H](NC2CC[NH+](Cc3cccnc3)CC2)CC1=O,90.07140000000005
+127899,Please modify the molecule CCC[C@@](C)(Nc1ccc(Cl)c(Br)c1)C(=O)OC to increase its MR value.,CCC[C@@](C)(Nc1ccc(Cl)c(Br)c1)C(=O)OC,78.10370000000003
+84118,Modify the molecule CC(C)c1cc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)n[nH]1 to have a lower MR value.,CC(C)c1cc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)n[nH]1,89.71890000000003
+4169,Please modify the molecule C=CC[NH2+]CC(=O)N[C@H](C)c1c(C)noc1C to decrease its MR value.,C=CC[NH2+]CC(=O)N[C@H](C)c1c(C)noc1C,64.39110000000002
+46153,Optimize the molecule Cc1cc(CC(=O)N2CCNC[C@@H]2C(=O)Nc2ccc(F)cc2)on1 to have a lower MR value.,Cc1cc(CC(=O)N2CCNC[C@@H]2C(=O)Nc2ccc(F)cc2)on1,88.34440000000002
+200351,Optimize the molecule Cc1cccc(Cl)c1NC(=O)c1ccccc1C(F)(F)F to have a lower MR value.,Cc1cccc(Cl)c1NC(=O)c1ccccc1C(F)(F)F,75.58620000000002
+212326,Optimize the molecule O=C1CN(c2ccccc2)C(=O)N1CN1CCCSCC1 to have a lower MR value.,O=C1CN(c2ccccc2)C(=O)N1CN1CCCSCC1,84.41200000000005
+102260,Please optimize the molecule [NH3+][C@H]1CCc2cc(Cl)ccc2[C@H]1O to have a higher MR value.,[NH3+][C@H]1CCc2cc(Cl)ccc2[C@H]1O,51.40890000000002
+141511,Modify the molecule CC[C@@H]([NH2+][C@@H]1CCc2c(OC)cccc21)[C@H]1CCCO1 to have a higher MR value.,CC[C@@H]([NH2+][C@@H]1CCc2c(OC)cccc21)[C@H]1CCCO1,79.03440000000005
+135064,Modify the molecule Cc1cccc(C)c1OCCNC(=O)COc1ccc2nccnc2c1 to decrease its MR value.,Cc1cccc(C)c1OCCNC(=O)COc1ccc2nccnc2c1,99.45370000000003
+29863,Please modify the molecule Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccccc3F)ccc2=O)cc1Cl to decrease its MR value.,Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccccc3F)ccc2=O)cc1Cl,109.92970000000003
+197150,Modify the molecule Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 to increase its MR value.,Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1,98.81610000000006
+217966,Please optimize the molecule Cc1nc(C)c(C(=O)NC2(C)Cc3ccccc3C2)s1 to have a higher MR value.,Cc1nc(C)c(C(=O)NC2(C)Cc3ccccc3C2)s1,81.30920000000005
+66658,Modify the molecule Cc1cc(NC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)no1 to decrease its MR value.,Cc1cc(NC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)no1,91.93990000000004
+24446,Optimize the molecule COCCn1/c(=N\C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(NC(C)=O)ccc21 to have a higher MR value.,COCCn1/c(=N\C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(NC(C)=O)ccc21,115.75350000000006
+82840,Optimize the molecule O=C(NNCCO)Nc1ccccc1 to have a higher MR value.,O=C(NNCCO)Nc1ccccc1,53.68490000000002
+188160,Optimize the molecule C[NH+](CCCN1C(=O)NC(C)(C)C1=O)CCc1nccs1 to have a higher MR value.,C[NH+](CCCN1C(=O)NC(C)(C)C1=O)CCc1nccs1,81.37940000000005
+166945,Please modify the molecule COc1ccc(CCNC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 to decrease its MR value.,COc1ccc(CCNC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1,113.11470000000003
+204813,Modify the molecule CC[C@H]([NH3+])Cc1ccc(OCc2ccc(F)cc2Cl)cn1 to have a higher MR value.,CC[C@H]([NH3+])Cc1ccc(OCc2ccc(F)cc2Cl)cn1,80.65010000000002
+183961,Optimize the molecule C#CCNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O to have a lower MR value.,C#CCNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O,77.14240000000004
+166,Modify the molecule CC(=O)N[C@@H](C(=O)NC1COC1)C(C)C to increase its MR value.,CC(=O)N[C@@H](C(=O)NC1COC1)C(C)C,55.192400000000035
+233065,Please optimize the molecule CC(C)n1c(=O)n(CCO)c(=O)c2c3c(sc21)COC(C)(C)C3 to have a lower MR value.,CC(C)n1c(=O)n(CCO)c(=O)c2c3c(sc21)COC(C)(C)C3,90.38780000000004
+54238,Please modify the molecule COc1ccccc1-c1nc(-c2ccc(S(N)(=O)=O)cc2)cs1 to decrease its MR value.,COc1ccccc1-c1nc(-c2ccc(S(N)(=O)=O)cc2)cs1,90.91120000000002
+235474,Please optimize the molecule CCCCc1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/O)C2)C3(C)C)cc1 to have a lower MR value.,CCCCc1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/O)C2)C3(C)C)cc1,101.07720000000005
+195003,Optimize the molecule Cc1ccc(-c2ncco2)cc1NC(=O)NCCc1nnc2n1CCC2 to have a lower MR value.,Cc1ccc(-c2ncco2)cc1NC(=O)NCCc1nnc2n1CCC2,95.74440000000003
+233225,Modify the molecule COc1ccnc(NNC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1 to have a higher MR value.,COc1ccnc(NNC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1,79.84110000000003
+45718,Modify the molecule CCOC(=O)c1noc2nc(C)nc(NCCC3=CCCCC3)c12 to have a higher MR value.,CCOC(=O)c1noc2nc(C)nc(NCCC3=CCCCC3)c12,89.95020000000004
+91425,Optimize the molecule CO[C@@H]1OC(=O)c2cccc3cccc1c23 to have a lower MR value.,CO[C@@H]1OC(=O)c2cccc3cccc1c23,59.11350000000003
+70025,Optimize the molecule Cc1cc(NC(=O)CSCC(=O)N2CCN(c3cccc(C)c3C)CC2)no1 to have a lower MR value.,Cc1cc(NC(=O)CSCC(=O)N2CCN(c3cccc(C)c3C)CC2)no1,111.90370000000004
+156478,Please modify the molecule O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](c2ccccc2)C1 to increase its MR value.,O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](c2ccccc2)C1,111.32340000000005
+223677,Please optimize the molecule O=C(Cc1ccccc1Cl)Nc1nc2ccccc2nc1N1CCCC1 to have a lower MR value.,O=C(Cc1ccccc1Cl)Nc1nc2ccccc2nc1N1CCCC1,104.77070000000006
+104539,Modify the molecule CO[C@@H]1CCCN(C(=O)c2ccc3nc(C4CCCCC4)oc3c2)C1 to have a higher MR value.,CO[C@@H]1CCCN(C(=O)c2ccc3nc(C4CCCCC4)oc3c2)C1,95.76950000000005
+113576,Optimize the molecule C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2sccc2c1=O to have a lower MR value.,C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2sccc2c1=O,114.19970000000006
+235669,Please optimize the molecule CCCn1ncnc1C[C@H]([NH2+]C)[C@H]1CN(CC)CCO1 to have a lower MR value.,CCCn1ncnc1C[C@H]([NH2+]C)[C@H]1CN(CC)CCO1,77.50840000000005
+140722,Optimize the molecule C[C@H]1CCC[C@H](Nc2ncc(C(=O)[O-])cc2Cl)C1 to have a lower MR value.,C[C@H]1CCC[C@H](Nc2ncc(C(=O)[O-])cc2Cl)C1,68.62020000000004
+128085,Modify the molecule Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] to have a lower MR value.,Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-],111.30540000000005
+69856,Optimize the molecule CCN(CCS(C)(=O)=O)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 to have a lower MR value.,CCN(CCS(C)(=O)=O)Cc1nc(-c2cc(Cl)ccc2Cl)cs1,98.23180000000004
+218018,Please modify the molecule CC(C)c1nc([C@H](C)N[C@H]2CC[NH+](C)C2)cs1 to increase its MR value.,CC(C)c1nc([C@H](C)N[C@H]2CC[NH+](C)C2)cs1,72.77940000000005
+63505,Modify the molecule CCC[C@H]1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CCO1 to increase its MR value.,CCC[C@H]1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CCO1,81.08300000000004
+120370,Modify the molecule Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)[NH+](C)C to have a higher MR value.,Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)[NH+](C)C,94.04810000000003
+169708,Modify the molecule Cc1cc(NC(=O)NC[C@@H](O)C2CCCC2)c2ncccc2c1 to have a higher MR value.,Cc1cc(NC(=O)NC[C@@H](O)C2CCCC2)c2ncccc2c1,91.46620000000003
+202556,Please optimize the molecule Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 to have a lower MR value.,Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1,105.06130000000003
+73003,Modify the molecule CN(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 to have a lower MR value.,CN(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2Cl)CC1,86.47350000000004
+212562,Modify the molecule NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCC2 to decrease its MR value.,NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCC2,100.15550000000002
+17040,Please modify the molecule COCCN1CC[NH+](CC2(CS(C)(=O)=O)CCC2)CC1=O to decrease its MR value.,COCCN1CC[NH+](CC2(CS(C)(=O)=O)CCC2)CC1=O,80.01450000000006
+32577,Optimize the molecule C=CCOc1c(OC)cccc1OC to have a higher MR value.,C=CCOc1c(OC)cccc1OC,55.238000000000035
+222458,Modify the molecule Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cccc(OC(F)F)c1 to have a higher MR value.,Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cccc(OC(F)F)c1,92.09120000000004
+48077,Optimize the molecule CCC[C@H](C)NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 to have a higher MR value.,CCC[C@H](C)NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1,88.15920000000006
+5626,Optimize the molecule COCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 to have a higher MR value.,COCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1,95.70470000000006
+32607,Optimize the molecule CCn1cncc1[C@H]1C(N)=NC(=O)N1CC1CC1 to have a lower MR value.,CCn1cncc1[C@H]1C(N)=NC(=O)N1CC1CC1,67.09040000000003
+136347,Please modify the molecule CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 to decrease its MR value.,CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,93.64100000000005
+57435,Modify the molecule CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C(C)C)C1 to increase its MR value.,CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C(C)C)C1,66.07040000000005
+79899,Modify the molecule Cc1ccccc1NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C)CCCC3 to have a higher MR value.,Cc1ccccc1NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C)CCCC3,116.63070000000008
+170518,Optimize the molecule COc1cc(OC)cc(N2C[C@H](C(=O)N(C)Cc3ccccc3)CC2=O)c1 to have a lower MR value.,COc1cc(OC)cc(N2C[C@H](C(=O)N(C)Cc3ccccc3)CC2=O)c1,102.92200000000005
+39675,Modify the molecule COC(=O)Nc1ccc(NC(C)=O)cc1 to have a higher MR value.,COC(=O)Nc1ccc(NC(C)=O)cc1,56.773400000000024
+191127,Optimize the molecule Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 to have a lower MR value.,Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)N1CCN(c2cccc[nH+]2)CC1,127.39820000000003
+28439,Modify the molecule CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cscc2C)C1 to have a higher MR value.,CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cscc2C)C1,64.30150000000003
+241724,Please modify the molecule CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 to increase its MR value.,CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1,80.83880000000006
+69267,Modify the molecule COC[C@@H](O)CN1CCC([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 to have a lower MR value.,COC[C@@H](O)CN1CCC([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1,89.85420000000008
+69401,Optimize the molecule O=C(COc1ccc(F)cc1F)N[C@@H](CO)Cc1c[nH]c2ccccc12 to have a lower MR value.,O=C(COc1ccc(F)cc1F)N[C@@H](CO)Cc1c[nH]c2ccccc12,92.87220000000002
+134680,Please optimize the molecule O=C1N[C@]2(C[C@H]3CC[C@@H]2[NH+]3Cc2ccco2)Nc2ccccc21 to have a higher MR value.,O=C1N[C@]2(C[C@H]3CC[C@@H]2[NH+]3Cc2ccco2)Nc2ccccc21,85.06360000000004
+147929,Optimize the molecule N#C[C@H]1[C@@H]2CCCC[C@@H]2S[C@H]1NC(=O)CSc1cn[n-]n1 to have a higher MR value.,N#C[C@H]1[C@@H]2CCCC[C@@H]2S[C@H]1NC(=O)CSc1cn[n-]n1,80.44670000000004
+29968,Modify the molecule CCSc1nnc2c(n1)O[C@H](c1ccco1)N(C(=O)CC)c1ccccc1-2 to have a higher MR value.,CCSc1nnc2c(n1)O[C@H](c1ccco1)N(C(=O)CC)c1ccccc1-2,101.51500000000001
+142931,Modify the molecule C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)S1 to have a higher MR value.,C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)S1,83.40630000000003
+137566,Modify the molecule CC1CCN(c2ccc([C@@H](C)[NH3+])cc2Cl)CC1 to decrease its MR value.,CC1CCN(c2ccc([C@@H](C)[NH3+])cc2Cl)CC1,73.36610000000003
+230739,Please modify the molecule CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1 to decrease its MR value.,CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1,101.88080000000005
+192471,Modify the molecule NC(=O)C[C@H](NC(=O)c1csc(Br)c1)C(=O)[O-] to increase its MR value.,NC(=O)C[C@H](NC(=O)c1csc(Br)c1)C(=O)[O-],62.09160000000001
+229390,Modify the molecule Cc1ccsc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 to increase its MR value.,Cc1ccsc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1,87.22840000000006
+215393,Optimize the molecule CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 to have a lower MR value.,CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1,109.61600000000003
+233470,Modify the molecule O=C1[C@H]([NH+]2CC[C@H](CN3CCOCC3)C2)CCN1c1c(F)cccc1F to decrease its MR value.,O=C1[C@H]([NH+]2CC[C@H](CN3CCOCC3)C2)CCN1c1c(F)cccc1F,93.17870000000006
+235531,Please optimize the molecule Cc1nc(CNc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)oc1C to have a lower MR value.,Cc1nc(CNc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)oc1C,97.04870000000007
+21164,Please modify the molecule Cc1ccc(N)c(SCc2cccc(Cl)c2)c1 to decrease its MR value.,Cc1ccc(N)c(SCc2cccc(Cl)c2)c1,76.60440000000003
+157320,Please modify the molecule CCn1cc(-c2cc(C(=O)N[C@@H](C)C[NH+]3CCCC3)c3ccccc3n2)cn1 to increase its MR value.,CCn1cc(-c2cc(C(=O)N[C@@H](C)C[NH+]3CCCC3)c3ccccc3n2)cn1,110.36390000000004
+12135,Please modify the molecule Cc1ccc(-c2c(C)nn(CC(=O)Nc3ccnn3C3CCCCC3)c2C)o1 to increase its MR value.,Cc1ccc(-c2c(C)nn(CC(=O)Nc3ccnn3C3CCCCC3)c2C)o1,107.11870000000005
+90878,Modify the molecule CN(C)C(=O)Sc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] to increase its MR value.,CN(C)C(=O)Sc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-],102.14210000000004
+11352,Optimize the molecule CC(C)c1ccc(NC(=O)[C@@H](C)[S@@](=O)C/C=C/c2ccccc2)cc1 to have a lower MR value.,CC(C)c1ccc(NC(=O)[C@@H](C)[S@@](=O)C/C=C/c2ccccc2)cc1,107.10810000000002
+109125,Modify the molecule CC(=O)N1CCCc2cc(S(=O)(=O)N(C)c3ccc(C)cc3)ccc21 to have a higher MR value.,CC(=O)N1CCCc2cc(S(=O)(=O)N(C)c3ccc(C)cc3)ccc21,99.55780000000004
+89342,Modify the molecule N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1cccc2ccccc12 to decrease its MR value.,N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1cccc2ccccc12,119.6174
+2862,Optimize the molecule CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 to have a lower MR value.,CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1,107.5549
+3288,Optimize the molecule CN(CCOc1cccc(Cl)c1)C(=O)c1ccc2ncsc2c1 to have a higher MR value.,CN(CCOc1cccc(Cl)c1)C(=O)c1ccc2ncsc2c1,93.52750000000003
+162681,Modify the molecule Clc1cc(N2CCC[C@@H](Oc3ccccc3)C2)ncn1 to have a higher MR value.,Clc1cc(N2CCC[C@@H](Oc3ccccc3)C2)ncn1,79.34700000000004
+150158,Modify the molecule O=C(NCCCO)c1nc2ccccc2c(=O)[nH]1 to have a higher MR value.,O=C(NCCCO)c1nc2ccccc2c(=O)[nH]1,66.39970000000001
+17356,Please optimize the molecule C[C@H]1C[C@@H](NCc2cn(C)nc2C(C)(C)C)C[NH+]1Cc1ccccc1 to have a lower MR value.,C[C@H]1C[C@@H](NCc2cn(C)nc2C(C)(C)C)C[NH+]1Cc1ccccc1,102.59040000000006
+17171,Please modify the molecule O=C(N1CCC(C(=O)[O-])(n2cc[nH+]c2)CC1)C1(c2ccccc2)CC1 to increase its MR value.,O=C(N1CCC(C(=O)[O-])(n2cc[nH+]c2)CC1)C1(c2ccccc2)CC1,87.13670000000006
+51445,Please modify the molecule OC[C@H]1CCCCN1c1ccc2nccnc2n1 to increase its MR value.,OC[C@H]1CCCCN1c1ccc2nccnc2n1,69.40380000000003
+70972,Modify the molecule O=C(Nc1ccc2c(c1)OCO2)c1cccc(OCC(F)F)n1 to decrease its MR value.,O=C(Nc1ccc2c(c1)OCO2)c1cccc(OCC(F)F)n1,76.25420000000004
+125086,Modify the molecule O=C(COc1ccc(-c2ccccc2)cc1)NCCc1c[nH]c2ccccc12 to decrease its MR value.,O=C(COc1ccc(-c2ccccc2)cc1)NCCc1c[nH]c2ccccc12,112.38540000000003
+162754,Optimize the molecule CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 to have a higher MR value.,CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1,89.87740000000002
+113034,Optimize the molecule O=C(c1cc[nH]n1)N1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCCCC1)[C@@H]2O to have a lower MR value.,O=C(c1cc[nH]n1)N1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCCCC1)[C@@H]2O,105.14070000000005
+1760,Modify the molecule COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCO)CC(=O)N32)c(OC)c1 to have a higher MR value.,COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCO)CC(=O)N32)c(OC)c1,117.69150000000005
+225770,Please modify the molecule COCCN(Cc1cnc2ccc(Br)cn12)[C@H](C)C(N)=O to increase its MR value.,COCCN(Cc1cnc2ccc(Br)cn12)[C@H](C)C(N)=O,83.83440000000003
+61537,Please optimize the molecule CC[C@H]1CCC(=O)[C@@H](CCc2ccc(OC)cc2)C1 to have a lower MR value.,CC[C@H]1CCC(=O)[C@@H](CCc2ccc(OC)cc2)C1,77.44400000000006
+218612,Modify the molecule CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)[n+]2c(sc(-c3ccccc3)c2[O-])N1C to increase its MR value.,CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)[n+]2c(sc(-c3ccccc3)c2[O-])N1C,130.1097
+28545,Please modify the molecule CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3C)C2)c1 to increase its MR value.,CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3C)C2)c1,104.20250000000004
+94087,Modify the molecule CC(C)(C)NC(=O)CNCc1ccc(OC(F)F)c(Br)c1 to increase its MR value.,CC(C)(C)NC(=O)CNCc1ccc(OC(F)F)c(Br)c1,80.37640000000003
+25311,Please optimize the molecule CC(C)[NH+](CC(N)=O)Cc1ccc(Br)cc1F to have a higher MR value.,CC(C)[NH+](CC(N)=O)Cc1ccc(Br)cc1F,67.96410000000002
+160003,Please optimize the molecule CN(C)C(=O)N1CCN(C(=O)c2ccc(N3CCC(O)CC3)cc2)CC1 to have a lower MR value.,CN(C)C(=O)N1CCN(C(=O)c2ccc(N3CCC(O)CC3)cc2)CC1,100.45530000000005
+97557,Please modify the molecule COc1ccc(C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cn1 to increase its MR value.,COc1ccc(C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cn1,87.93870000000003
+161426,Modify the molecule CCCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O to increase its MR value.,CCCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O,95.30200000000006
+143691,Please modify the molecule Cc1sc(=O)n(CCC(=O)/N=c2\[nH]c3ccccc3n2C(C)(C)C)c1C to decrease its MR value.,Cc1sc(=O)n(CCC(=O)/N=c2\[nH]c3ccccc3n2C(C)(C)C)c1C,104.52470000000004
+48691,Optimize the molecule O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1 to have a higher MR value.,O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1,90.34550000000003
+242787,Modify the molecule CCSc1nc(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC)cs1 to increase its MR value.,CCSc1nc(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC)cs1,83.07680000000003
+223245,Please optimize the molecule Cc1cccc(C)c1NC(=O)CNC(=O)NCc1cc(C#N)ccc1F to have a higher MR value.,Cc1cccc(C)c1NC(=O)CNC(=O)NCc1cc(C#N)ccc1F,95.89910000000003
+130326,Modify the molecule O=C(CCCNC(=O)c1cccs1)NC1CCC([NH+]2CCCCC2)CC1 to have a higher MR value.,O=C(CCCNC(=O)c1cccs1)NC1CCC([NH+]2CCCCC2)CC1,104.62060000000007
+201365,Modify the molecule CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@]12CCc1ccccc1C(=O)N2 to have a higher MR value.,CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@]12CCc1ccccc1C(=O)N2,107.97660000000006
+78238,Modify the molecule Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)c1ccncc1 to decrease its MR value.,Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)c1ccncc1,87.92640000000004
+248127,Modify the molecule COc1cc(Br)c2c(c1)NC(=O)CO2 to increase its MR value.,COc1cc(Br)c2c(c1)NC(=O)CO2,54.818700000000014
+102952,Optimize the molecule O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCN(Cc2cccs2)CC1 to have a lower MR value.,O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCN(Cc2cccs2)CC1,95.43000000000005
+223494,Modify the molecule CCCCc1nn2c(=O)cc(N3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)[nH+]c2s1 to have a lower MR value.,CCCCc1nn2c(=O)cc(N3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)[nH+]c2s1,117.03910000000008
+172344,Optimize the molecule Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(=O)N3CCOCC3)C2)cc1F to have a higher MR value.,Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(=O)N3CCOCC3)C2)cc1F,91.04350000000005
+163302,Please modify the molecule CC[C@@H](C)C[NH+](C)Cc1cc(C(N)=O)cs1 to decrease its MR value.,CC[C@@H](C)C[NH+](C)Cc1cc(C(N)=O)cs1,67.74960000000003
+201270,Modify the molecule COC(=O)C(C)(C)CSc1nnc(C[NH3+])n1C1CC1 to decrease its MR value.,COC(=O)C(C)(C)CSc1nnc(C[NH3+])n1C1CC1,71.40610000000004
+216731,Modify the molecule C[C@H](CCl)CS(=O)(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 to have a lower MR value.,C[C@H](CCl)CS(=O)(=O)N[C@H]1CC[NH+]2CCCC[C@H]12,73.54720000000006
+19796,Modify the molecule C[C@H](c1cccnc1)N(C(=O)NCc1ccc(Cn2cncn2)cc1)C1CC1 to have a higher MR value.,C[C@H](c1cccnc1)N(C(=O)NCc1ccc(Cn2cncn2)cc1)C1CC1,105.31470000000003
+220298,Please modify the molecule CCC[NH+](C)[C@@H]1CCCCC[C@@H]1C#N to increase its MR value.,CCC[NH+](C)[C@@H]1CCCCC[C@@H]1C#N,58.02070000000005
+41828,Modify the molecule COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(C)cc1 to increase its MR value.,COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(C)cc1,102.91070000000002
+135081,Modify the molecule C[C@H](OC(=O)c1ccccc1CN1C(=O)CNC1=O)C(=O)NC1CCCCCC1 to have a lower MR value.,C[C@H](OC(=O)c1ccccc1CN1C(=O)CNC1=O)C(=O)NC1CCCCCC1,104.90090000000006
+8086,Please modify the molecule COc1ccc(CCNC(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1OC to decrease its MR value.,COc1ccc(CCNC(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1OC,115.57470000000005
+81652,Please optimize the molecule CC[C@@H](NC(=O)c1n[nH]c(C(C)C)n1)c1ccc(Br)cc1 to have a lower MR value.,CC[C@@H](NC(=O)c1n[nH]c(C(C)C)n1)c1ccc(Br)cc1,85.11190000000003
+27837,Please optimize the molecule Cc1cccc(NC(=O)CSCC(=O)N2CCOC[C@H]2C2CC2)c1 to have a lower MR value.,Cc1cccc(NC(=O)CSCC(=O)N2CCOC[C@H]2C2CC2)c1,96.17770000000004
+75681,Modify the molecule CC(=O)c1cccc(NC(=O)c2ccc(-c3cncnc3)nc2)c1 to have a higher MR value.,CC(=O)c1cccc(NC(=O)c2ccc(-c3cncnc3)nc2)c1,89.6627
+94467,Please modify the molecule CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1 to increase its MR value.,CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1,103.93380000000005
+172120,Modify the molecule Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)ccc1OC(C)C to decrease its MR value.,Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)ccc1OC(C)C,92.15140000000005
+210321,Please modify the molecule Cc1cc(=O)c(C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)nn1-c1cccc(C(F)(F)F)c1 to increase its MR value.,Cc1cc(=O)c(C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)nn1-c1cccc(C(F)(F)F)c1,103.75790000000005
+70252,Please optimize the molecule C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 to have a lower MR value.,C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1,105.06680000000003
+137040,Modify the molecule Cc1cc2nc(S/C(=C\c3ccc(O)cc3)C(=O)[O-])[nH]c2cc1C to increase its MR value.,Cc1cc2nc(S/C(=C\c3ccc(O)cc3)C(=O)[O-])[nH]c2cc1C,92.51550000000002
+113780,Please modify the molecule COc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[C@@H]1C to decrease its MR value.,COc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[C@@H]1C,75.03540000000002
+147326,Please optimize the molecule Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1F to have a higher MR value.,Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1F,89.93330000000003
+70196,Modify the molecule COC(=O)Cn1c(C)c(CN2C[C@H]3CCC[NH+]3C[C@H]2C)c2ccccc21 to increase its MR value.,COC(=O)Cn1c(C)c(CN2C[C@H]3CCC[NH+]3C[C@H]2C)c2ccccc21,102.28170000000007
+74778,Please optimize the molecule O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCCCC1 to have a higher MR value.,O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCCCC1,86.12650000000004