| smiles,is_solved |
| Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O,False |
| C#CCOc1cc(-n2nc3n(c2=O)CCCC3)c(Cl)cc1Cl,True |
| CC(C)(C)c1cc(CC2SCNC2=O)cc(C(C)(C)C)c1O,True |
| O=C1C(C(O)COc2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1,True |
| O=Cc1cccc(Oc2ccccc2)c1,True |
| COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O,False |
| N#Cc1ccc(N2CCN(C3CCC4(CC3)OCc3ccccc34)CC2)cc1F,True |
| CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-],False |
| CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,False |
| C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1,True |
| CCOCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21,False |
| O=C(O)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1)c1cccnc1,False |
| COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(C2)CC31,False |
| O=C(Nc1cccc(-c2cccc(CO)c2)c1)c1ccccc1,True |
| CC(C)(C)c1cc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(C(F)(F)F)cc1)C(O)CC1(CCC1)C2,False |
| COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1,False |
| O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1,True |
| Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)/C2=C\F)c(=O)n1,False |
| O=C(NC(c1ccccc1)C(O)C(=O)O)c1ccccc1,True |
| [H]C(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1,True |
| C#CC,True |
| Cn1nnc2ccc([C@H](c3ccc(Cl)cc3)n3cncn3)cc21,False |
| Cn1nnc2ccc(C(O)c3ccc(Cl)cc3)cc21,True |
| CNc1cc(C(=O)O)ccc1N,True |
| CC(N)C(=O)NC(CCC(N)=O)C(=O)O,True |
| CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12,True |
| NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc21,True |
| O=C(O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCCC1,False |
| O=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)N1CCCC[C@@H]1CCO,False |
| CC1(C)C(C=C(Cl)Cl)C1C(=O)O,True |
| O=C(/C=C/c1c(-c2ccccc2)nn2ccccc12)N1CCCC[C@@H]1CCO,False |
| CCOC(=O)/C=C/c1c(-c2ccccc2)nn2ccccc12,True |
| O=Cc1cccc(Oc2ccccc2)c1,True |
| CCCCOC(=O)/C(C)=C/c1ccc(C)cc1,True |
| O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1,True |
| COC(=O)C(c1ccccc1)C1CCCCN1,True |
| c1c[nH]nn1,True |
| COc1ccc2c3c1O[C@H]1CC(=O)C=C[C@@]31CCN(C)C2,False |
| CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,False |
| CCOC(=O)C1=CC2OC(CC)(CC)OC2C(OS(C)(=O)=O)C1,False |
| Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)cc1,True |
| CC[C@]1(c2ccc(N)cc2)CCC(=O)NC1=O,False |
| CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1,True |
| Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,True |
| CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1,False |
| CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,False |
| c1ccc2c(N3CCNCC3)nsc2c1,True |
| NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](COc2ccc(F)cc2)O1,False |
| CC(C)(C)C(O)CN1CCCCC1,True |
| O=C1CCCCC(=O)C1,True |
| O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,True |
| CCCCC(C(=O)NC1CCCCC1)N1C(=O)C(Cc2ccccc2)NC(=O)C1C(C)C,True |
| COc1ccc(C/C(O)=C2\C(=O)C(Cc3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc1,False |
| CC(C)C(C(=O)O)N1C(=O)C(Oc2ccccc2)C1c1ccccc1,True |
| NC(=O)Cc1ccc(OCCNCC(O)c2ccccc2)cc1,True |
| COc1ccc2[nH]cc(CCNC(C)=O)c2c1,True |
| Cc1cc(N2CCCC2=O)ccc1-c1ccc(C(=O)O)cc1,True |
| CC(C)(C)NC(=O)C1CN(C(=O)OC(C)(C)C)CCN1,True |
| CN1Cc2cc(C(=O)N3CCC(C4CCNCC4)CC3)ccc2N[C@@H](CC(=O)O)C1=O,False |
| CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,True |
| CC12CCC(=O)C1CC2,False |
| CC1(O)CCC2(C)CCC12,False |
| CC1(O)CCC2(C)CCC12S(=O)(=O)c1ccccc1,False |
| COc1ccc2cc(CCC(C)=O)ccc2c1,True |
| NN1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1,True |
| c1ccc([C@@H]2CCN(C[C@H]3CCCc4c3ccc3c4OCO3)C2)cc1,False |
| CC(=O)c1c(-c2ccccc2)nn2ccccc12,True |
| COC(=O)c1c(C)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CBr)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1,False |
| NC(=O)Cc1ccc(O)cc1,True |
| CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(=O)O)CCC32)C1,False |
| CCC1CC(=O)C=CC1(OC)OC,True |
| COc1ccc2[nH]c(C(=O)O)cc2c1,True |
| CCCc1nc2c(C)ccnc2n1Cc1ccc(-n2c(C)ccc2-c2nnn[nH]2)cc1,True |
| CCOC(=O)c1ccc(-n2c(C)ccc2C#N)cc1,True |
| O=C(O)c1cc(F)c(F)cc1F,True |
| CCOC(=O)C(Cc1ccc(OC)cc1)NC(=O)C1(NC(=O)C(SC(C)=O)C(C)C)CCCC1,True |
| COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3,False |
| O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1,True |
| c1cnc2c(c1)C(Cc1ccncc1)(Cc1ccncc1)c1cccnc1-2,False |
| CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C,False |
| Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)C(NC(=O)Nc1cccc(Cl)c1)CC2c1ccccc1,False |
| CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C,False |
| Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O,False |
| Nc1ncnc2c1ncn2[C@H]1CC[C@@H](O)C1,True |
| CCC(C)C(C(=O)O)n1sc2ccccc2c1=O,True |
| COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1,True |
| O=C(NC(c1ccccc1)C(O)C(=O)O)c1ccccc1,True |
| COc1ccc2c(c1OC)CCCC2=O,True |
| Clc1cc(-c2ccc3ccccc3c2)nc2ccccc12,True |
| Cc1ccc2oc(N[C@@H](CC3CCCCC3)c3ccccn3)nc2c1,False |
| CC(C#Cc1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O,True |
| COC(=O)c1cc(CCc2cc(OC)ccc2OC)ccc1O,True |
| CN1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(Cl)cc3c1OC(C)(C)C3)C2,True |
| O=C(O)CCc1cc(CCN=S(=O)([O-])c2ccc(Cl)cc2)cc(Cc2ccc(F)cc2)c1,False |
| CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1,True |
| COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1,True |
| CCCN(CCC)CCc1cccc2c1CC(=O)N2,True |
| CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3CCC21C,True |
| CCNC(=O)C1CC(N)C2OC(C)(C)OC12,False |
| O=c1cccc(C(F)(F)F)[nH]1,True |
| CC(CO)CC(=O)OC(C)(C)C,True |
| CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C,True |
| CCCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccccc1C,True |
| CCCC(=O)c1cnc2c(O)cccc2c1Nc1ccccc1C,True |
| CC(C)NC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1,True |
| CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1,True |
| CC(C)CN(CC(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)NC(C)(C)C,True |
| c1ccc2c(c1)c1c(N3CCCC3)nc(N3CCCC3)nc1n2CCN1CCOCC1,True |
| CCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1,False |
| CC(C)C[C@H](CN)CC(=O)O,True |
| CCNc1cccnc1N1CCNCC1,True |
| C[C@H]1C[C@@](O)(c2csc(Sc3ccc4c(c3)CC(=O)N4C)c2)CCO1,False |
| NCC(O)c1ccccc1,True |
| COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1,False |
| CCCCCCCCCCCO,True |
| CC(=O)Nc1c(N)[nH]c(=O)n(C)c1=O,True |
| C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C,False |
| CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,False |
| CC(=O)OCc1nccc(OCC(F)(F)F)c1C,True |
| CCOC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C12CCCCC2,False |
| Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br,True |
| N#Cc1cc(O)cc(Cl)c1,True |
| O=C1NCc2c(N3CCNCC3)cccc2N1Cc1cccc(F)c1,True |
| CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(Cc1cc(C(=O)O)cs1)C[C@H]2c1ccc(C#N)cc1,False |
| CC12CCC3c4ccc(O)cc4CC(CCCCCCCCC[S+]([O-])CCC(F)(F)C(F)(F)F)C3C1CCC2O,False |
| C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O,False |
| O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)C3CCCC3C(=O)O)cc2)cc1,True |
| O=S(=O)(NC(CO)C(c1cc(F)cc(F)c1)C(F)(F)F)c1ccc(Cl)s1,False |
| COc1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2,True |
| COc1ccc(Br)c(CCNCC(OC)OC)c1,True |
| Cc1ccc(C(=O)c2ccc(CC(=O)NCC(=O)O)n2C)cc1,True |
| Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1,True |
| CCCCCCCCc1ccc(C2CCC(N)(CO)C2)cc1,True |
| CC(C)(C)OC(=O)Nc1ccc(-c2csc3ccnc(N)c23)cc1,True |
| N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F,True |
| CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(COC(=O)/C=C/c4cc([O-])ccc4NC(=O)/C=C/C(=O)O)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,False |
| C1CC2CNCC1O2,True |
| COC(=O)c1cc(O)c2cc(C)oc2c1,True |
| Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,True |
| Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,True |
| Cc1cc(COc2ccc([C@]3(N)CCN([C@H](CC(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1,False |
| CN1Cc2cc(Br)ccc2CC1=O,True |
| Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,True |
| Cc1nc2c(O)cc(C(=O)N(C)C)cc2n1C,True |
| COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,True |
| CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12,True |
| CC(C)[C@]1(C)SC(=N[C@H]2C[C@@H]3CC[C@H]2C3)NC1=O,False |
| O=C(O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1,False |
| CC(C)(C)OC(=O)N1CCCC1COc1ccc(Oc2ccc(Cl)cc2)cc1,True |
| O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1,True |
| CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)C(=NC(C)=O)[C@H](C)[C@@H](OC/C(=N\OCc3ccc(-n4cccn4)nc3)CO2)[C@]1(C)O,False |
| N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2,False |
| CCCC(C)CO,True |
| O=S(=O)(NC(CO)C(c1cc(F)cc(F)c1)C(F)(F)F)c1ccc(Cl)s1,False |
| CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,False |
| COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1,True |
| Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1,True |
| CC(=O)c1cc(C(=O)Nc2cc(Cl)c3c(c2Cl)CNCC3)ccc1OC(C)C,True |
| Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,False |
| Nc1ccc(CCNc2nc(Nc3ccc(CCNc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)nc(Nc3cccc(N)c3)n2)cc1,True |
| C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1(C)CCN(c2cc(C(=O)O)ccn2)CC1,False |
| CC(C)(C)OC(=O)NC1CCC(C(=O)O)CC1,True |
| C#CCOc1cc(NC(=O)Cl)c(Cl)cc1C(=O)OC,False |
| O=C(O)C1C/C(=C2/CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1,False |
| CC(=O)Nc1ccc(O)cc1OCC(C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1,True |
| C[C@H]1C[C@@](O)(c2csc(Sc3ccc4c(c3)CC(=O)N4C)c2)CCO1,False |
| Cc1ccsc1-c1nc(-c2c(F)cccc2Cl)nn1C,True |
| Cc1c(Br)csc1-c1nc(-c2c(F)cccc2Cl)nn1C,True |
| C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)O)c4O)[C@@H]2C[C@@H]1CC3,False |
| COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C,True |
| CNCC(O)C(c1cccc(F)c1)N1C(=O)C(C)(C)c2cccc(F)c21,False |
| CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,True |
| NC(=O)N1c2ccccc2CC(=O)c2ccccc21,True |
| O=c1[nH]cnc2c(CN3C[C@H](CO)[C@@H](O)C3)c[nH]c12,False |
| O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)cc1,True |
| Cc1cc(Oc2c(C3CC3)nn(CS(C)(=O)=O)c2C)cc(C)c1C#N,False |
| CC1(C)C2CC(CCO)C(N)C1C2,True |
| CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1,False |
| Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCOCC3)nncc2c1,True |
| CNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1,True |
| CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C,False |
| CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,True |
| NS(=O)(=O)c1ccc(-c2ccc(OCC(O)CCc3cccnc3)cc2)s1,True |
| CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1,False |
| C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F,True |
| CC(C)C[C@H](CN)CC(=O)O,True |
| O=C(Cc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccccc3)=C(CO)CSC12,True |
| Cc1c(-c2ccc3c(c2)CN(C(C)C)C3=O)nnn1-c1ccc(F)cc1F,True |
| Nc1nc(OC2CCNCC2)ncc1F,True |
| CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C,True |
| C=CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1,False |
| N#Cc1cc(N)c(N)cc1C(F)(F)F,True |
| O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1,True |
| CN(C/C=C(/c1ccc(-c2ccco2)cc1)c1ccsc1)CC(=O)O,True |
| C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CC[C@@H](C(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-])CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,False |
| Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc(C(C)NC(=O)C(C)(O)C(F)(F)F)c(F)c2)no1,True |
| COC(=O)C(CNC(=O)c1ccccc1)C(C)=O,True |
| Cc1cc(COc2ccc([C@]3(N)CCN([C@H](CC(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1,False |
| O=C1NCCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2N1,True |
| NC(Cc1cc(F)c(F)cc1F)C1CC2CCC(C1)N2C(=O)CS(=O)(=O)N1CCOCC1,True |
| CC(C)(C)OC(=O)N1CC=CC1,True |
| CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN([C@H](CCC(=O)O)C(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1,False |
| C=Cc1ccc(S(=O)(=O)CCO)cc1,True |
| C1Cc2[nH]nc(-c3nnn[nH]3)c2C1,True |
| CNCC[C@H](Oc1cccc2ccccc12)c1cccs1,True |
| CCC(Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O,True |
| COc1ccc2c(OC)cccc2c1,True |
| CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1,False |
| CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1,False |
| Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,False |
| CC(=N)NC/C=C\CCC(C)(N)C(=O)O,True |
| C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1,False |
| CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,True |
| CCC(CO)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(=O)OC,True |
| FC(F)(F)c1cc(CCl)cc(C(F)(F)F)c1,True |
| C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,True |
| CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1,False |
| CCC(C)C(CC)C(=O)O,True |
| CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1C(=O)O,True |
| CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,True |
| Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(S(=O)(=O)c3cc(F)cc(F)c3)cc12,True |
| Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C(F)(F)F)nncc2c1,True |
| Cc1ccc(C(=O)O)cc1B(O)O,True |
| CC(Oc1nncc2cc(Cl)ccc12)C(F)(F)F,True |
| Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)[nH]c2=O)cc1,True |
| O=C(C1CCOCC1)C1CN(Cc2ccccc2)CCO1,True |
| NC(CCO)CCO,True |
| C/C(=N\c1ccc2c(c1)C(NC(=O)c1ccc(-c3ccccc3)cc1)C(O)C2)N(C)Cc1ccc(F)cc1,False |
| Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(NCC(O)COC4CN(c5c(F)cc6c(=O)c(C(=O)O)cn(-c7nc(N)c(F)cc7F)c6c5Cl)C4)c(Cl)c32)c(F)cc1F,True |
| C/C(=C1\c2ccc(Br)cc2COc2ccccc21)c1cccc(N)c1,False |
| Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3F)nc2C)ccc1OC(C)(C)C(=O)O,True |
| Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1,False |
| CCOc1ccc(CCNC(=O)COc2ccc(CC(OC)C(=O)O)cc2)cc1,True |
| COCCOc1cc(Cn2c(C(=O)O)c(-c3ccc(C(C)(C)C)cc3)c3ccccc32)cc(OCCOC)c1,True |
| O=C([N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl,False |
| Cc1ccc2c3c(ccc2n1)OCC(CNCC(C)Cc1c[nH]c2ccc(F)cc12)O3,False |
| CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,False |
| NC(=O)CN1C(=O)Cc2cc(Cl)ccc21,True |
| COc1ccc2ncc(F)cc2c1,True |
| COCc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2C2CCCN2C(C)=O)cn1.O.[He],False |
| Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F,False |
| Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,True |
| COc1cc(C(=O)N2C(c3nccs3)C(CC(=O)O)CC2(CC(C)C)C(=O)O)ccc1C(C)(C)C,False |
| Cc1ccccc1C(=O)CCc1c(C(=O)N(C)C)cc2c(nc(C)n2C)c1O,False |
| Cc1nc2c(O)cc(C(=O)N(C)C)cc2n1C,True |
| Cc1ccccc1C(=O)C1COc2c(c(C(=O)N(C)C)cc3c2nc(C)n3C)C1,False |
| CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1,True |
| CCOc1cccc(-n2cc(C(=O)O)nc2-c2ccc(C)cc2)c1,True |
| COC(=O)c1cc(N2CCNCC2)cc2ccccc12,True |
| COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1,True |
| CC1(C)OB(c2cc(Cl)ccc2OCc2ccc(Cl)cc2F)OC1(C)C,True |
| Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,True |
| CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,False |
| CN(C)C(=O)C(=O)N(C)C1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O,False |
| Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,False |
| CCCOc1ccc2cc(CCC(C)(N)CO)ccc2c1,True |
| CCN1c2ccc(C(C)=O)cc2N=C(c2ccc(C(=O)O)cc2F)c2cc3c(cc21)C(C)(C)CCC3(C)C,True |
| COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12,True |
| COC(=O)NCC1CN(c2cc(F)c3c(c2)CC(=O)N3C)C(=O)O1,True |
| Fc1ccc2c(c1)c(OCC1CCCNC1)nn2-c1ccccc1F,True |
| O=S1(=O)CCC(O)CC1,True |
| O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,True |
| Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1,False |
| NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21,False |
| Cc1nccn1-c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1,True |
| CC(C)c1c(C(=O)NCc2ccccc2)nc(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O,True |
| Cc1cc(COc2ccc(S(=O)(=O)NC3CCCC3C(=O)NO)cc2)c2ccccc2n1,True |
| O=C(O)C[C@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)[C@H]1CNc2ccccc2C1,False |
| CC(C)(N)c1ccc(-c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2C#N)cc1,True |
| CC(C)(CO)NCC(=O)N1CC(F)CC1C(=O)c1nnc(C(C)(C)C)o1,False |
| CCN1c2ncc(CCOc3cc[n+](O)c4ccccc34)cc2C(=O)N(C)c2cccnc21,False |
| COc1cc(C(=O)NCC(NS(=O)(=O)c2ccccc2)C(=O)O)ccc1N1CCC(NC2=NCCCN2)CC1,True |
| C[C@@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12,False |
| Cc1cc2cc(N/C(=N/C(=O)c3ccc(C(=O)N(C)C)nc3)NC3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1,False |
| COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2,True |
| CC(C)(C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,True |
| Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1,False |
| Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1,False |
| COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1,True |
| O[C@H]1[C@H]2[C@H](O)CCCN2C[C@H]1O,False |
| COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,True |
| CCS(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1N1CCN(C)CC1,True |
| CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1,False |
| COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2,True |
| Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,False |
| COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1,True |
| N#CC(NCCC1=CCCC=C1)c1ccc(Br)cc1,True |
| COc1ccc(C(OC2C(OC(=O)CCC(=O)O)C3OC2C2C(=O)N(c4ccccc4)C(=O)C32)(c2ccccc2)c2cccc(OC)c2)cc1,False |
| Cc1ccc(N2CCN(C)CC2)c2c1CC[C@@H](NC(=O)c1ccc(N3CCOCC3)cc1)C2,True |
| CCN1CCC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O,False |
| OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C(O)N1CCCCCOCC12CC3CC(CC(C3)C1)C2,False |
| CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,False |
| CC(C)C(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,True |
| CC(C)(C)P(c1ccnn1-c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1)C(C)(C)C,False |
| COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2n1,True |
| [H][C@]12CCN(CCC3(C(=O)O)CCCCC3)C[C@]1([H])[C@@H](C)c1c([nH]c3ccc(C(F)(F)F)cc13)C2,True |
| COc1ccc(-n2nc(CC(C(=O)O)c3cccc(C)c3)cc2-c2ccc(Cl)c(Cl)c2)cc1,True |
| CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O,True |
| Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,True |
| NC(=CC(=O)CC1CCC1)[C@@H](COCc1ccccc1)NO,False |
| COC(=O)C(N)C(CC(F)(F)F)CC(F)(F)F,False |
| CC(C(=O)O)N(C)CCCC1(c2ccc(Cl)cc2)CCc2cc(Cl)ccc21,False |
| O=C(NCCN1CCCCC1)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3OC(CO)C(O)C3O)c2n1,False |
| CC1CCN(CCC(c2ccccc2)c2cc(F)cc(F)c2)CC1,True |
| CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1,False |
| CC(C)(C)NC(=O)c1ccc(C(F)(F)F)nc1CC(O)C(N)Cc1cc(F)ccc1F,True |
| Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1,False |
| CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1,True |
| CC(C)C[C@H](CN)CC(=O)O,True |
| CC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(-n3ccnc3)c2)s1,True |
| CSCC[C@H](NC(=O)c1cc(NC[C@@H]2C[C@H](SC(=O)c3cccnc3)CN2)ccc1CCc1ccc(F)cc1)C(=O)OC(C)C,False |
| COC(=O)c1coc(C)n1,True |
| Cn1c(Br)cnc1C1CC1,True |
| CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC,False |
| COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@](C)(C(F)(F)F)OCC2,False |
| CN(C)C(=O)Sc1ccccc1,True |
| CSc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1,True |
| Cc1ccc2c3c(ccc2n1)OCC(CNCC1CCc2[nH]c4ccc(F)cc4c2C1)O3,True |
| O=C1C(Cl)=C2c3ccc(O)c(Cl)c3CC23CCC1C3,False |
| CC(=O)Nc1ccc(/C=C/c2ccccc2)cc1[N+](=O)O,False |
| Cc1cc(CNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O,True |
| COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1[nH]c(C)cc1C,False |
| OC1COC2OCCC12,True |
| COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C,False |
| Fc1cccc2cccc(N3CCNCC3)c12,True |
| CCCCCC1c2ccccc2-c2ccccc21,True |
| N#Cc1ccc(OC2CCCCC2C#N)cc1C(F)(F)F,True |
| CCCCCC12CCC(=O)C(Br)=C1c1cc(F)c(O)c(Cl)c1C2,True |
| OCc1nc(-c2ccc(C(F)(F)F)cc2)ns1,True |
| COC(=O)c1ncc(Cc2ccc(F)cc2)cc1N,True |
| CN(C)CC1CC1c1c[nH]c2ccc(C#N)cc12,True |
| O=C1C=CC(=O)N1c1ccccc1SCCSc1ccccc1N1C(=O)C=CC1=O,True |
| CC(C)Oc1ccc(-c2cc3c4c(c2)C2CNCCC2N4CCCO3)c(C(F)(F)F)c1,False |
| CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C,False |
| O=C(/C=C(\O)c1ncn[nH]1)c1ccc(Cc2ccc(F)cc2)o1,False |
| O=C(/C=C(\O)c1ncn[nH]1)c1ccc(Cc2ccc(F)cc2)o1,False |
| Cc1c(Br)cnc(N)c1[N+](=O)O,False |
| Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1,False |
| CC(C)(C)OC(=O)N1CC(F)(F)C(C)(C)C1C(=O)O,False |
| Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,True |
| Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12,True |
| COC(=O)/C=C/c1cc(F)cc2c(C)c[nH]c12,True |
| CC1CCCN1CCc1ccc2cc(-n3ncccc3=O)ccc2c1,True |
| COC(=O)C(Cc1cccc(O)c1)NC(C)=O,True |
| CC.CC.NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(C3CCCO3)CSC12,False |
| C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12,False |
| *c1cc(C)cc(C)c1NC(=O)CN1CCN(C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(Cc3ccccc3)C2)CC1,False |
| CCCc1c(Cl)ncnc1Cn1ccnc1-c1ncccc1F,True |
| CCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1,True |
| COc1ccc2c(Oc3ccc(C)cc3)csc2c1,True |
| COc1ccc(N2CCOCC2)cc1[N+](=O)[O-],True |
| c1ccc(CCN2CCC3CCNC3C2)cc1,False |
| C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12,False |
| COc1c(N2CCC(C(C)N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12,True |
| CC(=O)NCC1CN(c2ccc(I)cc2)C(=O)O1,True |
| Oc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21,False |
| NC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21,True |
| COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,True |
| C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,True |
| Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1,True |
| Nc1ncnc2[nH]cc(-c3cccc(OCc4ccccc4)c3)c12,True |
| COC(=O)C1CC(OS(C)(=O)=O)C1,True |
| Cc1[nH]c2ccccc2c1CCN,True |
| COc1ccc2c(c1)CCNC2,True |
| O=C1CCC2CC12,True |
| COC(=O)c1cccc(N)c1NCc1ccc(-c2ccccc2C#N)cc1,True |
| Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)[nH]c2=O)cc1,True |
| CC1CN(C(=O)COc2ccc(Cl)cc2CS(=O)(=O)O)C(C)CN1Cc1ccc(F)cc1,False |
| C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1,False |
| COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,True |
| CC(C)(C)C(=O)Oc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)C1=C2COc2cc(OC(=O)C(C)(C)C)ccc21,False |
| CCCN1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1,True |
| COc1c(-c2ccnc(C)c2)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12,False |
| COc1ccc(F)cc1C(C)(C)CC(O)(CS(=O)c1ccc(C)cc1)C(F)(F)F,True |
| COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC,False |
| CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,False |
| CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,False |
| CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1,True |
| Cc1cc(NC(=O)C(=O)c2cc(Cc3ccc(C#N)cc3)n3ccccc23)sn1,True |
| CNC(=O)c1cccc(Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1,True |
| CC(C)(C)N1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccc(F)cc3F)n2)CC1,False |
| COc1ccc(N2CCN(Cc3nc(-c4ccc(C(F)(F)F)cc4)sc3CSc3ccc(C(C)(C)C(=O)O)cc3)CC2)cc1,True |
| C=Cc1cn(CCC(=O)OCC)nn1,True |
| CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(F)c(F)cc3nc2-1,False |
| Cn1nccc1-c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1,True |
| NCc1ccc(C(=O)O)cc1,True |
| C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,False |
| CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,False |
| COC(=O)C1CNC2Cc3c[nH]c4cccc(c34)C2C1,False |
| COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,True |
| CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3,False |
| CC(C)(CO)C(=O)SCCOP(=O)(NCc1ccccc1)OC[C@H]1O[C@@H](N2C=NC3C(=O)NC(N)=NC32)[C@](C)(O)[C@@H]1O,False |
| CC(C)(NC(=O)OC1CN2CCC1CC2)c1csc(-c2ccc(F)cc2)n1,True |
| CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,True |
| O=C(CO)N1CCc2nc(Nc3ncc4c5ccncc5n(C5CCCCC5)c4n3)ccc2C1,False |
| Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,True |
| CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1,True |
| NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1,False |
| CN1CCCCC1CCc1ccccc1NC(=O)/C=C/c1ccccc1,True |
| Nc1ccc2c(c1)c(=O)oc1cc(O)ccc12,True |
| COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O,True |
| NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1,False |
| CCOC(=O)C1(COC(=O)Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)c(C(=O)N(C)C)c2)c2ccccc2C(=O)N1C,False |
| CC1=CCC[C@@]2(C)CCC3=C(C)CC[C@@H](C(=O)[C@H]12)C3(C)C,False |
| C=C1c2[nH]c3ccccc3c2CN2CC[C@H]1/C(=C\C)C2,False |
| COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(CCNC(=O)c3ccc(F)cc3)C1)CC2,False |
| COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2cc(C)cc(C)c2)cc1,True |
| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,False |
| CC1CC(=O)c2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21,False |
| CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1,False |
| COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1,False |
| CC(C)(C)OC(=O)NC1CC2CCCC2(C(=O)O)C1,False |
| OC(c1ccccc1)C1CCCCN1,True |
| O=C(N[C@@H](c1ccccc1)[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1Cl,False |
| CCOC(=O)C1C2C(=O)N(Cc3ccccc3)C(=O)C12,True |
| CN1CC(C(=O)Nc2ccc(Cl)cc2)C(c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1,True |
| Nc1ccc(S(N)(=O)=O)cc1,True |
| N#Cc1ccccc1-c1ccc(C=O)cc1,True |
| N[C@@H](Cc1cc(I)c(Oc2ccc(OS(=O)(=O)[O-])c(I)c2)c(I)c1)C(=O)[O-],False |
| CCCC(NC(=O)C1CC2(CC(c3cc(C)c(OC)c(C)c3)=NO2)CN1C(=O)C(NC(=O)CC1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1,True |
| NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1,False |
| CC(C)(C)C[C@H]1C[C@@H](c2cc(=O)[nH]o2)CCN1,False |
| CC#C[C@H]1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,False |
| COc1ccc(N(C(=O)N(C)c2ccccc2)C2C=CCCC2)cc1,True |
| NC(=O)c1cn(Cc2c(F)cccc2F)nn1,True |
| O=C(O)C1CNCCCO1,True |
| COC(=O)C1CNC(=O)CCO1,True |
| C#CCN[C@@H]1CCc2ccccc21,True |
| CCC(N)c1ccnc(S(C)(=O)=O)c1,True |
| Cc1ccc(C)c2[nH]c(C(C)N)nc12,True |
| CC(C)(C)c1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)O)cc1,True |
| NC1C(O)C(N)C(O)C(N)C1O,False |
| CC1CC(=O)C=CO1,True |
| C=CC(=O)CC(C)O[Si](C)(C)C(C)(C)C,True |
| O=C(NCc1cc(Cl)ccc1-n1cnnn1)C1CC=NN1C(=O)C(O)c1ccc(F)cc1,False |
| Cn1cc(C(=O)O)c(C(F)F)n1,True |
| CCOC(=O)c1cn(C)nc1C(F)F,True |
| CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,False |
| CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1Cl,False |
| CCOCC(CC(C)C)NC(=O)C1CNCC(C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1O,False |
| Cn1nc(C=O)c(Cl)c1C(=O)NCc1ccc(C(C)(C)C)cc1,True |
| Cc1noc(C)c1-c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(O[C@H]2CCNC2)c1,False |
| Cc1noc(C)c1-c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(OC2CCN(C(=O)OC(C)(C)C)C2)c1,True |
| CCOC(=O)c1cn(C)nc1C(F)F,True |
| C#CC(OCC)(OCC)C(OCC)OCC,True |
| C=CC1COC(=O)C1,True |
| CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1,True |
| O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1,True |
| O=c1[nH]c2sccc2c2ccccc12,True |
| CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CN(C(C)C)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O,False |
| N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,True |
| CC(C)(C)OP(=O)(OCCl)OC(C)(C)C,False |
| CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C,False |
| O=C1NCC(COc2ccon2)O1,True |
| CC=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1,False |
| O=C1C(C(F)(F)F)=C2c3ccc4[nH]nnc4c3CC23CCC1C3,False |
| CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1,False |
| CC(C)(CO)C(=O)SCCOP(=O)(NCc1ccccc1)OCC1OC(n2ccc(N)nc2=O)C(C)(O)C1O,False |
| CS(=O)(=O)c1ccc(C(OP(=O)(O)O)C(CF)NC(=O)C(Cl)Cl)cc1,True |
| O=C1C(O)=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21,False |
| C1CC1NC1CC1,True |
| CC(=O)NCC1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1,True |
| c1ccc(-c2cn[nH]c2)nc1,True |
| Nc1n[nH]cc1-c1ccccn1,True |
| O=[N+]([O-])c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1,True |
| Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2CC1CCC(C(=O)O)CC1,False |
| Cc1nn(-c2ncccc2CO)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12,False |
| COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)cc3o2)cc1,True |
| COc1cc(O)c(C(C)=O)c(OC)c1O,True |
| COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1,False |
| O=C(Nc1cnccn1)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1,True |
| CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,False |
| CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O,False |
| COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)c2c1C(C)(C)CO2,True |
| COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1,True |
| C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nccc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1,False |
| COc1cc2ccnc(Cl)c2cc1Br,True |
| CC(C)(C)OC(=O)NNCc1ccc(-c2ccccn2)cc1,True |
| CN1CCC(N2C(=O)S/C(=C\c3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)C2=O)C(F)C1,False |
| O=Cc1ccc2c(cnn2Cc2ccc(Cl)cc2C(F)(F)F)c1,True |
| Cn1ncc2cc(Oc3ccc([N+](=O)[O-])cc3F)c(Br)cc21,True |
| Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1,True |
| C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1,True |
| COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3,False |
| NC(=O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)c(C(F)(F)F)c1,True |
| CCOC(OCC)C(=O)c1ncc(C(N)=O)cc1C(F)(F)F,True |
| Nc1nccc(Nc2ccc(C(F)(F)F)cn2)c1N,True |
| CC(C)c1cccc(C(C)C)c1O,True |
| CC(C)N(/C=C(/C(=O)O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C,False |
| COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC,False |
| CCCNC(c1ccccn1)C(NCCC)c1ccccn1,True |
| CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1,False |
| CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C,True |
| CC(C)(C)C(NC(=O)OC1CCCC1)C(=O)N1CC(O)CC1C(=O)O,True |
| Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1,True |
| Nc1cc(O)ccc1F,True |
| CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1,False |
| CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,True |
| CC(C)C[C@H](CN)CC(=O)O,True |
| COc1ccc(OC)c2[nH]c(CCCN(C)CC[C@]3(OC(=O)C(C)C)C[C@H]4CC[C@@H]3C=C4c3ccccc3)nc12,False |
| COc1cc2c(cc1OC)C(CCc1ccc(C(F)(F)F)cc1)=NCC2,True |
| CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1,True |
| O=C1C=C[C@@H](O)C1,True |
| CC(C)OC(=O)C(O)Cc1ccc(O)c(O)c1,True |
| Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1,True |
| Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1,False |
| CCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1,False |
| CCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1,False |
| CCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1,False |
| NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12,False |
| CC(C)C(=O)CCC(C=O)c1ccc(Br)cc1,True |
| CC(C)(C)OC(=O)N1CCCC(c2ccc(Br)cc2)C1,True |
| CN(C)CCOc1ccc(CC(NC(=O)c2ccccc2)C(=O)NC(CO)Cc2ccccc2)cc1,True |
| CC1CC2(C=CC(=O)N2c2cccc(F)c2)CCN1,False |
| COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC,True |
| CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c(=O)n(C)c3)c1CO)C2=O,True |
| CC1CNC(c2ccccc2)CO1,True |
| CC1CN(c2ccc3c(n2)NC(=O)CO3)C(c2ccccc2)CO1,True |
| COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cc2)nc(-c2ncccn2)nc1OCCO,True |
| COc1cc2ncnc(Cl)c2cc1OCCCCl,True |
| O=[N+]([O-])c1c[nH]c(Br)n1,True |
| CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1,True |
| COC(=O)c1cnc(Cl)c(I)c1,True |
| O=C(O)CC(O)CC(O)/C=C/c1cnc2c(F)c(F)c(F)cc2c1Sc1ccc(F)cc1,True |
| CC(C)(CN1CCC1)Oc1ccc(N)nc1,True |
| CC1(C)CC(c2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)=NNC1=O,False |
| CC[C@@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O,False |
| Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,True |
| CCCN(CCC)CCc1cccc2c1CC(=O)N2,True |
| CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1,True |
| CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12,False |
| ClCC(Cl)c1ccc(Cl)cc1Cl,True |
| Cc1ccnn1-c1cc(Br)ccc1O,True |
| NC(=O)C(CCC(F)(F)F)NS(=O)(=O)c1ccc(Cl)cc1,True |
| COc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)N3CCC(=C(C#N)c4ccccc4)CC3)c12,True |
| CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O,False |
| CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1,True |
| COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2,True |
| CN1CC2C=C(c3cccnc3)CC(C2)C1,False |
| CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)[O-])[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3NS(=O)(=O)[O-])[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](O)[C@H]1NS(=O)(=O)[O-],False |
| CN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cnc(C(F)(F)F)n4C4CCOCC4)n3)cc2)CC1,True |
| FC(F)(F)c1nccn1C1CCOCC1,True |
| O=C=Nc1ccccc1,True |
| Oc1ccccc1,True |
| CC(C)Oc1ncc(-c2nc(-c3ccc(NC4CCC(C(=O)O)C4)cc3)no2)cc1Cl,True |
| CC(C)Oc1ncc(-c2nc(-c3ccc(OC4CC(C(=O)O)C4)cc3Cl)no2)cc1Cl,True |
| Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1,True |
| Cc1nc2c(CN3CCOCC3)cc(Cl)nn2c1Cc1ccc(Cl)cc1F,True |
| O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1,True |
| CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1,False |
| COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2,False |
| CC(=O)OC1C(CO)OC(n2c(=O)sc3cnc(N)nc32)C1OC(C)=O,True |
| CC(=O)N1CCC(c2ccc(C(=O)NC(=N)N)cc2C(F)(F)F)CC1,True |
| CC(F)(F)CN1C(=O)C2(C)COCCN2c2nc(-c3ccc(NC(=O)NC4CC4)cc3)ncc21,True |
| CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,True |
| Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,True |
| CN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2ccc(F)cc2)CC1,True |
| COc1cc(C(N)=O)ccc1NC(=O)C1NC(CC(C)(C)C)C2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(Cl)c1F,False |
| CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1,True |
| COc1cc(-c2ccccn2)nc(/C=N/O)c1SC,True |
| COC(=O)C(N)Cc1cc(C)c2[nH]ncc2c1,True |
| Cc1cc(/C=C(\O)C(=O)O)cc2cn[nH]c12,True |
| Cc1cc(CC(NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cn[nH]c12,True |
| O=C(O)COc1cccc2c1CCC(O)(COC(=O)N(c1ccccc1)c1ccccc1)C2,False |
| OCC1(O)CCc2c(cccc2OCc2ccccc2)C1,True |
| Cc1c(CC(=O)O)cc2ccc(F)cc2c1Cc1ccc(S(C)(=O)=O)cc1,False |
| Cc1c(CC(=O)OCC(C)C)cc2ccc(F)cc2c1O,False |
| COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3O)[nH]c2c1,True |
| Oc1cc(-c2ccsc2)cc(-c2ccc3c(c2)OCO3)c1,True |
| CCOC(=O)CCCOc1cccc(CCCCCCBr)c1CCC(=O)OCC,True |
| NC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1,True |
| CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1,True |
| Clc1nc(N2CCOCC2)c2sccc2n1,True |
| CC.CC.CS(=O)(=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1,True |
| COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5C=CCCCCN(C)C(=O)N4C3)cc(-c3nc(C(F)(F)F)cs3)nc2c1C,False |
| CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(N)=O)CC1,False |
| O=c1cccnn1-c1ccc2nc(C3CC(N4CCCCC4)C3)sc2c1,True |
| CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1,True |
| Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C3CCOCC3)c2n1,True |
| O=C(c1ccc(OC(F)F)c(C#Cc2ccccn2)c1)N1Cc2cccnc2C1,True |
| c1cnc2c(c1)CNC2,True |
| CN1CCn2nc(Nc3cc(Cl)nn(C)c3=O)cc2C1,True |
| CN1CCn2nc(N)cc2C1,True |
| Cc1ccc(-c2ncccn2)c(C(=O)N2CC(COc3ccc(F)cn3)CCC2C)c1,True |
| SC12CCN(CC1)CC2,False |
| CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CCC(OC(=O)CN)CC4)c3)c2C1,True |
| CCOc1cc2ncc(C#N)c(Cl)c2cc1NC(C)=O,True |
| CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,True |
| CCCCC(C(O)c1ccc2c(Cl)c(OC)ccc2c1)N1CCN(Cc2ccccc2)CC1,True |
| ClCCCCc1ccc(OCCCN2CCCCCC2)cc1,True |
| COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1,False |
| COc1cccc(Nc2ncnn3ccc(CO)c23)c1,True |
| CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12,False |
| Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC(CO)C3)ccc1=O,False |
| Cc1ccccc1-n1nc(C(Br)C(=O)c2ccc(F)cc2)ccc1=O,True |
| CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C(=O)C(C)C)C3)n(C)c2n1,True |
| CNCc1cc(F)c(Cl)cc1Oc1cccc(OC)c1C,True |
| Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,True |
| Cc1ccnn1-c1cc(Br)ccc1O,True |
| Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21,True |
| Cn1cnc2c(c(Cl)c(F)c(=O)n2C)c1=O,False |
| O=C(O)c1ccc(NC(=O)C(CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1,True |
| CC(C)(C)COC(=O)C(CC1CCCC1)n1cnc(C(F)(F)F)c1,True |
| Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,False |
| Cc1cnc(CNC=O)c(N)n1,True |
| CC(C)(C)[Si](C)(C)OC(CC=O)c1ccco1,True |
| CC(C)C(=O)CCC/C=C/C(O)c1ccco1,True |
| CC(C)C(=O)CCC/C=C\CC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O,False |
| O=c1ccoc(CC(O)c2ccccc2)c1OCc1ccccc1,True |
| Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1,True |
| O=C1COc2ccc(Br)cc2N1,True |
| O=C1COc2ccc(CC3CCNCC3)cc2N1,True |
| CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C,False |
| CCOC(=O)c1c[nH]c(C(=O)OCC)c1C,True |
| CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,True |
| OC1CN(Cc2ccccc2)CCC1NCc1ccccc1,True |
| CC(=O)Nc1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O,True |
| N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,True |
| Cc1ccc(-c2cc(N3CCC(C(=O)N4CCN(C)CC4)CC3)ccc2Cl)nc1,True |
| COC1=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O,True |
| CC(NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,True |
| CC#CCOc1ccc(C(=O)NC(C(=O)NO)C(C)(C)N)cc1,True |
| C=CCN(CC=C)C(=O)C1(c2cccs2)CC1CN,False |
| O=C(O)CCCOc1cccc(CCCn2nc(C(c3ccccc3)c3ccccc3)ccc2=O)c1,True |
| S=P(S)(c1ccccc1)c1ccccc1,False |
| O=C(Nc1cnccn1)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1,True |
| CC(C)(C)[Si](OCC(CN)CO)(c1ccccc1)c1ccccc1,True |
| OCC1OC(n2cc(Cc3ccc(C4CC4)cc3)c3c(F)cccc32)C(O)C(O)C1O,False |
| C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[S@@](=O)C3)S[C@H]12,False |
| C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[S@@](=O)C3)S[C@H]12,False |
| Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3ncc(-c4ccc(F)cc4)[nH]3)Cc3c2[nH]c2ccccc32)no1,False |
| Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,True |
| COc1cc(Nc2cc(C)n[nH]2)nc(N2CCCC2c2cc(-c3ncccn3)no2)n1,True |
| NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,False |
| C/C=C/c1cc([N+](=O)[O-])ccc1OC(C)C,True |
| NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1,False |
| NC1(C(=O)O)C2CC3CC(C2)CC1C3,True |
| Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1,True |
| C=C1OC2(CCCCC2)OC1=O,False |
| NC(CC(=O)O)C1CCCCC1,True |
| CC(C)(C)CC(N)CC(=O)O,True |
| CC(C)(O)Cc1ccc(CC(=O)O)cc1,True |
| CC(NC(=O)OC(C)(C)C)C(=O)NC1(c2ccccn2)CC1,True |
| COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1,True |
| O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1,True |
| O=C(Nc1cnccn1)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1,True |
| CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,True |
| CN(C)C(CCOc1cccc2ccccc12)c1ccccc1,True |
| CC1(O)CC(N)(c2ccc(-c3nc4ccc5nnc(C(F)F)n5c4cc3-c3ccccc3)cc2)C1,True |
| CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C,False |
| COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1,True |
| [H]N([H])Cc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C#N)c1,True |
| CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1,True |
| O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,True |
| O=[N+]([O-])c1oc2ccccc2c1C1C=CCCC1,False |
| NCCc1c[nH]c(=S)n1[C@H]1COc2c(F)cc(F)cc2C1,False |
| NC1COc2c(F)cc(F)cc2C1,True |
| O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,True |
| CN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3sccc3c2)C1,True |
| c1cc2ccc3ccc4ccc5ccc1c1c2c3c4c51,False |
| Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,False |
| NC(N)=NC(=O)c1ccc2c(c1)C1(CCCO1)c1ccccc1-2,True |
| O=C(NC(c1ccccc1)C1CC2CCN1CC2)c1c(Cl)ccc(C(F)(F)F)c1Cl,True |
| O=C1OCC(CO)O1,True |
| CCOC(=O)c1cc(C#N)c(Cl)nc1C,True |
| CCOC(=O)c1cc(C#N)c(=O)[nH]c1C,True |
| CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(c5ccccn5)CC4)nc32)[C@H](O)[C@@H]1O,False |
| O=c1[nH]c2ncccc2n1C1CCNCC1,True |
| Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1,False |
| C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2,False |
| O=C1CCOc2ccc(CCOS(=O)(=O)C(F)(F)F)cc21,True |
| COCC(N)C1CC1,True |
| OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1,True |
| Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1,True |
| FC(F)(F)c1cccc(-c2c[nH]c(C3CCNCC3)n2)c1,True |
| C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,False |
| O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl,True |
| CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1,False |
| NCC(=O)C[PH](=O)O,False |
| N#Cc1cc(Cl)cc(Oc2c(Cl)ccc3c2cnn3Cc2[nH]nc3ncccc23)c1,True |
| CNC(=O)c1ccc2c(c1)CC(=O)N2C1CCN(CC(=O)N2CC3CCCC3C2)CC1,True |
| Cc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1,True |
| CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO,True |
| CCN(CC)c1cc(C(=O)O)cc(C)n1,True |
| CCc1cc(/C(N)=N/O)cc(C)c1O,True |
| CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2,True |
| C[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O,False |
| O=C(COc1ccc(C2C(SCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)NCC(=O)NC(CC1CCCCC1)C(=O)[O-],False |
| COc1c(Nc2ncc(Cl)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc2c1CC[C@@H](N1CCOCC1)CC2,False |
| CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21,True |
| OCC(CN1Cc2ccccc2C1)N1CCN(c2n[nH]c3cc(F)ccc23)CC1,True |
| [H]C(CO)(CN1Cc2ccc(F)cc2C1)N1CCC(c2noc3cc(F)ccc23)CC1,True |
| O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1,False |
| CCc1ccc(Cc2cccc(C3OC(O)C(O)C(O)C3O)c2)cc1,False |
| O=C1CC2CCC1C=C2c1ccccc1,False |
| Cc1c(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(C(F)(F)F)c2)ccc(C(=O)O)c1F,True |
| CCC(O)(c1cn(Cc2ccc3c(-c4cccc(F)c4)cc(=O)oc3c2)nn1)C(F)(F)F,True |
| CN(C)CCc1cc2cc(Cn3cncn3)ccc2[nH]1,True |
| C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc([C@@](C)(O)C(F)(F)F)c1,False |
| C/C=C1/CN(C=O)[C@H]2C[C@H]1C(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13,False |
| CS(=O)(=O)c1ccccc1S(=O)(=O)Cl,True |
| CCOc1nc(F)cc2nc(S(=O)(=O)Cl)nn12,False |
| CC(C)C[C@@H](/C=C/[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NC1CC(C)(C)N([O])C(C)(C)C1)C(C)C)NC(=O)OC(C)(C)C,False |
| CONC(=O)N(Cc1ccsc1)C1CCN(C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1,True |
| CC(CC#N)N1CCC(=O)CC1,True |
| Cc1cc(Cl)nc(C)c1C(=O)O,True |
| CONC(=O)Oc1ccc([N+](=O)[O-])cc1,True |
| CSc1cccc(Sc2ccc(C3OC4CC5C6CC(F)C7=CC(=O)C=CC7(C)C6(F)C(O)CC5(C)C4(C(=O)CO)O3)cc2)c1,False |
| [H]C(=O)c1ccc(Sc2cccc(SC)c2)cc1,True |
| O=C(O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1,True |
| C#CCCCC1CC1O,True |
| CCCc1c(OCc2ccc(C(O)c3cccc(C#N)c3)cc2)ccc(C(C)=O)c1O,True |
| CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1,False |
| CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1,True |
| CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1,False |
| CCC[C@@H](C)C[C@H](N)CC(=O)O,False |
| Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1,True |
| Cc1nc2ccc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F,True |
| COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1,True |
| COC(=O)c1ccc(O)c(C2CCCC2(C)C)c1,True |
| NC[C@H](O)C[C@@H]1NC(=O)[C@@H](N)Cc2cc(ccc2O)-c2ccc(O)c(c2)C[C@@H](C(=O)O)NC1=O,False |
| Cc1ncc(CN)c(N)n1,True |
| CCc1noc(C2CN=CNC2)n1,True |
| COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,True |
| CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1,False |
| O=C(O)Cn1nnc(-c2cc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1,True |
| c1ccc(OCC2CCC3CN(c4noc5ccccc45)CCN3C2)cc1,True |
| CCC[C@@H](C)C[C@H](CN)CC(=O)O,False |
| CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,False |
| CC1(C)OB(CC#C[Si](C)(C)C)OC1(C)C,False |
| CC(NC(=O)C1CC1(C)c1ccc(C(F)(F)F)nc1)c1ccc(NS(C)(=O)=O)c(F)c1,True |
| Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21,True |
| C[C@H](NS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(OC(F)(F)F)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(N)=O,False |
| CN1C[C@@H]2C(CN(Cc3ccc(F)c(Cl)c3)C(=O)c3cn(C)cn3)[C@@H]2C1,True |
| Cn1nccc1-c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1,True |
| O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCCC3)CCN(C3=NC4C=CC(C(F)(F)F)=NC4S3)CC2)c1,False |
| [H]n1c(C(N)=O)c(Sc2cccc(F)c2)c2ncccc21,True |
| COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(=O)O)CC3)C(=O)N(CC(C)(C)COC(C)=O)c3ccc(Cl)cc32)c1OC,False |
| CCC[C@@H](C)C[C@H](N)CC(=O)O,False |
| CC(C)[C@H](N)C(=O)O[C@@H](C)C(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1F,False |
| CC(C)NCC(O)COc1cccc2ccccc12,True |
| COCCc1ccc(OCC(O)CNC(C)C)cc1,True |
| Cc1cc(Oc2c(C3CC3)nn(CS(C)(=O)=O)c2C)cc(C)c1C#N,False |
| Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1,True |
| O=C1CC2CCC1C=C2c1ccccc1,False |
| C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,True |
| CC1CCCC(C)N1Cc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc1,True |
| OCC1C(O)C(O)C(O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2,True |
| CC(C)n1nc2c(c1-c1ccc(F)cc1)CCNCC2,True |
| CC1(C)C=Cc2c(ccc3c2OC[C@@]2(O)c4ccc(O)cc4O[C@@H]32)O1,False |
| COC(=O)Cc1cccc(CC(C)(C)N)c1,True |
| CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1,False |
| COCCCc1cc(CN(C(=O)C2CNCCC2c2ccn(C)c(=O)c2)C2CC2)cc(Br)c1C,False |
| CC(=O)CCc1ccccc1,True |
| CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C)Cc1ccc(Br)cc1,True |
| C=CCC(N)(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1,False |
| CCOC(=O)C(NC(=O)OC(C)(C)C)C(O)c1ccccc1,True |
| CCOC(=O)[C@H](Cc1ccc(OC)cc1)OCC,True |
| NC(CC(=O)O)c1ccccc1,True |
| c1ccc(CNC2CCCCC2NCc2ccccn2)cc1,True |
| Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)C3=CN(C)C=CC3)O2)c(=O)[nH]c1=O,False |
| CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1,True |
| NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12,True |
| CC1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12,True |
| C1CC1NC1CC1,True |
| CCS(=O)(=O)c1ccc(Oc2cc(O[C@@H](C)CO)cc(C(=O)Nc3ccn(C)n3)c2)cn1.CS(=O)(=O)O,True |
| Cc1cc(O)cc(C)c1CC(N)C(=O)O,True |
| COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O,True |
| COC[C@]12CNCC[C@@]1(c1ccc(Cl)c(Cl)c1)C2,False |
| C=CC1CC1(N)C(=O)O,True |
| Nc1ccn(C2COC(CO)S2)c(=O)n1,False |
| CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C,False |
| Nc1ccsc1-c1ccc(Cl)cc1,True |
| CC(O)C1(c2cc(F)ccc2F)CO1,True |
| Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccccc1,True |
| COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](N3C[C@@H](CF)CC3=O)CN1CC2,False |
| O=C1CC(CF)CO1,True |
| C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,True |
| CCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)CO)s2)cc1C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F,True |
| CN(C)CCN(C)C1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1,False |
| Cc1nc(C#Cc2ccccc2)c(C)n1-c1ccc(F)cc1,True |
| COC(=O)C1C2C1S(=O)(=O)CC2(N)C(=O)OC,False |
| Nc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O)ns1,True |
| O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2,True |
| FC(F)OC(Cl)C(F)(F)F,False |
| C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1[NH2+]2,False |
| CCc1cccc2c(CCO)c[nH]c12,True |
| CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1,True |
| CC#CC(CC(=O)O)c1ccc(O)cc1,True |
| FC(F)(F)c1ccc(-c2cccc(CBr)c2)cc1,True |
| CC(C)(C)OC(=O)N1C(C)(C)OCC1(C)C(=O)O,True |
| FC(F)(F)c1ccc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cc1,True |
| COC12C(COC(=O)N3CC3)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1C2N1C,False |
| COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2c1OC1(CCCC1)O2,True |
| N#Cc1c(N2CCOCC2)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl,False |
| CCOC(=O)c1sc(N2CCOCC2)c(C#N)c1I,True |
| Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1,False |
| COCC(N)CCO,True |
| CCC(C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12,False |
| Cc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2C(C)C)cc1,False |
| O=C(c1ccc(B(O)O)c(F)c1)N1CCCC1,True |
| CC1(C)CCCN(CCCOc2ccc(C3CCN(C(=O)c4ccc(CCC(=O)O)c5ccccc45)CC3)cc2)C1,True |
| CC1(C)CCCNC1,True |
| O=C(/C=C/C1CC=C(C(=O)O)c2ccccc21)OCc1ccccc1,False |
| NC(CCCC1OCCO1)C(=O)O,True |
| Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c(=O)n2C)o1,False |
| CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,False |
| CN1CCCC1Cc1c[nH]c2ccc(Br)cc12,True |
| CN1CCCC1CCC1OCCCO1,True |
| CN1CCCC1CCC1OCC(C)(C)CO1,True |
| CS(=O)(=O)OC1CN(Cc2ccccc2)C1,True |
| NCC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1,True |
| CC(=O)N1CC(Oc2cccc(F)c2)CC1C(=O)N1CCCN(C2CCC2)CC1,True |
| Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1,True |
| COC(=O)c1ccc(C2(N=C=O)CC2)cc1,True |
| CCC(O)(C(=O)NN)C(F)(F)F,True |
| CC[C@](O)(c1nnc(NCc2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)o1)C(F)(F)F,False |
| c1ccc(CN2CCOC3CNCC32)cc1,True |
| COc1cc(OC)cc(-c2nc(-c3ccc(C(F)(F)F)cc3)n(C)c2-c2ccc3ccccc3c2)c1,True |
| Cc1csc(-c2n[nH]c(=O)c3ccccc23)c1,True |
| CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ccc(C(=O)O)cn1)C[C@H]2c1ccc(C#N)cc1,False |
| Cc1cn(-c2ccc(C3=NC4(CCCC4)N(CC(=O)Nc4ccc(C(F)(F)F)cc4)C3=O)cc2)cn1,True |
| Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O,True |
| Cn1c(=O)c(Br)cc2cnn(-c3c(F)cccc3F)c21,True |
| N#Cc1cnn(-c2c(F)cccc2F)c1N,True |
| CC1(C)Cc2ccc3ccccc3c2O1,True |
| Oc1cccc2cc[nH]c12,True |
| CC(N)Cc1c[nH]c2c(OCc3ccccc3)cccc12,True |
| Cc1cccc(O)c1[N+](=O)[O-],True |
| C=C(N)Cc1c[nH]c2c(OCC(=O)N(CC)CC)cccc12,False |
| COc1ccc2cc(C(O)(c3c[nH]cn3)C(C)C)ccc2c1,True |
| CC(C)C(NC(=O)C1(NC(=O)NCCc2ccccc2)CCc2[nH]c3ccccc3c2C1)C(N)=O,True |
| CC(=O)C1C(C)CCCC1(C)C,True |
| COc1cc2[nH]c(N3CCc4c(ncnc4N4CCOCC4)C3)nc(=O)c2cc1OC,True |
| CC(C)C1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,True |
| CC1(C)OC2CNCC2O1,True |
| CCCCCCCCCCOc1cc(C(=O)O)cc(OCCCCCCCCCC)c1OCCCCCCCCCC,True |
| CC(C)(C)OC(=O)NC(Cc1cncn1COCc1ccc2ccccc2c1)C(=O)O,True |
| CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,False |
| CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,True |
| Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1,True |
| CCCC(NC1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1,True |
| O/N=C(Cl)/C(Cl)=N/O,True |
| O=C(OC1C(=O)OC(=O)C1OC(=O)c1ccccc1)c1ccccc1,True |
| CC(=O)NC1CCCC(C(=O)O)C1,True |
| CC(C)(N)c1ncon1,True |
| CC(=O)NC(C)c1ncc(F)cn1,True |
| CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(Br)cc12,True |
| O=C(O)C1CCc2nc(-n3cnnn3)ncc21,True |
| CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1,False |
| COc1cc2cc(C(=O)C[C@H](C)C(=O)O)sc2cc1OC,True |
| CC(C)(C#Cc1ccc(-c2ccc(Cl)c3c(NS(C)(=O)=O)nn(CC(F)(F)F)c23)c([C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)n1)S(C)(=O)=O,False |
| O=C1CCC(N2Cc3cc(C4CCN(Cc5ccccc5)CC4)ccc3C2=O)C(=O)N1,True |
| c1c[nH]nn1,True |
| CC12CC3CC(C(=O)NC4CCC(N)CC4)(C1)CC(c1ccccc1)(C3)C2,True |
| CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12,False |
| O=C(c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1)N1CCCCC1,True |
| CCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl,True |
| C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CCC4)cccc3S(C)(=O)=O)c3nc(-c4c(O)cccc4F)c(F)cc23)C[C@H]1C,False |
| Cc1cccc(C(C)c2cnc[nH]2)c1C,True |
| Cc1c(Br)ccc(C(C)c2c[nH]cn2)c1C,True |
| Cc1cccc(C(C)C(=O)CBr)c1C,True |
| Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3cccc(C(C)(C)O)n3)nn2)nc(N)n1,True |
| OCC1CC1c1cccnc1,True |
| Cc1nc2cccnc2n2c(-c3cc(C4(O)CCCOC4)ccc3Cl)nnc12,True |
| O=[N+]([O-])c1nonc1-c1no[n+]([O-])c1-c1nonc1[N+](=O)[O-],False |
| C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,False |
| COC(=O)c1cc(Cl)c(Cl)c(Cl)n1,True |
| COc1ccc(C2CCC2)c2c1C(C(=O)NS(=O)(=O)c1cccc3nc(C)ccc13)CCO2,False |
| CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C(Cc2ccc(N=C(N)N)cc2)NC(=O)OCc2ccccc2)cc1,False |
| COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC,True |
| CC(C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CCC(C)(O)CC5)c4n3)cc(OC(F)F)c2C1=O,True |
| CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,False |
| Cc1cc2c(CCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C(C)C)noc2cc1OCC(=O)O,True |
| CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,False |
| CO[C@@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnn2ccnc12,False |
| CC(C)(C)OC(=O)NC(CC1CCNC1=O)C(N)=O,False |
| O=C(O)c1cnc2c(c1)OCCC1(CC1)N2,True |
| Clc1ccc2[nH]ccc2c1Cl,True |
| Brc1cc(N(c2ccccc2)c2ccccc2)ccc1N(c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1Br,True |
| N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,True |
| COC1C(OP(=O)([S-])OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2OP(=O)([O-])OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2O)C(CO)OC1n1ccc(N)nc1=O,False |
| OCC12CCCN1CC(F)C2,False |
| O=C1CCC(N2Cc3cc(CNC(=O)C(F)(F)c4ccc(Cl)cc4)ccc3C2=O)C(=O)N1,True |
| O=C(O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F,False |
| O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1,False |
| CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1,False |
| Cn1cc[nH]c1=S,True |
| O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O,False |
| C1CNC2CNCC2C1,True |
| CC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(N[C@@H]3CCOC3)nc2C1,False |
| Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21,True |
| Clc1nc(Cl)c2cccnc2n1,True |
| CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,False |
| CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C,False |
| C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1,False |
| CNc1cc(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1Cl,False |
| C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12,False |
| COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1,False |
| c1cnc2cc3c(cc2n1)[C@@H]1CNC[C@H]3C1,False |
| N[C@]1(C(=O)O)[C@H]2[C@@H](C[C@H]1O)[C@@H]2C(=O)O,False |
| O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1,True |
| NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12,False |
| N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F,True |
| O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1,True |
| COc1ccc2cccc(CCNC(C)=O)c2c1,True |
| CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O,True |
| CC(c1ccc(C(F)(F)F)nc1)S(C)(=O)=NC#N,True |
| CC1(F)C(=O)OC(CO)C1O,True |
| CC(C)NCC(O)COc1cccc2ccccc12,True |
| CC[C@@H](C(N)=O)N1CCCC1=O,False |
| Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O,False |
| Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,True |
| CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2,False |
| CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,False |
| Cn1c(O)c(N=NC(N)=S)c2ccccc21,False |
| C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,False |
| CC(C)(CC1(c2ccc(-c3cnn(C4CC4)n3)cc2)NC(=N)N(C(COC(=O)NC2(C(F)(F)F)CC2)c2ccc(Cl)c(-c3ncnn3C(F)F)c2)C1=O)C(F)(F)F,False |
| CC(C)(C)S(=O)(=O)NCC1CCC(Nc2nc3ccc(F)cc3o2)CC1,True |
| CC1OC(O)C(F)C(O)C1O,True |
| CC(=O)OC1C=COC(C)C1OC(C)=O,False |
| CC(C)(C)OC(=O)N1CCc2cc([N+](=O)[O-])c(=O)[nH]c2CC1,True |
| CNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Br)nn1-c1ncc(Cl)cc1Cl,True |
| C=C1CC2C(O)Nc3cc(OCCCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)CC4C(O)C5C(=O)OCC(C)SSc4ccc([N+](=O)[O-])cn4)c(OC)cc3C(=O)N2C1,False |
| COc1ccc(C(O)c2ccc(Br)cc2)cc1,True |
| OC1CNCCC12Cc1ccccc1CN2,False |
| CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,True |
| CS(=O)(=O)c1ccc(C(O)C(N)CO)cc1,True |
| O=S(=O)(Cc1ccccc1)S1(C(F)(F)F)c2ccccc2-c2ccccc21,False |
| CCc1cc(C)cc(CC)c1-c1cc(C)c2c(n1)C(O)CC2,True |
| NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21,False |
| CC[C@H](C)[C@@H](C(=O)NC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)c1ccccc1)C(C)C,False |
| COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1C[C@@H]2OCCO[C@@H]2C1,False |
| Cn1cc(-c2cn(C)c(=O)c3ccccc23)c2ccccc2c1=O,True |
| CC(C)(C)n1cnc2c(N)nc3ccccc3c21,True |
| C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12,False |
| COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC,True |
| CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21,False |
| Cc1ccc(C2=C(c3nn[nH]n3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1,False |
| c1ccc(-c2nnn[nH]2)cc1,True |
| O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1,True |
| OC1COC2OCCC12,True |
| CCCN(C(=O)C(NC(=O)C1CCCCN1C)C(C)CC)C(CC(=O)c1nc(C(=O)OC)cs1)C(C)C,True |
| CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,True |
| NC(CO)c1ccccc1,True |
| CN(C)C(=O)NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,True |
| CC(O)Cc1ccc2oc(=O)[nH]c2c1,True |
| C#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1O,False |
| C[C@@H](Oc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO,False |
| Br.COC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2F)CC1,True |
| [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC,True |
| O=C(O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1,True |
| CNCCC(Oc1cccc2ccccc12)c1cccs1,True |
| Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@@H](COc4ccc(F)cn4)[C@@H]2CC3)c1,False |
| CC(=O)Nc1cc2c(cn1)COc1cc(OCC(C)(N)CC(C)C)ccc1-2,False |
| CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1,False |
| Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(Cl)n1,True |
| Cc1ccc(S(=O)(=O)N=S(=O)(F)c2ccc(Cl)cc2)cc1,False |
| O=C(O)C1CC=CCC1,True |
| CNC(=O)c1cc(C(=O)NC2C3COCC32)cc2c1OC(C)C2c1ccccc1,False |
| Cc1ccc2c(c1)C(=O)CC(C)C2,True |
| CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(NO)nc2=O)[C@H](O)[C@@H]1O,False |
| CC(C)c1cccc(C(C)C)c1O,True |
| COc1ccc2ncc(F)cc2c1,True |
| Cc1ccc(NCc2c[nH]c3ccccc23)cc1,True |
| CNC1(c2ccccc2Cl)CCCCC1=O,False |
| CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(NO)nc2=O)[C@H](O)[C@@H]1O,False |
| CC(C)C[C@H](CN)CC(=O)O,True |
| COc1ccc(CN2CCC(c3ccc4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)[nH]c4c3)CC2)cn1,True |
| Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,False |
| COc1cc(OC)nc(Sc2cccc3c2C(=O)OC3C)n1,True |
| CC(C)C1=C2C3CCC4C5(C)CCC(OC(=O)CC(C)(C)C(=O)O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(O)CN(CCN(C)C)Cc2ccc(Cl)cc2)CC1=O,False |
| NC(=O)[C@@H]1CSSCCC(=O)N[C@@H](CCCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N1,False |
| CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1,True |
| O=C(CCc1ccc(CCC(=O)NCC(O)CO)c2ccccc12)NCC(O)CO,True |
| COCc1nn2c(CN3CC(CCC(F)(F)F)=CC3=O)c(C)nc2s1,False |
| CC1CC(C(=O)O)CCC1C(=O)c1ccccc1,False |
| CC(C)Oc1ccc(-c2nc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)c3oc4ccccc4c3n2)cc1,False |
| Cn1cc(Nc2nccc(Cl)n2)cn1,True |
| CC1c2ccccc2CCN1C(=O)c1cc(C2CC2)n2nc(-c3ccc(C4CC4C(=O)O)cc3F)cc2n1,True |
| CC(C)c1cccc([C@H](C)C2CC2)c1O,False |
| CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,True |
| N#Cc1ccc2c(c1)C1CCCN(C(=O)c3ccc4[nH]cnc4c3)C1C2,False |
| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12,False |
| O=C(O)c1c(F)ccc2c1OB(O)[C@@H]1C[C@H]21,False |
| CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O,True |
| CNCCOc1ccccc1C1(Nc2nccn(-c3cc(C(=O)NC4CC4)cc(F)c3C)c2=O)CC1,False |
| COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1,False |
| COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1,False |
| CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F,True |
| Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12,True |
| Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(Cl)n1,True |
| Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12,True |
| Cc1cc(O)cc(N(C)C)n1,True |
| C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO,False |
| CC(Cc1c[nH]c2ccccc12)NCC(F)(F)CO,True |
| COC(=O)c1cc(F)cc2c1C(=O)C(c1ncnn1C)C(c1ccc(F)cc1)N2,True |
| CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1C(O)C(F)C2O,False |
| CC1(O)CCCC1n1c(=O)c(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21,False |
| Cc1ncc(CN)c(N)n1,True |
| COc1ccccc1C(O)C(=O)O,True |
| CC(C)(C)OC(=O)N1CC12COC(C)(C)OC2,False |
| COc1ccc(-n2nc(C)cc(C(=O)C3C(=O)CCCC3=O)c2=O)cc1OC,True |
| [H][C@@]12CCCC[C@]1([H])N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@H](c1nc3ccc(-c4cc5ccc4CCc4ccc(c(-c6ccc7nc([C@@H]8C[C@]9([H])CCCC[C@]9([H])N8C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c7c6)c4)CC5)cc3[nH]1)C2,False |
| CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)[C@H](F)[C@@H]2F,False |
| O=c1c2nc(Br)n(C3OC4COP([O-])(=S)OC4C3O)c2nc2[nH]c(-c3ccccc3)cn12,False |
| O=C(O)c1c(Cl)cc2c(c1Cl)CCNC2,True |
| [H][C@]1(c2ccc(C#Cc3ccccc3)cc2)[C@@H](CN(C)C)N2C[C@H](O)[C@H](O)CN(C(=O)Nc3ccc(OC)cc3)C[C@]21[H],False |
| [H][C@]12CSC(N)=N[C@@]1(c1cc(NC(=O)c3cnc(C(F)F)cn3)ccc1F)CO[C@@H]2C,False |
| CC(C)C(=O)OCC1OC(n2ccc(NO)nc2=O)C(O)C1O,False |
| O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,True |
| Fc1ccccc1Cc1nc(-c2nc(C(F)(F)F)n[nH]2)cn2ccnc12,True |
| CC(c1ccccc1)N1C(=O)C2C(C1=O)N(Cc1ccccc1)C(=O)N2Cc1ccccc1,True |
| O=C(O)c1cnc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cc(F)cc5Cl)noc4C4CC4)cc3Cl)C2)c(F)c1,True |
| COc1cc(C(C)[Hg])c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O,False |
| CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1,True |
| CC(C)OC(=O)C(C)NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(Cl)C1O)Oc1ccccc1,False |
| O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O,False |
| CCC(NC(=O)c1ccc(OC)nc1)C1CCC(c2ccnc(OC)c2C(F)F)CC1,False |
| O=c1ccn2nc3n(c(=O)c2c1OCc1ccccc1)CCOC3,False |
| CC1CCOC2Cn3c([S])c(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12,False |
| CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12,False |
| Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C,True |
| COCCOc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1,True |
| O=C(O)Cc1c2n(c3c(F)cccc13)CC(n1nncc1Cc1ccc(F)cc1)CC2,False |
| CC1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O,False |
| CC1CC2CSC(NC(=O)c3ccccc3)=NC2(c2nc(N)cs2)CO1,False |
| CC1CC(C(=O)O)CCC1C(=O)N1CCC2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,False |
| CCOC(=O)C(Br)CCC(Br)C(=O)OCC,True |
| CCOC(=O)/C(=C\NC1CC1)C(=O)c1cc(F)c(F)cc1F,False |
| CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC,True |
| COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)c2cc1Cl,True |
| C1CC2CNC1CO2,True |
| CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(O)c1-c1c(OC)cccc1OC,False |
| CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,True |
| O=C1c2ccc(Cl)cc2CCc2ccc(O)cc21,True |
| CCC(C)C(C(CC(=O)N1CCCC1C(=O)NC(CS[Tl])C(N)=O)OC)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)CCl,False |
| CNC1CCN(c2cc(NCC3CC3)nc(N)n2)C1,True |
| CCCCCCCC(CCCCCCC)OC(=O)CCCN(CCCC(=O)OC(CCCCCCC)CCCCCCC)C(=O)SCCCN(C)C,False |
| CC(C)(C)OC(=O)N1CCC2(CC1)CC(N)CO2,True |
| N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,True |
| Cn1cc(N)cn1,True |
| CC(=O)OCCC(Cl)C(C)=O,True |
| CCOC(=O)C(C)NP(=O)(COC1C=C(F)C(n2cnc3c(N)ncnc32)O1)Oc1ccccc1.[K],False |
| CC(C)C(=O)OCC1OC(n2ccc(NO)nc2=O)C(O)C1O,False |
| Nc1ncnc2c1ncn2C1OC(C(=O)O)C(O)C1F,True |
| CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2[nH]1,True |
| CCC(CC)COC(=O)C(C)NP(=O)(OCC1OC(C#N)(c2ccc3c(N)ncnn23)C(O)C1O)Oc1ccccc1,False |
| CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)OC(C)(C)C,True |
| CC1CC(C(=O)O)CCC1C(=O)N1CCC2(S(=O)(=O)c3ccccc3)c3cc(F)c(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC12,False |
| CC(C)(O)Cc1ccc(Br)cn1,True |
| NC(=O)c1[nH]cnc1N,True |
| C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,False |
| O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O,True |
| NCCCCCCOCC(F)(F)c1ccccc1,True |
| CCCCCCCC(=O)CCc1ccc(O)c(OC)c1,True |
| Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2ccccc2C#N)c1=O,True |
| CNCCc1ccccn1,True |
| Nc1cnn2c1C(=O)NCC2,True |
| Nc1c([N+](=O)[O-])nc([N+](=O)[O-])c(N)[n+]1[O-],True |
| CN1CCC(N)C(F)C1,True |
| COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4ccc5[nH]c(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)nc5c4)c4c3C3CCC4C3)cc2)[nH]1)C(C)C,False |
| CN(C)CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1,True |
| Cc1coc2ccc(O)cc12,True |
| CC(C)C(=O)OC(OC(=O)NCC(CC(=O)O)c1ccc(Cl)cc1)C(C)C,False |
| CC(C)OC(=O)C(C)NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(Cl)C1O)Oc1ccccc1,False |
| CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1,False |
| N#Cc1cccc2c(OC3CCC(NC(=O)c4cccc(F)c4)CC3)ccnc12,True |
| CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1,True |
| CC1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1,True |
| C#CC1(CO)OC(n2cnc3c(N)nc(F)nc32)CC1O,False |
| CC(Cn1cnc2c(N)ncnc21)OCP(=O)(O)O,True |
| CN1C(=O)N=NC1=O,True |
| ClC1=CC(Cl)Nc2[nH]ncc21,False |
| CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,True |
| NC1CCC(F)CC1,True |
| C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)[C@@H](OCCCO)[C@@H]1O,False |
| CCOC(=O)C(C)NP(=O)(COC1C=C(F)C(n2cnc3c(N)ncnc32)O1)Oc1ccccc1,False |
| NC(=O)C1CCC(c2ccc(OCc3ccccc3F)cc2)N1,True |
| Cc1cc(CC(C)C)ccc1CCC=O,True |
| Nc1cc(-c2ccnn2C2CCCCO2)ccc1Cl,True |
| CC(C)c1cc(-c2ccc3c(c2)C(N)CO3)cc(C(O)Cn2ccc3cccc(C(=O)O)c32)c1,True |
| CC1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O,False |
| CC1(C)C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(Br)C2S1=O,True |
| CC1(O)CCCC1N,True |
| OCCC(O)c1ccncc1,True |
| CC(C(=O)O)c1ccccc1,True |
| CCCCCCCCCCCCCCCCCC(=O)OCC(COCC1OC(CS(=O)(=O)[O-])C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC.[Rb+],False |
| CC1=CCC(C(C)C)C=C1,False |
| NC(=O)C1CCC(c2ccc(OCc3ccccc3F)cc2)N1,True |
| CC(F)(F)C1OCC2(c3cc(NC(=O)c4ccc(C(F)(F)F)cn4)ccc3F)N=C(N)OCC12,False |
| CC(F)(F)C1OCC(N)(c2cc(Br)ccc2F)C1CO,False |
| CCCS(=O)(=O)NC1CC(N(C)c2ncnc3[nH]ccc23)C1,False |
| CCOc1ccc(Cc2cc(C3OC(SC)C(O)C(O)C3O)ccc2Cl)cc1,True |
| NC1(c2ncccn2)CC1,True |
| CCCCc1c(-c2ccccc2)nc(N)nc1-c1ccc(OC)cc1,True |
| CC(C)(C)OC(=O)CC1CC(CO)OC(C)(C)O1,True |
| Cc1c(C(O)CN2CCN(CC(O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O,True |
| Nc1ncnn2c(C3(O)OC(COCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)ccc12,False |
| Nc1nc(F)nc2[nH]cnc12,True |
| CC(Oc1cc(-c2ccn(C3CCNCC3)n2)cnc1N)c1c(Cl)ccc(F)c1Cl,True |
| O=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1,True |
| CCOc1cc(CN2CCN(C)CC2)cc(CNc2ccc(Cl)cc2C(=O)Nc2ccc(C(=N)N)cc2)c1OCC(=O)O,True |
| CN1CCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc(N)c5ncccc45)c3)cc2C(F)(F)F)CC1,True |
| CCOC(=O)COc1cc(C)c(CCNC(C)C(O)c2ccc(O)cc2)cc1C,True |
| C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5,False |
| O=[N+]([O-])OCC1(CO[N+](=O)[O-])CCC1(CO[N+](=O)[O-])CO[N+](=O)[O-],False |
| COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1,True |
| CC(C)(C)C1NC(=O)OC2CCCC2OC/C=C/C(F)(F)c2nc3ccccc3nc2OC2CC(C(=O)NC3(C(=O)NS(=O)(=O)C4(C)CC4)CC3C(F)F)N(C2)C1=O,False |
| CC(C)(C)C1NC(=O)OC2CCCC2OC/C=C/C(F)(F)c2nc3ccccc3nc2OC2CC(C(=O)NC3(C(=O)NS(=O)(=O)C4(C)CC4)CC3C(F)F)N(C2)C1=O,False |
| COc1ccc(C(C)(C)c2cnc(SCCOc3ccc(-n4ccnc4)cc3)n2-c2ccc(F)cc2)cc1OC,False |
| NC(=O)c1nc(F)cn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c1=O,False |
| N#Cc1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CCO)nn12,True |
| CC1c2cccc(CCC(C)(C)O)c2CC(CO)N1C(=O)Cc1c(Cl)cccc1Cl,False |
| COc1ccc2c(c1OCc1ccccc1)CC(C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2,True |
| O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)c(=O)[nH]1,False |
| CC1N=C(c2ccccc2F)c2cc(Br)ccc2-n2cnc(C(=O)O)c21,True |
| CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)CC4)ccc3C)c(F)c12,True |
| CC(=O)CCCCCC/C=C/C=C\CCC(C)(C)C,True |
| C=C(C)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C,True |
| CC(C)CC(NC(=O)OC(C)(C)C)C(=O)C1(C)CO1,True |
| Ic1cnc2c(c(C3CCCCC3)nn2Cc2ccccc2)c1-c1ccccc1,True |
| O=C(Nc1cnc(OCCO)cn1)/C(=C\C1CC(F)C(F)C1)c1ccc(S(=O)(=O)C2CC2)cc1,False |
| CCC(CC)COC(=O)C(C)NP(=O)(OCC1OC(C#N)(c2ccc3c(N)ncnn23)C(O)C1O)Oc1ccccc1,False |
| O=C(O)C1NCCC1CCCB(O)O,False |
| O=C=NCN=C=O,True |
| Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1,True |
| Nc1nc(=O)n(C2CSC(CO)O2)cc1F,False |
| Nc1ccn(C2CSC(CO)O2)c(=O)n1,False |
| CC1c2cccc(CCC(C)(C)O)c2CC(CO)N1C(=O)Cc1c(Cl)cccc1Cl,False |
| Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3cccc(C(C)(C)O)n3)nn2)nc(N)n1,True |
| Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1,True |
| CCCCC/C=C\C/C=C\CCCCCCCCN(C)CCCCCCCC/C=C\C/C=C\CCCCC,True |
| Nc1ccn(C2CSC(CO)O2)c(=O)n1,False |
| CC(C)(C)OC(=O)N1CC(F)CC1C(=O)O,True |
| CC(Cn1cnc2c(N)ncnc21)OCP(=O)(O)O,True |
| CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1,True |
| Nc1nonc1C(=O)O,True |
| CC(C)(C)N/[N+]([O-])=N\OC1CCN(c2ccc(C#N)cn2)CC1,False |
| CC(=O)OC1C=CC(O)C1,True |
| CC(C)CC(NC(=O)C(CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1,True |
| CNC(C)(F)C(C#N)N(C)P,False |
| N#Cc1ccc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)C(F)C3)c2c1,True |
| CN(C(=O)c1ccccc1)c1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F,True |
| CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2cccc(C(F)F)n2)ccn1,True |
| CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(N2CC3C(C2)C3n2cnnc2)cc1F,False |
| CC(=O)OC1CSC(COC(=O)c2ccccc2)O1,False |
| C/C=C1\CC2C(=O)Nc3cc(O)c(OC)cc3C(=O)N2C1,False |
| CC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc(C(C)O)[nH]n1,True |
| CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,True |
| CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F,True |
| NS(=O)(=O)C1CCC(F)(CCC2c3ccccc3-c3cncn32)CC1,False |
|
|
