| smiles,activity,HIV_active | |
| CCC1=[O+][Cu-3]2([O+]=C(CC)C1)[O+]=C(CC)CC(CC)=[O+]2,CI,0 | |
| S=P(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1,CI,0 | |
| CC(C)(O)O.CC1(O)C(O)C(O)C1(O)CO,CI,0 | |
| CCCC(O)CNCc1ccc(N(C)C)cc1,CI,0 | |
| Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1,CI,0 | |
| C=C(C)c1ccc2c(c1)C(=O)CC1C(C)(C#N)CCCC21C,CI,0 | |
| O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,CI,0 | |
| O=c1ssc(=Nc2ccccc2)n1-c1ccccc1,CI,0 | |
| CCCN=c1ssc(=O)n1CCC,CI,0 | |
| O=c1ssc(=Nc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1,CI,0 | |
| CCCCCCCN=c1ssc(=O)n1CCCCCCC,CI,0 | |
| NS(=O)(=O)c1cc(O)nc(O)n1,CI,0 | |
| CS(=O)(=O)c1cc(O)nc(O)n1,CI,0 | |
| CCOC(=O)Nc1ccc(C(=O)C=Cc2ccc(N(CC)CC)cc2)cc1,CI,0 | |
| CCC(CS(=O)(=O)O)[N+](=O)[O-],CI,0 | |
| CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,CI,0 | |
| CCN(CC)C(=S)S[Se](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,CI,0 | |
| CN(C)c1ccc(C=Cc2cc[n+](C)c3ccccc23)cc1,CI,0 | |
| c1cnc2c(c1)ccc1cccnc12,CI,0 | |
| O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccccc1SSc1ccccc1C(=O)NN=Cc1ccc(Cl)cc1Cl,CM,1 | |
| OCC1OC(n2cnc3c(Cl)ncnc32)C(O)C1O,CI,0 | |
| O=Nc1ccc2ccccc2c1O,CI,0 | |
| c1ccc(N2N=C3N(c4ccccc4)C2N3c2ccccc2)cc1,CI,0 | |
| CN(C)c1ccc(C=C2SC(=S)NC2=O)cc1,CI,0 | |
| CC(=NN=C(C)C1CC(CC(=O)O)C1(C)C)C1CC(CC(=O)O)C1(C)C,CI,0 | |
| Cc1cc(C2(c3ccc(O)c(C)c3)OS(=O)(=O)c3ccccc32)ccc1O,CI,0 | |
| CC[N+]12CN3CN(CN(C3)C1)C2,CI,0 | |
| O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,CI,0 | |
| O=S(c1ccccc1O)S(=O)c1ccccc1O,CM,1 | |
| Cc1cc(O)n2cnnc2n1,CI,0 | |
| Nc1c2ccccc2nc2ccccc12,CI,0 | |
| [O-][N+]1=c2c([nH]c3ccccc23)=[O+][Cu-3]12[O+]=c1[nH]c3ccccc3c1=[N+]2[O-],CI,0 | |
| C[n+]1ccccc1C=NO,CI,0 | |
| CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C,CI,0 | |
| C=CS(=O)(=O)O,CI,0 | |
| C[N+]1(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CCCC12CCCCC2,CI,0 | |
| CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,CM,1 | |
| NNC(=O)c1ccncc1,CI,0 | |
| COc1ccc2c(c1OC)C(=O)OC2c1c2c(c(OC)c3c1OCO3)C(C1OC(=O)c3c1ccc(OC)c3OC)N(C)CC2,CI,0 | |
| CSSC(SC)SC,CI,0 | |
| CC(=O)Oc1ccc2c(oc(=O)c3nc(C)oc32)c1C,CI,0 | |
| O=C1c2cccc3cccc(c23)C(=O)N1CCO,CI,0 | |
| COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3,CI,0 | |
| CCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCC)c4c3O)c(O)c12,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=NCc3ccoc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NCc3ccco3)c2c1O,CI,0 | |
| CCCCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCCCC)c4c3O)c(O)c12,CI,0 | |
| CCCCCCCCCCN=Cc1c(O)c(O)c(CCC)c2cc(C)c(-c3c(C)cc4c(CCC)c(O)c(O)c(C=NCCCCCCCCCC)c4c3O)c(O)c12,CI,0 | |
| O=[N+]([O-])c1ccc(S(=O)(=O)NN=CC=Cc2ccccc2)cc1,CI,0 | |
| O=[As](O)(O)c1ccc(N=Nc2ccc(O)cc2)cc1,CI,0 | |
| O=C1CSC2=NCCN12,CI,0 | |
| [Li]F,CI,0 | |
| CCN(CC)CC(O)CNc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12,CI,0 | |
| COc1cc(C=C2CCOC2=O)ccc1OCc1ccccc1,CI,0 | |
| COc1ccc(C=C(C#N)c2ccccc2)cc1,CI,0 | |
| Nc1ccc2c(c1)S(=O)(=O)c1cc(N)ccc1-2,CI,0 | |
| O=C1NC(=O)C(CCSSCCC2NC(=O)NC2=O)N1,CI,0 | |
| Cc1ccc(S(=O)(=O)N2CCCCC2)cc1,CI,0 | |
| O=c1oc2ccccc2cc1-c1ccccc1,CI,0 | |
| CC1CN2CC(C)OB(O1)OC(C)C2,CI,0 | |
| S=C1NC2(CCCCC2)C2=C(CCCC2)S1,CI,0 | |
| COC(=O)C1=COC(C)C2C[n+]3ccc4c([nH]c5ccccc54)c3CC12,CI,0 | |
| O=c1c2ccccc2c(=O)c2c1c1c(=O)c3ccccc3c(=O)c1c1c(=O)c3ccccc3c(=O)c21,CI,0 | |
| c1ccc2c(c1)Sc1ccccc1C2=C1c2ccccc2Sc2ccccc21,CI,0 | |
| CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)c(CCC(=O)OC)c4C)c(C)c3CC,CI,0 | |
| S=C(NCCNC(=S)SSC(=S)NNc1ccccc1)SSC(=S)NNc1ccccc1,CI,0 | |
| CN1C(=O)CCC2(c3ccccc3)CC=C(O)C=C12,CI,0 | |
| CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21,CI,0 | |
| COc1ccc(C=CC(=O)c2c(OC)cc(OC)c(OC)c2O)cc1,CI,0 | |
| O=CNc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0 | |
| CN(C)COC(=S)SSSC(=S)OCN(C)C,CI,0 | |
| CC(=O)O[Hg]CC(O)Cn1c(=O)c2c(ncn2C)n(C)c1=O,CI,0 | |
| Cc1cc(=O)oc2ccccc12,CI,0 | |
| Sc1nnnc2ccccc12,CI,0 | |
| N=C(N)NC(=N)Nc1ccc(Sc2ccc(NC(=N)NC(=N)N)cc2)cc1,CI,0 | |
| O=C1O[Cu-3]2(OC(=O)c3cccc[n+]32)[n+]2ccccc21,CI,0 | |
| CCOC(=O)C(C(=O)OCC)C(C(=O)OCC)(C(=O)OCC)C(C(=O)OCC)C(=O)OCC,CI,0 | |
| C=C1C(=O)OC2CC3(C)OC3CCC(C)=CC(OC(C)=O)C12,CI,0 | |
| O=C(O)C1=C(C(=O)O)C2c3ccccc3C1c1ccccc12,CI,0 | |
| O=[n+]1[cH-]nc2ccccc2c1O,CI,0 | |
| Nc1nc(-c2ccccc2)nc(N)c1N=O,CI,0 | |
| O=P(OCC1CCCO1)(OCC1CCCO1)OCC1CCCO1,CI,0 | |
| O=c1ccn(C2CC(O)C(CO)O2)c(=O)[nH]1,CI,0 | |
| CC12CCC3C(CCC4=CC(=O)C=CC43C)C1CCC(=O)O2,CI,0 | |
| Cc1c(C(C)C2NCC(C)CC2O)ccc2c1CC1C2CC=C2CC(O)CCC21C,CI,0 | |
| C[N+](C)(C)c1cc2c(nn1)Nc1ccccc1S2,CI,0 | |
| CCCCCCCCCCCCCCCCN1CCCCCC1=O,CI,0 | |
| CCN(CC)CCN1C(=O)c2cccc3cccc(c23)C1=O,CI,0 | |
| COc1ccc(C)cc1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-],CM,1 | |
| Cc1c(N=Nc2cc(N=Nc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)c(N)cc2N)cccc1S(=O)(=O)O,CM,1 | |
| CCc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CCC2C,CI,0 | |
| Cc1nc(Cl)c(Cl)c(Cl)n1,CI,0 | |
| CC1CSS(=O)O1,CI,0 | |
| O=c1ccc(=O)n(CO)[nH]1,CI,0 | |
| CCCCCCCCCCn1nnc2c(O)nc(N)nc21,CI,0 | |
| c1ccc(SCN2CCN(CSc3ccccc3)CC2)cc1,CI,0 | |
| CNP(=O)(NC)NC,CI,0 | |
| O=C1C=C(N2CC2)C(=O)C=C1N1CC1,CI,0 | |
| C=CCOP1(OCC=C)=NP(OCC=C)(OCC=C)=NP(OCC=C)(OCC=C)=N1,CI,0 | |
| CC(N)C(=O)NC1C(C)OC(=O)C2=C(O)CC(O)C(O)C21,CI,0 | |
| Cl[Hg]Cl.O=c1c2ccccc2oc2ccccc12,CI,0 | |
| O=c1c2ccc(Cl)cc2oc2ccc(Cl)cc12,CI,0 | |
| CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,CI,0 | |
| c1csc(-c2nc3sc(-c4cccs4)nc3s2)c1,CI,0 | |
| Nc1ccc(-c2nc3sc(-c4ccc(N)cc4)nc3s2)cc1,CI,0 | |
| COc1cc(-c2nc3sc(-c4ccc(O)c(OC)c4)nc3s2)ccc1O,CI,0 | |
| COc1ccc(-c2nc3sc(-c4ccc(OC)c(OC)c4)nc3s2)cc1OC,CI,0 | |
| O=[N+]([O-])c1ccc(C=Cc2ccc(N=Nc3ccc(C=Cc4ccc([N+](=O)[O-])cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,CA,1 | |
| O=C(NN=CC=Cc1ccccc1)c1ccncc1,CI,0 | |
| CCN(CC)CC(=O)Nc1c(C)cc(C(=O)NN)cc1C,CI,0 | |
| c1ccc(-c2nc3sc(-c4ccccn4)nc3s2)nc1,CI,0 | |
| CC(C)(CCC#N)c1nc2sc(C(C)(C)CCC#N)nc2s1,CI,0 | |
| CC(CCC(C)OS(=O)(=O)c1ccc(F)cc1)OS(=O)(=O)c1ccc(F)cc1,CI,0 | |
| OCC(O)C(O)C(O)c1nc2ccccc2s1,CI,0 | |
| CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,CI,0 | |
| CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CI,0 | |
| C=CCCCCCCCCCC(C(=O)O)C(=O)O,CI,0 | |
| CCOC(=O)Cc1cc(=O)[nH]n(-c2ccccc2)c1=O,CI,0 | |
| COc1ccc2c(=O)c3ccccc3oc2c1,CI,0 | |
| O=S(=O)(Oc1ccccn1)c1ccc(Br)cc1,CI,0 | |
| N=C(N)Oc1ccc(Cl)cc1,CI,0 | |
| C#CC(O)c1ccc(OC)c(OC)c1,CI,0 | |
| Cc1c(Cc2ccc(Cl)cc2)c(=O)[nH]c(=O)n1C,CI,0 | |
| CN(C)CCS(=O)(=O)O,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=NCCc3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NCCc3ccccc3)c2c1O,CI,0 | |
| CCN(CC)CCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCN(CC)CC)c4c3O)c(O)c12,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(N=Nc4ccccc4)cc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(N=Nc4ccccc4)cc3)c2c1O,CI,0 | |
| Cc1ccc(NC=O)cc1F,CI,0 | |
| O=C=Nc1cc(S(=O)(=O)c2ccc(Cl)c(N=C=O)c2)ccc1Cl,CI,0 | |
| CCN(CC)C(C)C(=O)Nc1cccc(Cl)c1C,CI,0 | |
| Cc1cccc(CC(=O)c2ccccc2)n1,CI,0 | |
| c1ccc(N=Nc2ccccn2)nc1,CI,0 | |
| O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccccc1,CI,0 | |
| O[Si](c1ccc(C(F)(F)F)cc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1,CI,0 | |
| OC(CNc1ncccn1)c1ccccc1,CI,0 | |
| S=P1(Oc2ccccc2)OCCO1,CI,0 | |
| COc1cc(N=Nc2ccc(C(=O)N(C)C)cc2)c(C)cc1N=Nc1c(O)nc2ccccc2c1O,CI,0 | |
| Cc1cc(N=Nc2ccc(-c3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)c(C)cc1N,CI,0 | |
| O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1)c1ccc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)cc1,CM,1 | |
| O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccc4cc(S(=O)(=O)O)ccc4c3)c(S(=O)(=O)O)cc2c1,CA,1 | |
| O=C1OCCN(CCO)C12CCCC2,CI,0 | |
| Cc1c(N=O)cc(C(C)C)c(O)c1I,CI,0 | |
| N=C(NN=Cc1ccc(Cl)cc1Cl)C(=N)NN=Cc1ccc(Cl)cc1Cl,CI,0 | |
| CC12CCC(=O)C=C1CCC1C3CCC4(OCC4=O)C3(C)CC(O)C12F,CI,0 | |
| Nc1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6cccc(N)c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1,CA,1 | |
| Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(-c4ccc(N=Nc5ccc(O)cc5)cc4)cc3)c(O)c12,CI,0 | |
| CS(=O)(=O)OCCC(=O)N1CCN(C(=O)CCOS(C)(=O)=O)CC1,CI,0 | |
| c1ccc(-c2nc3sc(-c4ccccc4)nc3s2)cc1,CI,0 | |
| Oc1ccccc1-c1nc2sc(-c3ccccc3O)nc2s1,CI,0 | |
| Cc1c(C)c(CC(=O)N2CC2)c(C)c(C)c1CC(=O)N1CC1,CI,0 | |
| N=C(NN)C(=N)NN,CI,0 | |
| O=C(Oc1ccccc1C(=O)O)c1ccccc1O,CI,0 | |
| Oc1nnc(O)c2nc(Nc3ccc(Cl)cc3)ncc12,CI,0 | |
| CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4CC3CC12,CI,0 | |
| CN1C(=O)Nc2ncn(C)c2S1(=O)=O,CI,0 | |
| CN1c2ccccc2Oc2ccc3ccccc3c21,CI,0 | |
| c1ccc2nc3c(nc2c1)[nH]c1ccccc13,CI,0 | |
| O=S(=O)(O)CC(O)CCl,CI,0 | |
| CC12CCC(c3no[n+]([O-])c31)C2(C)C,CI,0 | |
| CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CCOC3=O)CCC12O,CI,0 | |
| Cn1nc(C(N)=O)c(=O)[nH]c1=O,CI,0 | |
| Nc1nc(N)c(N)c(Nc2ccccc2)n1.O=S(=O)(O)O,CI,0 | |
| O=C(NN=Cc1ccc(O)c(S(=O)(=O)O)c1)C(=O)NN=Cc1ccc(O)c(S(=O)(=O)O)c1,CI,0 | |
| CC1(C)SCC(COC(=O)c2ccccc2)S1,CI,0 | |
| CCCCN(CCCC)CC1CC(C(C)(C)C)CCC1O,CI,0 | |
| CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)OCC)NC(=O)OCc1ccccc1,CI,0 | |
| COc1ccccc1C1C=NNC1,CI,0 | |
| COc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1,CI,0 | |
| O=C(NNc1ccccc1)C(O)C(O)C(O)C(O)C(O)CO,CI,0 | |
| O=C1CCCC2CCCCN12,CI,0 | |
| CCOC(=O)C(=CNc1cccc(NC=C(C(=O)OCC)C(=O)OCC)c1)C(=O)OCC,CI,0 | |
| CCOc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(OCC)c(OCC)c2)cc1OCC,CI,0 | |
| CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)ccc(S(=O)(=O)O)c2Cl)C=C(C(=O)O)C1=O,CI,0 | |
| OCCN(CCO)CCCNc1ccnc2cc(Cl)ccc12,CI,0 | |
| CC(=O)Nc1ccc2c(c1)Cc1cc(N(CCO)CCO)ccc1-2,CI,0 | |
| CNCC(OB(c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| c1ccc(N2N=[O+][Cu-3]3(O2)ON(c2ccccc2)N=[O+]3)cc1,CI,0 | |
| C(=Cc1ccccc1)C=NCCCCCCN=CC=Cc1ccccc1,CI,0 | |
| CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21,CI,0 | |
| Clc1nc(NC2CCCCC2)nc(NC2CCCCC2)n1,CI,0 | |
| Cc1cccc(N(C=O)c2c(O)nc(N)nc2O)c1,CI,0 | |
| O=C(O)C=Cc1ccc(O)c(O)c1,CI,0 | |
| Oc1c(C(O)N2CCOCC2)cc(C(O)N2CCOCC2)c(O)c1O.Oc1c(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1O,CI,0 | |
| O=C1C=CC(=O)C2C1C1CC3C=CC312,CI,0 | |
| Sc1ccc2ccccc2c1CNC1CCCCC1,CI,0 | |
| CCCC1OC(=O)c2ccccc2S1,CI,0 | |
| CC(=O)Nc1cc(OCC(=O)O)ccc1S(=O)(=O)c1ccc(OCC(=O)O)cc1NC(C)=O,CI,0 | |
| Cc1cc(Sc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,CI,0 | |
| CC(=O)NC(=N)NC#N,CI,0 | |
| COc1ccc(C=Cc2ccc3ccccc3n2)cc1OC,CI,0 | |
| CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C,CI,0 | |
| CCOC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)nc1N1CC1C,CI,0 | |
| CCN(CC)CCOc1ccc(C=C(C#N)c2ccc(OC)cc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CI,0 | |
| Nc1nc(SCc2ccccn2)c2ncn(C3CCCC3)c2n1,CI,0 | |
| CC(N)CNCC(C)N,CI,0 | |
| Oc1ccc(Cl)cc1Cc1ccccc1,CI,0 | |
| O=C(O)CSCCOCCSCC(=O)O,CI,0 | |
| O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c([N+](=O)[O-])c1,CI,0 | |
| CCOc1ccc2c(C)cc(=O)oc2c1,CI,0 | |
| O=CC1(c2ccccc2)NC(=O)NC1=O,CI,0 | |
| COc1ccc(C2(C(OC)OC)NC(=O)N(C)C2=O)cc1,CI,0 | |
| N=C1NC(=O)C(CC(=O)c2ccc(Cl)cc2)S1,CI,0 | |
| CCOP(=O)(CC(=O)NC(C(N)=O)C(C)C)OCC,CI,0 | |
| O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC2)c1,CI,0 | |
| Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CI,0 | |
| CC1(C)OCC2OC3OC(C)(C)OC3C(OS(C)(=O)=O)C2O1,CI,0 | |
| COc1ccc(-c2c(C)c(C(=O)O)nc(-c3ccc4c(O)c(OC)c5c(c4n3)=NC(C)(C)N=5)c2N)c(O)c1OC,CI,0 | |
| CCOC(=O)C(Cc1c[nH]c2ccc(N)cc12)(NC(C)=O)C(=O)OCC,CI,0 | |
| O=c1c(Cl)c(Cl)cnn1CCCl,CI,0 | |
| CC1C2CCC3C4CC(=O)C56CC5CCC6(C)C4CCC32CN1C,CI,0 | |
| Cc1c2ccccc2n[c-](CS(=O)c2ccccc2)[n+]1=O,CI,0 | |
| CC12CCC(O)CC1=CCC1C2CCC2(C)C3=NN=CC3CC12,CI,0 | |
| N=c1[nH]c(=S)ss1,CI,0 | |
| CCN(CC)CCCC(C)Nc1ccnc2cc(F)ccc12.CCN(CC)CCCC(C)Nc1ccnc2cccc(F)c12,CI,0 | |
| CCOc1cnn(-c2ccccc2)c(=O)c1SCc1ccccc1,CI,0 | |
| O=c1c(SCc2ccc(Cl)cc2)c(N2CCOCC2)cnn1-c1ccccc1,CI,0 | |
| O=c1c(SCc2ccc(F)cc2)c(SCc2ccc(F)cc2)cnn1-c1ccccc1,CI,0 | |
| CN1CCN=C1c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=NCCN4C)cc3)cc2)cc1,CI,0 | |
| CN(N=Cc1ccccc1Cl)C(c1ccccc1Cl)N(C)N=Cc1ccccc1Cl,CI,0 | |
| COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc(OC)c1OC,CI,0 | |
| CC(=O)Nc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccccc3)c2N)cc1,CI,0 | |
| N=C(N)NN=Cc1ccc[nH]1,CI,0 | |
| O=C(Nc1ccc(C2=NCCCN2)cc1)c1ccc(NC(=O)c2ccc(C3=NCCCN3)cc2)cc1,CI,0 | |
| Clc1ccc(C=NN=C(NN=Cc2ccc(Cl)cc2Cl)NN=Cc2ccc(Cl)cc2Cl)c(Cl)c1,CI,0 | |
| CCOC(=O)C(CCC1OCCO1)C(C)=O,CI,0 | |
| CC(=O)Nc1nc(Cl)c2ncn(C3CCCO3)c2n1,CI,0 | |
| CC1CNC(Cc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(CC5=NC(C)CN5)cc4)cc3)cc2)=N1,CI,0 | |
| CC(C)NS(=O)(=O)c1ncnc2[nH]cnc12,CI,0 | |
| COc1cc(OC)cc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)c1,CI,0 | |
| CCOc1ccc(NC2OC(CO)C(O)C(O)C2NC(C)=O)cc1,CI,0 | |
| O=C(O)COc1ccc(Cl)cc1Cc1cc(Cl)ccc1OCC(=O)O,CI,0 | |
| CN(C)CCCN1CCC2(CCCCC2)CC1,CI,0 | |
| CCN(CC)CCCCCCNc1cc(C)cc2cccnc12.O=C(O)C(=O)O,CI,0 | |
| O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O,CI,0 | |
| OCC1(CO)CSSC1,CM,1 | |
| O=C(Nc1ccc(C2=NCCN2)cc1)C1CCC(C(=O)Nc2ccc(C3=NCCN3)cc2)CC1,CI,0 | |
| CNc1ncnc2nc(C)c(C)nc12,CI,0 | |
| Nc1c(C(=O)Nc2ccc(C3=NCCN3)cc2)cccc1C(=O)Nc1ccc(C2=NCCN2)cc1,CI,0 | |
| CN(C)CCC(O)(Cc1ccccc1)c1cccc(Cl)c1,CI,0 | |
| Cc1ccccc1NC1(C#N)CCN(Cc2ccccc2)CC1,CI,0 | |
| COc1cc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)ccc1Nc1ccccc1C(=O)O,CI,0 | |
| O=C(O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1,CI,0 | |
| CCCCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O,CI,0 | |
| N#CCN1CCCCCC1,CI,0 | |
| COc1ccc(C=CC(CC(NO)c2ccc(OC)cc2)=NO)cc1,CI,0 | |
| c1ccc2c(c1)c1ccccc1c1nccnc21,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(Cl)cc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(Cl)cc3)c2c1O,CI,0 | |
| O=C(O)c1cc(-c2ccccc2)c(-c2ccccc2)cc1C(c1ccccc1)c1ccccc1,CI,0 | |
| Oc1nc2ccccc2c(O)c1N=Nc1cccc(C(F)(F)F)c1,CI,0 | |
| COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,CI,0 | |
| Brc1cccc[n+]1Cc1ccccc1C[n+]1ccccc1Br,CI,0 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC5(CCC4(C)C3CCC12C)NCCCS5,CI,0 | |
| N#CC(C#N)=CN,CI,0 | |
| C1=Nc2ccccc2C1=Cc1c[nH]c2ccccc12,CI,0 | |
| COc1ccc(-c2coc3c(OC)c(OC)c(OC)c(OC)c3c2=O)cc1,CI,0 | |
| COc1cc(NCCN)c2ncsc2c1,CI,0 | |
| Nc1ccc2c(O)c(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(N=Nc7cc(Cl)ccc7Cl)c(N)c6c5O)cc4)cc3)c(S(=O)(=O)O)cc2c1,CI,0 | |
| Nc1ncnc2c1S(=O)(=O)NCN2,CI,0 | |
| C1CNCCN1.Oc1cc(Cl)c(Cl)cc1Cl,CI,0 | |
| CN(C)CCC=C1c2ccccc2C=Cc2ccccc21,CI,0 | |
| ClCCC1OC(CCCl)OC(CCCl)O1,CI,0 | |
| O=c1cc(-c2ccccc2)c2ccc(O)cc2o1,CI,0 | |
| BrCc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| COc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)c(OC)cc1N=Nc1ccc(N=Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)c(C)c1,CA,1 | |
| Nc1nc(O)c(N)c(C(=O)O)n1,CI,0 | |
| N#CCCN(CCC#N)Cc1c(O)c(O)c(CN(CCC#N)CCC#N)c2ccccc12,CM,1 | |
| O=C(O)C1OC(n2cc([N+](=O)[O-])c(=O)[nH]c2=O)C(O)C1O,CI,0 | |
| O=C1NCc2c(O)nc(O)nc21,CI,0 | |
| COC1OC2COC(c3ccccc3)OC2C(S)C1S,CI,0 | |
| Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccccc6)c(O)c5c4N)cc3)cc2)c2ccc(S(=O)(=O)O)cc12,CI,0 | |
| Cc1cc(N=Nc2ccc(Sc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)O)cc2)c1N,CI,0 | |
| O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12,CI,0 | |
| O=P(N1CC1)(N1CC1)N1CCN(P(=O)(N2CC2)N2CC2)CC1,CI,0 | |
| Cc1n(C)c2c([n+]1Cc1ccccc1)C(=O)c1ccccc1C2=O,CI,0 | |
| O=C(O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2,CI,0 | |
| BrCc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0 | |
| COCN1CCC2N(COC)CCC3N(COC)CCC1N23,CI,0 | |
| CCCCN(CCCC)c1ccc(C=C2C=Cc3ccccc32)cc1,CI,0 | |
| CNc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0 | |
| CCOC(C)C(C=NNC(N)=S)=NNC(N)=S,CI,0 | |
| O=C1OC(=O)c2cc3c(cc21)C(=O)OC3=Cc1ccccc1,CI,0 | |
| CC(=O)OC1=C(C)S(=O)(=O)c2ccccc21,CI,0 | |
| Clc1ccc(C=NN2CCCCCC2)cc1Cl,CI,0 | |
| CNC(=NCCCN1CCOCC1)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NCCCN4CCOCC4)NC)cc3)cc2)cc1,CI,0 | |
| Nc1cnn2cnnc2c1,CI,0 | |
| COc1cc(N(C)C)c(OC)cc1C=C1C=CC=C1,CI,0 | |
| COc1cc(N(C)C)c(OC)cc1C=C1C=Cc2ccccc21,CI,0 | |
| COc1cc(OC)c(OC)cc1C=C1C=Cc2ccccc21,CI,0 | |
| COc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0 | |
| CCN(CC)c1ccc(C=C2C=Cc3ccccc32)cc1,CI,0 | |
| COc1ccc(OC)c(C=C2C=Cc3ccccc32)c1,CI,0 | |
| Cc1cc(C=C2C=Cc3ccccc32)ccc1N(C)C,CI,0 | |
| Nc1cc(S(N)(=O)=O)ccc1SSc1ccc(S(N)(=O)=O)cc1N,CM,1 | |
| COc1cccc(-c2n[nH]c(=N)o2)c1,CI,0 | |
| CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4C(=O)O,CI,0 | |
| C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C,CI,0 | |
| c1ccc([PH](CCOCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| c1ccc([PH](CCCCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| O=P1(Cl)OCC2(CO1)COP(=O)(Cl)OC2,CI,0 | |
| N#CC1(C#N)C(C#N)(C#N)C12CCCCC2,CI,0 | |
| O=P1(NC2CCCC2)OCC2(CO1)COP(=O)(NC1CCCC1)OC2,CI,0 | |
| CCN(CC)CCC=C1c2ccccc2Sc2ccc(Cl)cc21,CI,0 | |
| Cc1nc(N)nc2c1CCC(O)S2,CI,0 | |
| CCNC(=N)Nc1ccccc1,CI,0 | |
| Nc1ccccc1-c1cc[nH]n1,CI,0 | |
| CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,CI,0 | |
| CCOc1ccc2c(ccc(C=Cc3ccc(O)c4ncccc34)[n+]2C)c1,CI,0 | |
| Cn1cnc2[nH]c(=O)n(O)c(=O)c21,CI,0 | |
| C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,CI,0 | |
| O=C(Nc1ccc(Cl)c(Cl)c1)OCC#CCOC(=O)Nc1ccc(Cl)c(Cl)c1,CI,0 | |
| C1=Cc2ccccc2C1=Cc1ccc2c(c1)OCO2,CI,0 | |
| COc1cc(N(C)C)c(OC)cc1C=C1Cc2ccccc2C1=O,CI,0 | |
| COc1ccccc1C=C1C=Cc2ccccc21,CI,0 | |
| CCCCNc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0 | |
| CNc1ccc(C=C2C=CC=C2)cc1,CI,0 | |
| N=c1c2c(ncn1N)CCN(Cc1ccccc1)C2,CI,0 | |
| Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1CCC(=O)O,CI,0 | |
| CCOC(=O)C(=O)Cc1nc2ccccc2n(C)c1=O,CI,0 | |
| O=Nc1ccc(O)cc1Cc1ccccc1,CI,0 | |
| COc1cc(C)c2c(c1C=O)Oc1c(c(C)c(O)c3c1C(O)OC3=O)OC2=O,CI,0 | |
| CSc1nc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c2n1Cc1ccccc1,CI,0 | |
| O=Nc1c(N=O)c(N=O)c(N=O)c(N=O)c1N=O,CI,0 | |
| Cc1nccnc1N1CCCCC1.O=S(=O)(O)O,CI,0 | |
| O=[N+]([O-])C1C=Nc2ccccc2N=C1,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=NO)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NO)c2c1O,CI,0 | |
| Cc1cc2c3c(coc3c1-c1c(C)cc3c4c(coc14)C(=O)C(O)=C3C(C)C)C(=O)C(O)=C2C(C)C,CI,0 | |
| S=C(Nc1cccc2ccccc12)NN1CCCCCC1,CI,0 | |
| CCCCCCCCCCCc1c(O)c(=O)c2c(oc3c(=O)c(CCCCCCCCCCC)c(O)c(=O)c3n2-c2ccc(N(C)C)cc2)c1=O,CI,0 | |
| Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccccc1,CI,0 | |
| NC(=O)CCCCC1CCSS1,CI,0 | |
| O=C(O)CCCCC1CCSS1,CI,0 | |
| CN1CCC2(CC1)OCCN2CCO,CI,0 | |
| CC1(C)OC1COc1c2occc2cc2ccc(=O)oc12,CI,0 | |
| CCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCC)c4c3O)c(O)c12,CI,0 | |
| N=C(N)NNCCOc1c(Cl)cccc1Cl.O=S(=O)(O)O,CI,0 | |
| COc1cc2c(cc1OC)C(=Cc1ccc(N(C)C)cc1)C=C2,CI,0 | |
| CC1NCCc2c1[nH]c1ccc(O)cc21,CI,0 | |
| O=c1ccc(=O)n(CN(CCCl)CCCl)[nH]1,CI,0 | |
| CC12CCC(C)(O1)C1C(=O)N(c3nccs3)C(=O)C12,CI,0 | |
| Cn1c2ccccc2c2ccc3c(c21)C(=O)C=CC3=O,CI,0 | |
| CCC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)c(CC)oc2c1,CI,0 | |
| O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3,CI,0 | |
| Cn1cnc2ccccc2c1=S,CI,0 | |
| c1ccc(N2N=NC3C4CC(C5COCC54)C32)cc1,CI,0 | |
| O=C(O)c1ccccc1C(=O)OC1CC2CC1C1OCC21,CI,0 | |
| CCCOP(=S)(NC(=N)N)OCCC,CI,0 | |
| O=C(NC(CSSCC(NC(=O)c1cnc2ccccc2n1)C(=O)O)C(=O)O)c1cnc2ccccc2n1,CI,0 | |
| CN(C)CC1(C)Cc2ccsc2C1O,CI,0 | |
| CCOc1ccc(C(=O)CCN2CCC3CCC(C3)C2)cc1,CI,0 | |
| O=C(Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(C5=NCCN5)cc4)cc(C4=NCCN4)c3)cc(C3=NCCN3)c2)cc(C2=NCCN2)c1)c1ccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc(C6=NCCN6)cc5)cc(C5=NCCN5)c4)cc(C4=NCCN4)c3)cc(C3=NCCN3)c2)cc1,CM,1 | |
| Cn1c(N)c(N=O)c(=O)n(C)c1=S,CI,0 | |
| C=CCn1c(N)c(N=O)c(=O)n(C)c1=O,CI,0 | |
| O=c1[nH]c(=O)c2ccc3c(=O)[nH]c(=O)c4ccc1c2c43,CI,0 | |
| O=C1C2C3CCC(C3)C2S(=O)(=O)C2C3CCC(C3)C12,CI,0 | |
| O=Nc1c(O)nc2ccccc2c1O,CI,0 | |
| O=C(O)C(CCSSCCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0 | |
| Cc1cc(O)nc(NN=Cc2ccc(Cl)c(Cl)c2)n1,CI,0 | |
| CCCC1C(C#N)(C#N)C1(C#N)C#N,CI,0 | |
| COc1ccc(C(=O)C2COC(=O)C2=O)cc1OC,CI,0 | |
| CCOC(=O)C(CO)c1nc2c(nc1O)c(=O)n(C)c(=O)n2C,CI,0 | |
| Cn1c(=S)c2c(nc(SCCc3ccccc3)n2CCc2ccccc2)n(C)c1=O,CI,0 | |
| CCOC(=O)C=C1C(=O)N(Cc2ccccc2)c2ccccc21,CI,0 | |
| Cn1c(=O)[nH]c2nncnc2c1=O,CI,0 | |
| NNC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,CI,0 | |
| O=C(NNc1nc(Cl)nc(Cl)n1)c1ccccc1,CI,0 | |
| O=C1C(=Cc2ccccc2Cl)CCCCC1=Cc1ccccc1Cl,CI,0 | |
| NC(CC(=O)N=CNO)C(=O)O,CI,0 | |
| O=C1C(=O)N2CCCCc3cccc1c32,CI,0 | |
| CCOC(=O)C(Cl)C1(O)Cc2cccc3cccc1c23,CI,0 | |
| Oc1nc(-c2ccccc2)nc2c1OCN(Cc1ccccc1)C2,CI,0 | |
| O=C1OC(=C2OCc3ccccc32)c2ccccc21,CI,0 | |
| CN1COc2c(n(C)c(=O)[nH]c2=O)C1,CI,0 | |
| COc1c(OC)c(OC)c2c(=O)cc(-c3ccc4c(c3)OCO4)oc2c1OC,CI,0 | |
| CS(=O)(=O)OCCCNCCCOS(C)(=O)=O,CI,0 | |
| COc1cc(OC)c2ccc(=O)oc2c1,CI,0 | |
| OCCN1CC2CCCC1O2,CI,0 | |
| ClC1(Cl)C2(Cl)C3(Cl)C4C2(Cl)C2(Cl)C4(Cl)C3(Cl)C12Cl,CI,0 | |
| CCOC(=O)NP(=O)(NC1CCCCC1)NC1CCCCC1,CI,0 | |
| Cc1ccc(NC(=O)NP(=O)(Nc2ccccc2)Nc2ccccc2)cc1Cl,CI,0 | |
| CC(C)(C)C1CCC2(CC1)CCN(N1CCCCCC1)CC2,CI,0 | |
| NC(=S)NN=C1CCCCC1=NNC(N)=S,CI,0 | |
| COc1nc(OC)n(C)c(=O)c1OP(=O)(OC)OC,CI,0 | |
| CN(C)c1ccc2nc3c(C(=O)O)cc(O)c(O)c3[o+]c2c1,CI,0 | |
| CC(C)(N)Cc1ccccc1Cl,CI,0 | |
| COc1ccc(C(=O)C(Br)=CC(=O)O)cc1,CI,0 | |
| Cc1ccc(O)c(N=O)c1,CI,0 | |
| CC1(C)NC(=O)N(C(C)(C)C(=O)O)C1=O,CI,0 | |
| Cc1ccc(C(CO)(CO)OC(CO)(CO)c2ccc(C)c(C)c2)cc1C,CI,0 | |
| Nc1c2c(nc(O)c1N=O)CCC2,CI,0 | |
| CC(C)(CCCCC(C)(C)NC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)Nc1ccc(Cl)c(Cl)c1,CI,0 | |
| CC(Cl)CN1c2ccccc2Sc2ccc(Cl)cc21,CI,0 | |
| CCOC(=O)C(CC1COc2ccccc2O1)C(=O)OCC,CI,0 | |
| CCOC(C(=O)N(C)CCN(C)CCc1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(OC7OC(C)(C)C(OC)C(OC(=O)c8ccc(C)[nH]8)C7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C,CM,1 | |
| CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I,CI,0 | |
| CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C,CI,0 | |
| Oc1ncnc2c1C(c1ccccc1)c1ccccc1-2,CI,0 | |
| c1ccc2c(c1)NC(SSC1Nc3ccccc3S1)S2,CI,0 | |
| O=c1c(=Cc2ccc(Cl)c(Cl)c2)sc2n1CCN=2,CI,0 | |
| N=C1SCC(=O)N1CCN1C(=N)SCC1=O,CI,0 | |
| Cn1c(=O)cc(CC(=O)C(=O)O)c2ccccc21,CI,0 | |
| COC1C=CC23c4cc5c(cc4C(O)OC2CN(C)C3C1)OCO5,CI,0 | |
| CC(=O)Oc1cccnc1O,CI,0 | |
| CC1(Cl)C(=O)NN=C1c1ccc([N+](=O)[O-])cc1,CI,0 | |
| CC(O)C(O)C(N)CC=O,CI,0 | |
| Clc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1,CI,0 | |
| CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,CI,0 | |
| Brc1ccc(C=C2C=Cc3ccccc32)cc1,CI,0 | |
| CCOC(=O)COc1ccc2c(C)c(CCN(CC)CC)c(=O)oc2c1,CI,0 | |
| c1ccc(CCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| CS(=O)(=O)NC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)ccc3nc2-1,CI,0 | |
| Cc1cccnc1NC(=O)NCCCl,CI,0 | |
| CCOC(=O)NP(=O)(NC(=O)NOC)NC(=O)NOC,CI,0 | |
| O=C(Nc1ccc([N+](=O)[O-])cc1)N(c1ccccn1)c1ccccn1,CI,0 | |
| O=C1NC(O)CCN1C1OC(CO)C(O)C1O,CI,0 | |
| COc1ccc(Cc2c[n+](C)cc3cc(N=O)c(OC)cc23)cc1O,CI,0 | |
| CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C(N)Cc1ccccc1.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| CC1(C)Oc2ncnc(N)c2C1c1ccccc1,CI,0 | |
| O=S(=O)(O)CCS,CI,0 | |
| CCOC(=O)Nc1cc(Nc2ccc(Cl)cc2)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2n1,CI,0 | |
| O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,CI,0 | |
| Cc1coc(NS(=O)(=O)c2ccc(N=Nc3c(N)n(C)c(=O)n(C)c3=O)cc2)c1C,CI,0 | |
| Cn1c(N)c(N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(=O)n(C)c1=O,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(N)(=O)=O)cc1,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CI,0 | |
| CC1([N+](=O)[O-])COP(=O)(Nc2cccc(Cl)c2)OC1,CI,0 | |
| COc1cc2c(cc1OC)C(Cc1ccccc1NC(=O)c1ccc(C(=O)Nc3ccccc3CC3c4cc(OC)c(OC)cc4CCN3C)cc1)N(C)CC2,CI,0 | |
| CC(=O)NCC(=O)O.N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1,CI,0 | |
| CNc1ccc(C=C2C=Cc3ccccc32)cc1Br,CI,0 | |
| CNc1c(Br)cc(C=C2C=Cc3ccccc32)cc1Br,CI,0 | |
| Cc1c(CCC(C)C)oc2cc3oc(CCC(C)C)c(C)c3cc12,CI,0 | |
| O=c1[nH]c2ncsc2c(=O)n1O,CI,0 | |
| O=C1N=C(NO)c2ccccc21,CI,0 | |
| O=Nc1cc(-c2nccc3ccccc23)[nH]c1-c1ccccc1,CI,0 | |
| c1ccc([S+](C[Hg]C[S+](c2ccccc2)c2ccccc2)c2ccccc2)cc1,CI,0 | |
| Cc1ccc([PH](Cc2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1,CI,0 | |
| Cc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1,CI,0 | |
| Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1C)c1ccccc1C,CI,0 | |
| COc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1,CI,0 | |
| N#CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| CC(C)C1CC=CCC12C(=O)NC(=O)NC2=O,CI,0 | |
| O=C1OC2(O)c3ccccc3C(=O)N2N2CCCC12,CI,0 | |
| Cc1ccc2c(c1)S(=O)(=O)N(C)C(c1ccccc1)=C2,CI,0 | |
| CC(O)(c1ccccc1)c1ccc2ccccc2n1,CI,0 | |
| CN(C)c1ccc(C=C2C=Cc3ccccc32)cc1F,CI,0 | |
| CNc1ccc(C=C2C=Cc3ccccc32)cc1I,CI,0 | |
| COC(=O)CC1C(C)(C)C(=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,CI,0 | |
| Cn1c(=O)[nH]c2c(c1=O)CCCS2,CI,0 | |
| Cc1c(CCO)c(=O)n2n1CCCC2,CI,0 | |
| COC(=O)C1C2CC(=NO)C1C2,CI,0 | |
| O=P(c1ccccc1)(c1ccccc1)N1N=NNC1=Cc1ccc(Cl)cc1,CI,0 | |
| c1ccc(CN2CCc3[nH]c4ccccc4c3C2)cc1,CI,0 | |
| CC1CCCC2=C1C(=O)N(CSCN1C(=O)C3=C(C1=O)C(C)CCC3)C2=O,CI,0 | |
| CCCCc1ccc(C2=C(O)C(=O)C(c3ccc(CCCC)cc3)=C(O)C2=O)cc1,CI,0 | |
| COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,CI,0 | |
| O=C1NC(=O)C(Cc2ccccc2Cl)N1,CI,0 | |
| COC(=O)N1C2C3CC4C2C4C3N1C(=O)OC,CI,0 | |
| CC(=O)OC1c2ccccc2C2c3ccccc3C1C2(C)C(Cl)(Cl)Cl,CI,0 | |
| C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C=C)c4n1[Fe-3]31(Cl)n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2,CI,0 | |
| COC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O,CI,0 | |
| COC(CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1,CI,0 | |
| CSc1ccc(C=Cc2ccnc3ccccc23)cc1,CI,0 | |
| Nc1c(Br)cc(C=C2C=Cc3ccccc32)cc1Br,CI,0 | |
| N#CC(=Cc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-],CI,0 | |
| CC1(C)OC2OC(CO)C(N)C2O1,CI,0 | |
| O=S(=O)(O)CC(O)CSSCC(O)CS(=O)(=O)O,CI,0 | |
| CC=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| O=C(O)C=CCCC1SCC2NC(=O)NC21,CI,0 | |
| CC1CCc2c(c(CC3CC(=O)NC(=O)C3)nn2-c2ccccc2)C1,CI,0 | |
| C=CCC(C(=N)C(C#N)(CC=C)C1=CCCCC1)C1=CCCCC1,CI,0 | |
| COC1=CC23CCCN2CCc2cc4c(cc2C3C1O)OCO4,CI,0 | |
| CCOC(=O)CN(c1sc(C)c(CC)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1,CI,0 | |
| CC1=C(C)C2(C#N)CC(=O)N=C2O1,CI,0 | |
| CCOC(=O)CN(c1scc(-c2ccccc2)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1,CI,0 | |
| O=[N+]([O-])c1cccc(-c2nc3ccccc3[nH]2)c1,CI,0 | |
| Clc1ccc2nc3nc(-c4ccccc4)c(-c4ccccc4)nc3nc2c1,CI,0 | |
| Cc1ccc2nc3nc(C)c(C)nc3nc2c1,CI,0 | |
| Cc1ccc2[nH]c(-c3ccccc3Cl)nc2c1,CI,0 | |
| CCCCCCCNC1=C(O)C(=O)c2ccccc2C1=O,CI,0 | |
| COC(=O)C1(C)CCCC2(C)C3CC(CO)C(C(C)C)CC3CCC12,CI,0 | |
| CC(C)=C1C2CCC1C1CSCC21,CI,0 | |
| Cc1ccccc1NS(=O)(=O)c1c(N)ncn1C,CI,0 | |
| COc1ccc(C(C#N)=Cc2ccccc2)cc1,CI,0 | |
| CN(C)CC(CN(C)C)c1cccc(C(CN(C)C)CN(C)C)n1,CI,0 | |
| CCOC(=O)C(C)(C)C(OP(OCC)OCC)=C(C)C,CI,0 | |
| Oc1nc(N2CCOCC2)nc2cc3ccccc3cc12,CI,0 | |
| CCOC(=O)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| O=C1C=C(O)C(=NO)c2ccccc21,CI,0 | |
| COc1cc2c(cc1Oc1c(O)c(OC)cc3c1C(C)N(C)CC3)C(C)N(C)CC2,CI,0 | |
| c1ccc([PH](Cc2cccc3c2Cc2ccccc2-3)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| CN1CCC2(CC1)N=C1CCN(C)CC1S2,CI,0 | |
| Cc1nnc(NS(=O)(=O)c2ccc(N=NC3SC(=S)NC3=O)cc2)s1,CI,0 | |
| Cc1ccc(S(=O)(=O)SC(SCC(=O)c2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)cc1,CI,0 | |
| O=S(=O)(SCCCCSS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0 | |
| CCOC(=O)c1cn2c3c(cccc3c1=O)CC2,CI,0 | |
| N#CC1CC12c1ccccc1C(=O)c1ccccc12,CI,0 | |
| CC1=CC(C)C(=O)N(CC(C)N2CCCC2)C(C)=C1,CI,0 | |
| CC1=CC(C)C(=O)N(C)C(C)=C1,CI,0 | |
| O=C(c1ccccc1)N1CCCCC(Cl)C1=O,CI,0 | |
| C=C1C(=O)OC2CC(C)C3CC(O)OC(OCC)C3(C)CC12,CI,0 | |
| CN1C2c3ccccc3C3C4c5ccccc5C(C31)C(C2[N+](=O)[O-])N4C,CI,0 | |
| CCOC(=O)C(Cc1cc(=O)n(C)c2ccccc12)=NNc1ccccc1,CI,0 | |
| COc1cc2ccc(C(=O)O)cc2cc1OC,CI,0 | |
| NC(=O)C(NN=C(c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| NC(=O)C(NN=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1,CI,0 | |
| O=S(=O)(F)c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1,CI,0 | |
| CCOC(=O)C1(C(=O)OCC)COC(=O)C1CN1Cc2cc3ccccc3nc2C1,CI,0 | |
| CCC[n+]1nc(Nc2ccccc2[N+](=O)[O-])c2ccccc2n1,CI,0 | |
| N=C1NC2OC(CO)C(O)C2O1,CI,0 | |
| Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)n1,CI,0 | |
| Cc1ccc(C(=O)C=C2SSC(=CC(=O)c3ccc(C)cc3)S2)cc1,CI,0 | |
| CCOC(=O)n1[nH][nH]c2c(c(=O)n(C)c(=O)n2C)n1C(=O)OCC,CI,0 | |
| CC(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| Cc1ccc(S(=O)(=O)SCC(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0 | |
| CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C12CO2,CI,0 | |
| COC1C(=O)CCC2(CO2)C1(O)C1(C)OC1CC=C(C)C,CI,0 | |
| COc1ccc(N=c2ssc(SC)c2-c2ccccc2)cc1,CI,0 | |
| Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCN3C(=O)c4ccccc4C3=O)cc2)n1,CI,0 | |
| NC(=O)c1[nH]nc(C2OC(CO)C(O)C2O)c1O,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccccc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| CCOC(=O)N1CCN(C(=O)COc2cc3c(O)c4c(O)c(C)c5c(c24)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N3)O5)CC1,CI,0 | |
| NS(=O)(=O)c1cc[n+]([O-])c2ccccc12,CI,0 | |
| Cc1ccc(S(=O)(=O)N(CCC(=O)O)c2ccccc2)cc1,CI,0 | |
| Cc1nnc2ccc([N+](=O)[O-])cc2c1O,CI,0 | |
| O=C(c1ccccc1)C(O)(CC(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC5CCCCCCCCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1=CC(=O)OC1=C(OC)C1OC1c1ccccc1,CI,0 | |
| CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21,CI,0 | |
| COc1ccc(CC2NCC(O)C2OC(C)=O)cc1,CI,0 | |
| O=C1CN=C(c2ccccn2)c2cc(Cl)ccc2N1,CI,0 | |
| O=C1CSCC(=O)O1,CI,0 | |
| O=C(O)c1ccc(SSc2ccc(C(=O)O)cn2)nc1,CI,0 | |
| C1CCC(NC2CCCCC2)CC1.O=C(O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N=Cc1cccs1,CI,0 | |
| O=[N+]([O-])c1ccc(N2N=NC3C4CCC(C4)C32)cc1,CI,0 | |
| CCOC(=O)C=C1Nc2cc(Cl)c(Cl)cc2NC1=O,CI,0 | |
| COc1ccc(CCNC(=O)Cc2cc(OC)c(OC)cc2Br)cc1OC,CI,0 | |
| CCOC(=O)c1c(-c2ccccc2)csc1N,CM,1 | |
| N#CC(=Cc1cccs1)c1ccccc1,CI,0 | |
| O=C1c2ccccc2C(=O)c2sccc21,CI,0 | |
| O=C1c2ccccc2CC1(Br)C(Br)c1ccccc1,CI,0 | |
| O=C1c2ccccc2C(=O)C1(Br)C(Cl)c1ccccc1,CI,0 | |
| O=C1c2ccccc2C(=O)C1(Br)C(Br)c1ccccc1,CI,0 | |
| [O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)[nH]c1c3ccccc3[s+]cc21,CI,0 | |
| CC1CC(C)(C)NC(=CC(=O)N2Cc3cc4ccccc4nc3C2)O1,CI,0 | |
| CCOC(=O)CC1=NC(C)(C)CC(C)O1,CI,0 | |
| O=CC1(C(O)C2SCCCS2)SCCCS1,CI,0 | |
| CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.CC1C[N+](C)=C2CCCCC2=C1O,CI,0 | |
| CCCC(CC)C(C(=O)OCC)C1=NC(C)(C)CC(C)O1,CI,0 | |
| CC1CC(C)(C)N=C(C(C)CC(C)(C)C)O1,CI,0 | |
| O=S1(=O)CC2OC(c3ccccc3)OC2C1,CI,0 | |
| CC1=C[PH](CCc2ccccc2)(CCc2ccccc2)C=C1C,CI,0 | |
| O=[N+]([O-])c1ccc([N+](=O)[O-])c(Cl)c1,CI,0 | |
| Cc1noc2nccnc12,CI,0 | |
| COc1cc(C=Nc2cc(Cl)c(N=O)c(Cl)c2)ccc1N(CCCCl)CCCCl,CM,1 | |
| Cc1ccc(S(=O)(=O)NC(CSSCC(NS(=O)(=O)c2ccc(C)cc2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1,CI,0 | |
| COc1ccc(N=CC=Cc2ccccc2)cc1,CI,0 | |
| C(=Nc1ccccc1)c1ccc(C=Nc2ccccc2)cc1,CI,0 | |
| N#CC(C=Cc1ccccc1)Nc1ccccc1,CI,0 | |
| C(=Cc1ccccc1)C=Nc1ccc(CCc2ccc(N=CC=Cc3ccccc3)cc2)cc1,CI,0 | |
| N#CC1CC(c2cccs2)Nc2ccccc2N1,CI,0 | |
| NC1=C(c2ccccc2)C(=O)c2ccccc21,CI,0 | |
| CCCCCCC.CN1C(=O)CN=C(c2ccc[nH]2)c2cc(Cl)ccc21,CM,1 | |
| N#Cc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0 | |
| CCOC(=O)C(C=Nc1ccc(S(N)(=O)=O)cc1)C(=O)OCC,CI,0 | |
| c1ccc(P2CCc3[nH]c4ccccc4c3C2)cc1,CI,0 | |
| CCCCCCCCCCCCCCCC(=O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,CI,0 | |
| CN(C)CCCNC(CC#N)CCC#N,CI,0 | |
| CN(C)c1cc2c3c(c1)CCCN3CCC2,CI,0 | |
| Cc1nc2[nH][nH]c(=N)c2nc1C,CI,0 | |
| Cc1ncc2c[n+]([O-])ccn12,CI,0 | |
| CCN(CC)CCN1C(=O)CN=C(c2ccccn2)c2cc(Cl)ccc21,CI,0 | |
| CCC(Cc1ccccc1)C1=NC(C)(C)CC(C)O1,CI,0 | |
| CC1CC(C)(C)N2CCC(C(=O)N3Cc4cc5ccccc5nc4C3)C2O1,CI,0 | |
| CCC1OC2CS(=O)(=O)CC2O1,CI,0 | |
| CCOC(=O)C=CSCCCC(=O)O,CI,0 | |
| CCCCCCCC(=O)OC1C2C(CC1(C)C)C(=O)C13OC1C(=O)C1(CO1)C23C,CI,0 | |
| COc1ccc(C(C(N)=O)N2CCOCC2)cc1,CI,0 | |
| CC1CCC2CC(=O)NC(=O)CC12,CI,0 | |
| NC(=O)C(c1ccccc1)N1CCCC1,CI,0 | |
| NC(C(=O)O)C1CC(Cl)=NO1,CI,0 | |
| Oc1ccc2ccccc2c1C1=NN2C(=S)NNC2=NN1,CI,0 | |
| CCOc1cc(C2=NN3C(=S)NNC3=NN2)ccc1O,CM,1 | |
| O=[N+]([O-])c1ccc(C2Nc3cc(Cl)c(Cl)cc3S(=O)(=O)N2O)cc1,CI,0 | |
| Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O,CA,1 | |
| Cc1cc(C)nc(NC(=O)Nc2ccccc2)c1,CI,0 | |
| O=C1C(I)=CC(=C(c2cc(I)c(O)c(I)c2)c2ccccc2C(=O)O)C=C1I,CI,0 | |
| S=C(Nc1ccccc1)Nc1ccccc1S,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCC=C(C)CCC=C(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| C[N+](C)(C)CCC[N+](C)(C)CCN1C(=O)c2cccc3cccc(c23)C1=O,CI,0 | |
| CN(C)c1nn2c(-c3ccccc3)nnc2s1,CI,0 | |
| COc1ccc(OC)c(C=Cc2cnnc3ccccc23)c1,CI,0 | |
| CC(C)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)NN,CI,0 | |
| COc1cc2cnc3c4cc(OC)c(OC)cc4ccc3c2cc1OC,CI,0 | |
| CCC1=C2C(=O)c3ccccc3C2=C(C)S(=O)(=O)O1,CM,1 | |
| CNC(=O)OCC1=CC(=O)C(OC)=CC1=O,CI,0 | |
| CNC(=O)OCC1=CC(=O)C(C)=CC1=O,CI,0 | |
| O=c1n(-c2ccccc2)c(=O)n2n1C1C=CC=CC2C2CCC21,CI,0 | |
| O=C1OCCN1N1C(=O)CC2(CCN(Cc3ccccc3)CC2)C1=O,CI,0 | |
| CN1CCC(OC(=O)C(O)(C#Cc2ccccc2)c2ccccc2)CC1,CI,0 | |
| Nc1snc2ncccc12,CI,0 | |
| COc1cc2cc[n+](C)c(Cc3ccccc3)c2cc1OC,CI,0 | |
| Cc1cc(NC(=O)NCC(Cl)=CCl)c2ccccc2n1,CI,0 | |
| N#CCCC(CC#N)S(=O)(=O)O,CI,0 | |
| C=C(Br)CNC(=O)Nc1ccccn1,CI,0 | |
| O=C(CCC[n+]1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F,CI,0 | |
| Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,CI,0 | |
| NC(=O)N1c2ccccc2C=Cc2ccccc21,CI,0 | |
| COc1cc(CC2C(O)C3CCN2CC3)cc(OC)c1OC,CI,0 | |
| CN(C)c1ccc(N=Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1,CI,0 | |
| CC(=O)C1c2ccccc2C(C(C)=O)(c2ccccc2)C1c1ccccc1,CI,0 | |
| CC(C)(C)C1COP(=S)(C(C)(C)C)OC1.CC(C)(C)C1COP(=S)(C(C)(C)C)OC1,CI,0 | |
| CCN(CC)S(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,CI,0 | |
| C[N+]12CN3CN(C1)S(=O)(=O)N(C3)C2,CI,0 | |
| COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,CI,0 | |
| CCCCCCCCCCNC(C)=O,CI,0 | |
| O=C(O)c1cnn2c(=S)[nH]cnc12,CI,0 | |
| COC(=O)C1ON(C(=O)c2ccccc2)C(C)C2OC12,CI,0 | |
| CN(C)CC1C2C=CC(C3CC23)C1CN(C)C,CI,0 | |
| CC(C(=O)O)=C(C)c1ccccc1.CC(C(=O)O)=C(C)c1ccccc1,CI,0 | |
| C[Sn](C)(Cl)Cl.Oc1ccccc1C=NCCN=Cc1ccccc1O,CI,0 | |
| N#CC(=Cc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| N#CC(=Cc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1,CI,0 | |
| CC1C(N2CCCCC2)N(C(=O)c2ccccc2)SC12c1ccccc1-c1ccccc12,CI,0 | |
| CCC(C(=O)OC)C1CCN(C)C(=O)C12CO2,CI,0 | |
| O=C1NC2CC=CCC12,CI,0 | |
| O=C1NC(c2ccco2)N2C(=O)NC(c3ccco3)N12,CI,0 | |
| C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc21,CI,0 | |
| C(=Cc1nc2ccccc2o1)c1ccc2c(c1)OCO2,CI,0 | |
| CS(=O)(=O)c1ccc(C=C2C=Cc3ccccc32)cc1,CI,0 | |
| c1ccc(C(c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| CCCCN(CCCC)N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0 | |
| C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)O)c4n1[Co-2]31n3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)O)=C2C,CI,0 | |
| N=C1NC2=NC(=O)C(=O)N2N1,CI,0 | |
| CC(O)(c1ccncc1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1,CI,0 | |
| CCOC(=O)c1c(C)c2c(n1C)CCc1c[nH]nc1-2,CI,0 | |
| CCCCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O,CI,0 | |
| Clc1ccc2c(c1)Sc1ccc(Cl)cc1S2,CI,0 | |
| C=C1CCOC2(C(O)C(C)(O)CO)NC(=O)C1(O)NC2=O,CI,0 | |
| CCO.CCOC(=O)Nc1cc2c(c(N)n1)N=C(CN(C)c1ccccc1)CN2,CI,0 | |
| CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O.O=S(=O)(O)O,CI,0 | |
| COc1ccc(CN2CC(C)N(N=Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N4)O6)C(C)C2)cc1,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| Cc1cc(C)[s+]s1,CI,0 | |
| Cl[Pd-2]1(Cl)NCC[N+]12CC2,CI,0 | |
| C[PH]1(c2ccccc2)CCC(N)=C(C#N)C1,CI,0 | |
| Cn1cccnc1=O,CI,0 | |
| N=C(CS)NC1CCCCC1,CI,0 | |
| N=C(CS)NCc1ccccc1,CI,0 | |
| C(=CCSc1ccccc1)CSc1ccccc1,CI,0 | |
| CCOP1(=O)OCC(C(C)(C)C)CO1,CI,0 | |
| Cc1cccnc1NC(=S)Nc1cccc(C(F)(F)F)c1,CI,0 | |
| Cc1ccc(C(C#N)=Cc2cccc([N+](=O)[O-])c2)cc1,CI,0 | |
| O=C1c2cccc3cccc(c23)C(=O)N1NCCO,CI,0 | |
| CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| COc1ccc(-c2sc(N=Cc3cc(OC)c(OC)c(OC)c3)c(C#N)c2C)cc1OC,CI,0 | |
| Clc1ccccc1C=NCC1CCC(CN=Cc2ccccc2Cl)CC1,CI,0 | |
| S=C1SCN(C(c2ccccc2)c2ccccc2)CN1C(c1ccccc1)c1ccccc1,CI,0 | |
| S=c1[nH]c2ccccc2o1,CI,0 | |
| NS(=O)(=O)c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1,CI,0 | |
| Cc1ccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)c(C)c1,CI,0 | |
| Cc1nc(N)nc(N)c1CCCc1ccccc1,CI,0 | |
| COC1OC2COc3ccccc3OC2C(NC(N)=S)C1OC,CI,0 | |
| COc1cccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)c1,CI,0 | |
| COc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)c(OC)c1OC,CI,0 | |
| OCC(Oc1ccccc1)C(O)C(O)C(CO)Oc1ccccc1,CI,0 | |
| O=C1CSC(=S)N1Cc1ccncc1,CI,0 | |
| COc1ccc(C(Nc2ccc([N+](=O)[O-])cc2)P(=O)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| CCOC(=O)C(CCc1ccccn1)C(C)=O,CI,0 | |
| O=C(C[N+]12CCC(O)C1C(CO)CC2)c1ccc(Br)cc1,CI,0 | |
| Nc1ncnc2nc(-c3ccc(C[PH](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)[nH]c12,CI,0 | |
| Nc1nc(N)c(CCCCc2ccccc2)c(C=O)n1,CI,0 | |
| O=S(=O)(F)c1ccc(Cl)cc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| C=C1CC[N+]2(CCCCCC)CCCC12,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6cccc(O)c6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| CC1C=CC(C(=O)O)C2C(=O)OC(=O)C12,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc([N+](=O)[O-])cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| Cc1nonc1C(=O)NN,CI,0 | |
| OCC1OC2NC(=S)OC2C1O,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(CO)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O,CI,0 | |
| COc1cccc(CN2CCN(N=Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N4)O6)CC2)c1,CI,0 | |
| COc1cc2c(c3oc4c(c(=O)c13)CCCC4)CCC(C)(C)O2,CI,0 | |
| COc1ccc(-c2c(O)c3c(OC)cc(OC)cc3oc2=O)cc1,CI,0 | |
| O=c1oc2ccccc2c(O)c1-c1cccc2ccccc12,CI,0 | |
| C[N+]1(CC(=O)O)C2CCC1CC(O)C2,CI,0 | |
| CCOC(=O)C[N+]1(C)CCC(O)CC1,CI,0 | |
| O=C1CCC(N2C(=O)C3C4c5ccccc5C(c5ccccc54)C3C2=O)C(=O)N1,CI,0 | |
| Cc1ccnc(NC(=O)Nc2cc(Cl)ccc2Cl)c1,CI,0 | |
| CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O,CI,0 | |
| COC(OC)c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0 | |
| CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(OC(C)=O)C2(C)C(C(C)CC=C(c3ccccc3)c3ccccc3)CCC12,CI,0 | |
| CCC1c2cc3n(c(=O)c2COC1O)Cc1c-3nc2ccccc2c1Cl,CI,0 | |
| O=c1oc2c(-c3ccccc3)cccc2c(O)c1-c1ccccc1,CI,0 | |
| CC1(C)CCc2cc3c(O)c(-c4ccccc4)c(=O)oc3cc2O1,CI,0 | |
| COc1ccc2c(c1)CCC1C(=O)NN=C21,CI,0 | |
| COc1cc2ccc3c(c2cc1OC)CCc1cn[nH]c1-3,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(OC(C)=O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O,CI,0 | |
| N=c1sc(=S)[nH]c2[nH]ncc12.c1ccncc1,CI,0 | |
| CNc1ncc2nc(C)c(=O)n(C)c2n1,CI,0 | |
| Cc1cn(C2CC(O)C(CN=[N+]=[N-])O2)c(=O)[nH]c1=O,CI,0 | |
| Cc1ccc(C)c2c1C(=O)N(c1ccccc1)C2=O,CI,0 | |
| COc1cc2c(cc1OC)C1CC(=O)C(CCCCCCC3CN4CCc5cc(OC)c(OC)cc5C4CC3=O)CN1CC2,CI,0 | |
| O=C1CC(c2ccccc2)C(c2ccccc2)C1=O,CI,0 | |
| N#CC12C3C4C5C3C1n1c(=O)n(-c3ccccc3)c(=O)n1C5C42,CI,0 | |
| COc1c(OC(C)=O)cc2c(OC(C)=O)c1CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)N2,CI,0 | |
| CC12CC3(C)CC(C)(C1)CC(C(NC(C)(C)C)C(=O)O)(C2)C3,CI,0 | |
| COc1cc(OC)c(C=Cc2ccnc3ccccc23)c(OC)c1,CI,0 | |
| CCOC(OCC)c1ccc(-n2c(=S)[nH]cc(C#N)c2=N)c2c1OC2=NC=C(C#N)C#N,CI,0 | |
| Cc1cc2nc3c4ccccc4n(C)c3nc2cc1C,CI,0 | |
| COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3C(=O)N(C)C(Cc4ccc(O)c(c4)Oc4ccc(cc4)C3O)C(=O)NC(C)C(=O)NC(C)C(=O)N2C)cc1,CI,0 | |
| O=CN(SSN(C=O)C1CCCCC1)C1CCCCC1,CI,0 | |
| CCCNCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4,CI,0 | |
| CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O,CI,0 | |
| Cc1ccccc1Nc1nc(-c2ccccc2)nc(N)c1N=O,CI,0 | |
| COC(=O)C=C1Nc2c(n(C)c(=O)n(C)c2=O)NC1=O,CI,0 | |
| CC(=O)OC1C(CNC(=O)N(C)N=O)OC(OC2(CNC(=O)N(C)N=O)OC(CNC(=O)N(C)N=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| C=C1C(=O)OC2CC(C)C3C=CC(=O)C3CC12,CI,0 | |
| Nc1ccnc(N)c1N=O,CI,0 | |
| Cc1cc(N(C)C)c(C=O)c(C)c1C=O,CI,0 | |
| COc1ccc(CC2=CC(=O)C(=O)C=C2C)cc1,CI,0 | |
| COc1ccc(C=C2C=C3OCOC3=CC2=O)cc1,CI,0 | |
| COc1ccccc1N1C(=O)CSC1=Nc1ccccc1,CI,0 | |
| CC(=O)c1c(O)cc2c(c1O)C1CC(C)(CCC1=C(C)C)O2,CI,0 | |
| CC1=Nc2ccc(Cl)cc2N=C(C)C1,CI,0 | |
| CC1=Nc2ccc(C)cc2N=C(C)C1,CI,0 | |
| O=[N+]([O-])c1ccc(C2CC(c3ccccc3)=Nc3ccccc3S2)cc1,CI,0 | |
| C#CC1(O)CCC2C3CCC4=Cc5oncc5CC4(C)C3CCC21C,CI,0 | |
| COc1cc2c(cc1O)-c1n[nH]cc1CCC2,CI,0 | |
| COC1=CC(=O)C=C(CO)C1=O,CI,0 | |
| COc1cc2c(cc1O)C1CC(CC3CCCCN31)OC(=O)C=Cc1ccc(O)c-2c1,CI,0 | |
| O=C1CC2(Cl)CN3c4ccccc4C(=O)CC3(Cl)CN2c2ccccc21,CI,0 | |
| c1ccc2oc(NCCSSCCNc3nc4ccccc4o3)nc2c1,CI,0 | |
| c1ccc2sc(NCCSSCCNc3nc4ccccc4s3)nc2c1,CI,0 | |
| O=S(=O)(NCCSSCCNS(=O)(=O)c1ccccc1)c1ccccc1,CI,0 | |
| O=S(=O)(NCCSSCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0 | |
| O=S(=O)(NCCSSCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1,CI,0 | |
| COc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(OC)cc2)cc1,CI,0 | |
| O=[N+]([O-])c1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0 | |
| CC(=O)Nc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CI,0 | |
| O=S(=O)(NCCSSCCNS(=O)(=O)c1cccc2cccnc12)c1cccc2cccnc12,CI,0 | |
| COc1ccc2c3c(cnc2c1)P(C)(=O)CC3,CI,0 | |
| COc1cc2c(cc1OC)C1CC(OC(=O)c3ccccc3)(c3nccc4cc(OC)c(OC)cc34)CCN1CC2,CI,0 | |
| COCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O,CI,0 | |
| CCOC(=O)c1cn2ccccc2c(C(=O)c2cccnc2)c1=N,CI,0 | |
| CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1CCC2,CI,0 | |
| CN1C(=O)C23CCCN2C(=O)C1(C)SC(=N)S3,CI,0 | |
| CN1C(=O)C2(C)SSC1(C)C(=O)N2C,CI,0 | |
| CN1C(=O)C2CCCN2C(=O)C1(C)NC(=O)OCc1ccccc1,CI,0 | |
| O=C1NNC2CCCCC2O1,CI,0 | |
| COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2nc1O,CI,0 | |
| O=C1O[Pt-2]2(NC3CCCC3N2)OC1=O,CI,0 | |
| CCOC(=O)Nc1ccc2nc(N3CCCCCC3)sc2c1,CI,0 | |
| COc1ccc2c(c1)CSCC2=O,CI,0 | |
| O=C1CC(C2(c3ccc4c(c3)OCO4)SCCCS2)CO1,CI,0 | |
| Cc1cccc(C)c1N=O,CI,0 | |
| O=c1oc2c(c(=O)n1-c1ccccc1)CC1(CCCCC1)C2,CI,0 | |
| CSc1nc(O)c(N)c(C(N)=O)n1,CI,0 | |
| O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCN(CCO)CC1,CI,0 | |
| N=C1NS(=O)(=O)N=C2NON=C12,CI,0 | |
| Clc1cccc2nn3ccnc3n12,CI,0 | |
| Cc1c([N+](=O)[O-])oc2c1C(=O)NCCC2,CI,0 | |
| C1=CC2=[S+][Zn-2]3(ON2C=C1)ON1C=CC=CC1=[S+]3,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1=C1SSC(=C2C(=O)N(c3ccccc3)N=C2C)S1,CI,0 | |
| S=C(Nc1ccc(N=Nc2ccccc2)cc1)SCc1ccc2c(c1)OCO2,CI,0 | |
| COc1ccc(Oc2c(OC)cc(NCc3ccc(CN)cc3)c3ncccc23)cc1.O=C(O)C=CC(=O)O,CI,0 | |
| O=C1NCCN1C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0 | |
| Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CN,CI,0 | |
| O=C1c2ccncc2C(=O)c2c(O)ccc(O)c21,CI,0 | |
| COCc1c(C)oc2c(C)c3oc(=O)cc(C)c3cc12,CI,0 | |
| CCOC(=O)C(C#N)=C1c2ccccc2C(=O)C1(Cl)C(N)=O,CI,0 | |
| CC(C(=O)O)c1ccc2c(c1)Cc1ccccc1-2,CI,0 | |
| COc1ccc(C2=CC(=C3C(=O)Oc4ccccc4C3=O)SS2)cc1,CI,0 | |
| O=C1OC(Cc2ccccc2)=C(Cl)C(Cl)(Cc2ccccc2)C1Cl,CI,0 | |
| CN1C(=O)Cn2c(nn(Cc3ccccc3)c(=O)c2=O)-c2cc(Cl)ccc21,CM,1 | |
| CN(C)P(=O)(N(C)C)N(C)C.C[Sn](C)(Cl)Cl,CI,0 | |
| COC1=CC2C3Cc4c(-c5cc(OC)c(O)c6c5CC5C7C=C(OC)C(=O)CC67CCN5C)cc(OC)c(O)c4C2(CCN3C)CC1=O,CI,0 | |
| Cc1nc2nc3n(c(=O)c2nc1C)CCS3,CI,0 | |
| COc1cc(OCc2ccccc2)c(O)cc1-c1coc2cc(OCc3ccccc3)ccc2c1=O,CI,0 | |
| COc1cc(-c2coc3cc(O)ccc3c2=O)c(O)c(OC)c1OC,CI,0 | |
| Cn1c(=O)c2c(ncn2CC(=O)NN=C2SCC(=O)N2Cc2ccccc2)n(C)c1=O,CI,0 | |
| COC(=N)CCSSCCC(=N)OC,CI,0 | |
| Cc1ccc2c(c1)C(=O)C(Cl)(C(Cl)c1ccccc1)S2,CI,0 | |
| CN1C(=O)c2ccccc2Cc2c(NCc3ccccc3)ncnc21,CI,0 | |
| C1OC2OCC1O2,CI,0 | |
| NC1=NS(=O)(O)=NC(N)=C1N=Nc1ccccc1,CI,0 | |
| NC1=NS(=O)(O)=NC(N)=C1N=Nc1cccc(Cl)c1,CI,0 | |
| NC1=NS(=O)(O)=NC(N)=C1N=Nc1ccc([N+](=O)[O-])cc1,CI,0 | |
| C=C1CC23CC4C5C6(C)CC(O)CC57C(C2C(O)C1C(O)C37)N4C6,CI,0 | |
| COC1C2CC3C4(CCC5C6(C)CCCC53C(C14)N(C)C6)CC21CCC23C4C=C5C6=C(CCC5(CC42)C3O1)C1(C)CC(C6)CN(C)C1,CM,1 | |
| C1CSCCCSCCCSCCCSC1,CI,0 | |
| Cc1cc(=O)n2c(nc3cc([N+](=O)[O-])ccc32)s1,CI,0 | |
| COc1ccc(CN2COc3c(ccc4ccccc34)C2)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)Sc2nnnn2-c2ccccc2)cc1,CI,0 | |
| CS1(=O)=NC(=N)c2ccccc21,CI,0 | |
| CS1(=O)=NC(=NC(=O)Nc2ccccc2)c2ccccc21,CI,0 | |
| Clc1ccccc1CN1COc2c(ccc3ccccc23)C1,CI,0 | |
| COc1ccc2[nH]c3cc4c(=O)c5cc(OC)ccc5[nH]c4cc3c(=O)c2c1,CI,0 | |
| O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1,CI,0 | |
| O=c1c2c([nH]n1-c1ccccc1)-c1ccccc1CS2,CI,0 | |
| COc1cc2c(cc1OC)C13CCC(O)CC1=CC2(C)O3,CI,0 | |
| CSC1(CC(=O)N(C)C)C(=O)Nc2ccccc21,CI,0 | |
| CN1C(=O)CC(Sc2ccccc2)c2cc(Cl)ccc21,CI,0 | |
| O=C(CC1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccccc1,CI,0 | |
| S=C1SC2(CCCC2)NC2=C1CCC2,CI,0 | |
| CC[As](CC)SCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| O=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(O)c21,CI,0 | |
| CC1=CSC2=NCCCCN12,CI,0 | |
| CC(C)(C)c1cc(C(C)(C)O)c2c(c1)C(C)(C)OS2(C)Cl,CI,0 | |
| CCOC(=O)C(=NO)C1=CSC2=NNC(C)(C)N12,CI,0 | |
| COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(OC)C(C)O1,CI,0 | |
| CC(=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccccc1.F[B-](F)(F)F,CI,0 | |
| c1ccc(-c2c[se]nn2)cc1,CI,0 | |
| C=C1C2CCC3C(CCC4C5(C)CCCC43C3OCCN3C5)(C2)C1O,CI,0 | |
| N=c1[nH]c2cc([N+](=O)[O-])cnc2s1,CI,0 | |
| CCN(CC)c1c(C)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12,CI,0 | |
| CCN(CC)c1c(C)nnc2c(-c3ccccc3)cnn12,CI,0 | |
| CCN(CC)c1c(-c2ccccc2)nnc2c3ccccc3nn12,CI,0 | |
| O=S(=O)(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1,CI,0 | |
| CC[Sn]1(CC)OC2C(O)OC(CO)C(O)C2O1,CI,0 | |
| CC1(C)CCCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1,CI,0 | |
| CC=C=C(C)CN,CI,0 | |
| COC(=O)C(C)NC1=C(Cl)C(=O)C(NC(C)C(=O)OC)=C(Cl)C1=O,CI,0 | |
| COS(=O)(=O)O.C[S+](C)c1ccc(Cl)cc1,CI,0 | |
| O=C1CCC(C(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)C1,CI,0 | |
| COC(=O)Nc1cn2ccc(C(Cl)=C(Cl)Cl)cc2n1,CI,0 | |
| CN(C)P1(=O)NCC(C(C)(C)C)CO1.CN(C)P1(=O)NCC(C(C)(C)C)CO1,CI,0 | |
| CCOC(=O)NN(C(=O)OCC)C(C(=O)C1CCCCC1)N(NC(=O)OCC)C(=O)OCC,CI,0 | |
| COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NC3CC3)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O,CI,0 | |
| COc1ccc(C(=O)CC2(O)C(=O)N(CN3CCOCC3)c3ccc(Br)cc32)cc1,CI,0 | |
| CC1(O)CC2=C(CC1O)C(=O)c1c(O)ccc(O)c1C2=O,CI,0 | |
| COc1ccc(-c2nnc3sc4c5ccccc5ccc4n23)cc1,CI,0 | |
| CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)nc3c2)CC1,CI,0 | |
| CC(=NNC(=[Se])N1CC2CCC(CC2)C1)c1ccccn1,CI,0 | |
| O=[N+]([O-])c1cnc(-c2ccc(F)cc2)n1CCO,CI,0 | |
| COc1cc2cc[n+](C)c(Cc3ccc(Oc4cc(Cc5c6cc(OC)c(OC)cc6cc[n+]5C)ccc4OC)cc3)c2cc1OC,CI,0 | |
| CC1=NN(c2cccc(S(=O)(=O)O)c2)C2=[O+][Cr]3(O)Oc4c(cc(Cl)cc4S(=O)(=O)O)N=[N+]3C12,CI,0 | |
| CC(=O)c1cc(-c2ccccn2)c(=O)n2ccccc12,CI,0 | |
| CCOC(=O)c1cc(-c2ccccn2)c(=O)n2ccccc12,CI,0 | |
| CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C2CSSCC(NC1=O)C(=O)N2,CI,0 | |
| CCCCS(=N)(=O)CCC(N)C(=O)O,CI,0 | |
| COc1cc(CCNC(C)=O)cc(OC)c1OC,CI,0 | |
| O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2O)C1O,CI,0 | |
| COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCC4CCCO4)C3=O)N1CC1NC12,CI,0 | |
| C=C(C)CNC1=C(C)C(=O)C2=C(C1=O)C(COC(N)=O)C1(OC)C3NC3CN21,CI,0 | |
| N=c1[nH]c2c(s1)CCC2,CI,0 | |
| CC1(C)CC2=NO[Se]3=C2C(=NO3)C1,CI,0 | |
| CC1=NC(=O)CON1,CI,0 | |
| CCc1nc(N)nc(N)c1-c1ccc(Cl)c(N=NN(C)C)c1,CI,0 | |
| COC1CC(C)C(OC)c2cc(O)cc(c2O)NC(=O)C(C)=CC=CC(C)C(OC(N)=O)C(C)=CC(C)C1OC,CI,0 | |
| Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)SC1=NC(C)N2C(SC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)=NC(C)N12,CI,0 | |
| Cc1cc(C)cc(N(C2=NCCS2)C2=NCCS2)c1,CI,0 | |
| C=C=CC(C)(O)c1ccc(-c2ccccc2)cc1,CI,0 | |
| COc1ccc(C(C#N)=Cc2cc(OC)c(OC)c(OC)c2)cc1,CI,0 | |
| Cc1nc2n(c1C(N)=O)CCS2,CI,0 | |
| CC(C)(C)C1COP(=O)(c2ccccc2)N(c2ccccc2)C1.CC(C)(C)C1COP(=O)(c2ccccc2)N(c2ccccc2)C1,CI,0 | |
| O=C1CC2C(=O)NC(=O)C2C(=O)N1,CI,0 | |
| COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C([N+](C)(C)C)CC2,CI,0 | |
| Cc1ccccc1C1N=C2Oc3ccccc3C=C2C(=O)N1,CI,0 | |
| NCCCC(N)(C(=O)O)C(F)F,CI,0 | |
| Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CI,0 | |
| O=C(O)c1cc(Cl)nnc1O,CI,0 | |
| Cn1nc2[nH]c(=S)sc(=S)c2c1O,CI,0 | |
| COC(=O)C(CSSCC(C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C)N1C(=O)CCC1=O)NC(=O)OCc1ccccc1,CI,0 | |
| O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1ccccc1,CI,0 | |
| COC1C2=CC=CC=CC2n2c(=O)n(-c3ccccc3)c(=O)n21,CI,0 | |
| CCNc1cc2oc(=O)cc(C(F)(F)F)c2cc1C,CI,0 | |
| CCOC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3,CI,0 | |
| Nc1nc(F)nc2c1ncn2CC(O)CO,CI,0 | |
| C=C(c1ccc(OC)c(OC)c1)c1nccc2cc(OC)c(OC)cc12,CI,0 | |
| CCOC(=O)C(C(=O)OCC)=C(N)C(Cl)(Cl)Cl,CI,0 | |
| c1cnc2c3cnc4sccc4c3nn2c1,CI,0 | |
| NCCNCC(O)CO,CI,0 | |
| Cc1cc(C)c(C#N)c(SCC(=O)c2sc3c(C#N)c(C)cc(C)[n+]3c2O)n1,CI,0 | |
| COc1cccc2c1ccc1nonc12,CI,0 | |
| O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccco1,CI,0 | |
| CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,CI,0 | |
| O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCO,CI,0 | |
| CC(C)n1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,CI,0 | |
| COc1nc(N=[N+]=[N-])nc(-c2c(OC)ccc3ccccc23)n1,CI,0 | |
| Cc1ccc([B-]23OCC[N+]2(CNC(=O)C2=C(O)C(N(C)C)C4CC5C(=C(O)C4(O)C2=O)C(=O)c2c(O)cccc2C5(C)O)CCO3)cc1,CI,0 | |
| Cc1ccccc1SSCCN,CI,0 | |
| COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c2ccccc2nc2ccccc12,CI,0 | |
| CN1C=CC(=C[N+](=O)[O-])N(C)C1=O,CI,0 | |
| Cc1c2sc3ccccc3[nH]c2nc2[nH]c3ccccc3sc12,CI,0 | |
| C#CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,CI,0 | |
| CC1=Nc2cc(=N)[nH]n2C(=O)C1,CI,0 | |
| O=S(O)Cc1ccccc1CSSSCc1ccccc1CS(=O)O,CI,0 | |
| CCOC(=O)CNCc1cc(O)nc2cc(Cl)ccc12,CI,0 | |
| CC(C)S(=O)(=O)n1c(=N)[nH]c2ccc(C(=NO)c3ccccc3)cc21,CA,1 | |
| COC(=O)c1ccc2c(c1)C(O)NC(=O)O2,CI,0 | |
| NNC(=O)c1ccc(OCc2nc3ccccc3[nH]2)cc1,CI,0 | |
| CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc3ccccc3c1)CN2,CI,0 | |
| Cn1c(=O)n2n(c1=O)C1CCC2CC1,CI,0 | |
| COC(=O)C12C=CC(C(=O)OC)(CC1)n1c(=O)n(-c3ccccc3)c(=O)n12,CI,0 | |
| CC1C(c2ccccc2)OC(N2CCOCC2)C(C)(C)CN1C,CI,0 | |
| N=C(N)NS(=O)(=O)c1ccc(NCc2c3ccccc3nc3ccccc23)cc1,CI,0 | |
| Cn1ccc2nc(O)nc(S)c21,CI,0 | |
| CC1=Nc2ccccc2NC2(C1)C(C1COC(C)(C)O1)OC1OC(C)(C)OC12,CI,0 | |
| Cc1cc2nncn2c2nnnn12,CI,0 | |
| COc1ccc(-c2nnc3cc(C)n4nnnc4n23)cc1OC,CI,0 | |
| Cc1cc2nnc(-c3cccc([N+](=O)[O-])c3)n2c2nnnn12,CI,0 | |
| CCOC(=O)C(C)P(=O)(OC)OC,CI,0 | |
| CCc1cc2c(O)nc(-c3cccnc3)nc2s1,CI,0 | |
| NC(=O)C1=NOC(C(N)=O)C1C1OC(CO)C(O)C1O,CI,0 | |
| Cc1cn2c(n1)sc1ccccc12,CI,0 | |
| Cc1c(CO)[n+]([O-])c2ccccc2[n+]1[O-],CI,0 | |
| O=C1Cn2c(cc(=O)c3ccccc32)O1,CI,0 | |
| O=C(Cn1c(=O)cc(Nc2ccccc2)c2ccccc21)Nc1ccccc1,CI,0 | |
| CC1=C(C#N)C2(N)OC1(C)C1C(=O)C=CC(=O)C12,CI,0 | |
| CCOc1ccc(C(C)c2cc3c(cc2OC)OCO3)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)C(CCC(=O)c2ccccc2)(CCC(=O)c2ccccc2)[N+](=O)[O-])cc1,CI,0 | |
| Cc1cc(O)c2c3c(ccc2n1)Oc1ccccc1O3,CI,0 | |
| CCOC(=O)c1cc2sc(NC(=O)c3cccs3)nc2o1,CI,0 | |
| CCOC(=O)N1N=C(c2ccccc2)OC2(N3CCCC3)CCC(C(C)(C)C)CC12,CM,1 | |
| CN(C)CCNc1cccc2oc3ccc(O)cc3c(=O)c12,CI,0 | |
| Cc1ccc(S(=O)(=O)Oc2ccc3oc4cccc(NCCN(C)C)c4c(=O)c3c2)cc1,CI,0 | |
| CN1C(=O)C(=NNC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,CI,0 | |
| CN(C)CCNc1ccc(CO)c2oc3ccc(O)cc3c(=O)c12,CI,0 | |
| CCN(CC)CCNc1cccc2oc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3c(=O)c12,CI,0 | |
| COc1cc2c(cc1O)Cc1c-2[n+](C)cc2cc(OC)c(OC)cc12,CI,0 | |
| CCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21,CI,0 | |
| CCOC(CN(C)C(=O)OCC(Cl)(Cl)Cl)OCC,CI,0 | |
| COc1ccc(C=CC(=O)c2ccccc(=O)c2O)cc1,CI,0 | |
| O=C1CN2Cc3c(sc4c3CCCC4)NC2=N1,CI,0 | |
| Cc1nc2ccccc2c2nnc(SCC(=O)N(Cc3ccccc3)c3ccccc3)n12,CI,0 | |
| COCC(O)COn1c(=O)[c-](C#N)[n+](=O)c2ccccc21,CI,0 | |
| CCN(CC)CCN1C(=O)c2cccc3c(N)c(OC)cc(c23)C1=O,CI,0 | |
| NCCCCCC(CCN)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O,CI,0 | |
| CCOCCN(CCOCC)C(=O)c1ccc2c(c1)no[n+]2[O-],CI,0 | |
| Cc1nc2ccnn2c(O)c1CCc1ccccc1,CI,0 | |
| COC1=C(OC)C(=O)C(C(=O)CCCCC(=O)O)=C(C)C1=O,CI,0 | |
| Cc1nc2c(cnn2C)cc1CCc1ccccc1,CI,0 | |
| O=C1CSc2ccccc2-n2cccc21,CI,0 | |
| O=c1c2ccccc2c2nccn2c2ccccc12,CM,1 | |
| CN1CCC(c2ccccc2)C(O)C1,CI,0 | |
| c1ccc(C[N+]23CCC(CC2)C3c2ccccc2)cc1,CI,0 | |
| Clc1nc(Cl)nc(Nc2ncccn2)n1,CI,0 | |
| C[n+]1c(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21,CM,1 | |
| CC1(C)COC(c2cccc3c2C2C=CC3O2)=N1,CI,0 | |
| O=C1CC2C3C1N(c1ccc(Cl)cc1)C1(Nc4ccc(Cl)cc4)C(=O)CC(C31)N2c1ccc(Cl)cc1,CI,0 | |
| CSc1c(N(C)C)c(=O)c1=S,CI,0 | |
| Cc1cc(C)c2c(c1N)C(=O)CCO2,CI,0 | |
| COc1ccccc1N=NC1=C2Nc3ccccc3N=C1N(c1ccccn1)C(=S)N2c1ccccc1C,CI,0 | |
| Cc1nnc2c3nccnc3c(=N)[nH]n12,CI,0 | |
| COC(=O)C1(F)C(=O)NC(=O)NC1OC,CI,0 | |
| C[N+]1=[O+][Co-4]2345[O+]=[N+](C)[N-]N2c2ccccc2[S+]3CC[S+]4c2ccccc2N5[N-]1,CI,0 | |
| C[N+]1=[O+][Cu-5]2345[O+]=[N+](C)[N-]N2c2ccccc2[S+]3CC[S+]4c2ccccc2N5[N-]1,CI,0 | |
| COC(=O)C(=Cc1c[nH]c2ccccc12)NC=O,CI,0 | |
| COc1ccc(Cc2nnc3nc(OC)c(-c4ccc(OC)cc4)n3n2)cc1,CI,0 | |
| COc1ccc(-n2c(CSc3ccc(Cl)cc3)n[nH]c2=S)cc1,CI,0 | |
| CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4,CI,0 | |
| O=C1C[O+]2CC[O+]1[Co-4]21(O)(Cl)[O+]2CC[O+]1C(=O)C2,CI,0 | |
| CCOC(=O)C=C1CONC(c2ccc(OC)cc2)=N1,CI,0 | |
| O=c1c(=O)c2cc(O)ccc12,CI,0 | |
| CC(=O)Nc1cc2cc(NC(=O)C(Cl)(Cl)Cl)ccc2oc1=O,CI,0 | |
| C=C1CC2(C)c3ccccc3NC(=O)C12,CM,1 | |
| COc1ccc(C=NNc2nnc3c4ccccc4n(C)c3n2)cc1,CI,0 | |
| COC1c2ccccc2CC(c2ccccc2)=NN1C(C)=O,CI,0 | |
| Cc1c(C)n2c(=O)n(-c3ccccc3)c(=O)n2c1=O,CI,0 | |
| Cc1nn2c(nnn2CCO)c1-c1ccccc1,CI,0 | |
| COc1cc(C2c3cc4c(cc3OC3(N5CCCC5)CCCC23)OCO4)cc(OC)c1OC,CI,0 | |
| Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1,CI,0 | |
| S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3cc(Cl)ccc3Cl)C(=Nc3ccccc3N2)N1c1ccccn1,CI,0 | |
| S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2N=Nc2ccccc2)N1c1ccc(Cl)cc1,CI,0 | |
| S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2N=Nc2ccccc2Cl)N1c1ccc(Cl)cc1,CI,0 | |
| S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2N=Nc2ccc(Br)cc2)N1c1ccc(Cl)cc1,CI,0 | |
| N#Cc1n[nH]c2[nH]c(=S)sc(=N)c12,CI,0 | |
| CC1(CO)COC(=O)C(C)(C2(C)NC(C)(CO)COC2=O)N1,CI,0 | |
| CNc1ncn(-c2c(C)cccc2C)c(=O)n1,CI,0 | |
| OCCC(N1CCOCC1)C(O)(c1ccccc1)c1ccccc1,CI,0 | |
| CN1C(=O)C(=C2SC(=O)N(CN3CCCCC3)C2=O)c2cc(Br)ccc21,CI,0 | |
| CN1C(=O)C(=C2SC(=O)N(CN3CCCCC3)C2=O)c2ccccc21,CI,0 | |
| Cc1cc2c(=O)cc(-c3ccccc3Cl)oc2c(C#N)c1C,CI,0 | |
| OC1c2ccccc2C(O)c2c1ccc1c2CN(Cc2ccccc2)CC1,CI,0 | |
| CN1c2c(C(=O)Nc3nccs3)nn(-c3ccccc3)c2-c2ccccc2S1(=O)=O,CI,0 | |
| CN1c2ccccc2C2=C(C3=C(CS2)C(=O)CCS3)S1(=O)=O,CI,0 | |
| O=S1(=O)c2ccccc2N(c2ccccc2)C2=NCCN21,CI,0 | |
| CC(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)O,CI,0 | |
| CCOC(=O)C=C1CCC(C)n2c1nccc2=O,CI,0 | |
| Cn1nc2c(c(Cl)c1=O)Nc1ccccc1O2,CI,0 | |
| NC(=O)C(N)C(F)c1ccccc1,CI,0 | |
| N=C1NC(c2ccccc2[N+](=O)[O-])P(=O)(Nc2ncccn2)S1,CI,0 | |
| CN(C)CCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1,CI,0 | |
| CCOC(=O)C12C3C(=O)N(CC)C(=O)C3ON1OC1C(=O)N(CC)C(=O)C12,CI,0 | |
| CNC(=O)SC1=Nc2cc(Cl)ccc2S(=O)(O)=N1,CM,1 | |
| CCOC(=O)C=C1CCCn2c1ncc(C(=O)OCC)c2=O,CI,0 | |
| COc1ccc2nc(-c3ccccc3)cc(N=[N+]=[N-])c2c1,CI,0 | |
| Nc1nc(O)c2c(ncn2COC(CO)CO)n1,CI,0 | |
| O=C1NN2CCN=C2c2cccnc21,CI,0 | |
| CCCNCC(O)COc1ccc2c3c(c(=O)oc2c1)CCC3,CI,0 | |
| COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C(N)Cc1ccccc1)C24,CI,0 | |
| Cc1cc(O)c2c(ccc3c(O)cc(C)nc32)n1,CI,0 | |
| CN=S(=O)(c1ccccc1)C1(C)CC(C)=C(C)CS1=O,CI,0 | |
| COc1ccc2nccc3cc(Cl)[nH]c1c32,CI,0 | |
| COc1ccc(N=Cc2c(O)ccc3c2oc2cc(Cl)c(O)c(Cl)c23)cc1,CI,0 | |
| C[n+]1c(COc2ccc(C=NNC(=O)c3cccc(C(=O)NN=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)c3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,CI,0 | |
| CN1C(=O)C(=C2SC(=O)N(Cc3nc4ccccc4[nH]3)C2=O)c2cc(Br)ccc21,CI,0 | |
| O=C1C(N=Nc2ccccc2)Sc2nc3ccccc3n21,CI,0 | |
| Cc1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1,CI,0 | |
| Cc1cccc(N=NC2Sc3nc4ccccc4n3C2=O)c1,CI,0 | |
| O=C1C(N=Nc2ccc(Cl)cc2)Sc2nc3ccccc3n21,CI,0 | |
| O=C1C(N=Nc2ccc(Br)cc2)Sc2nc3ccccc3n21,CI,0 | |
| O=C1C(N=Nc2ccc([N+](=O)[O-])cc2)Sc2nc3ccccc3n21,CI,0 | |
| O=C(O)c1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1,CI,0 | |
| CCOC(=O)c1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1,CI,0 | |
| NS(=O)(=O)c1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1,CI,0 | |
| CCOC(=O)CC1(C)c2nc(NC(C)=O)sc2Cc2sc(NC(C)=O)nc21,CI,0 | |
| CC(C)C1N(N2C(=O)CS(=O)(=O)C2C(C)C)C(=O)CS1(=O)=O,CI,0 | |
| CCOC(=O)c1c2nc3ccccc3sc-2c(C(=O)OCC)c1C(=O)OCC,CI,0 | |
| O=C(O)c1nc(Cl)c(Cl)nc1O,CI,0 | |
| CN1C2C=CC(=O)C1C1C(=O)N(c3ccccc3)C(=O)C12,CI,0 | |
| CC(=O)N1CCC23c4ccccc4N(C)C2CC(=O)CC13,CI,0 | |
| Cc1cc2c(cc1C)NC(=O)C(NC(=O)c1ccc(Cl)cc1)C=N2,CI,0 | |
| Cc1cc2c(c(C#N)c1C)NC(=O)CN=C2c1ccccc1F,CM,1 | |
| O=C1CCC(c2ccccc2)CCN1,CI,0 | |
| c1ccc(C2CCCNCC2)cc1,CI,0 | |
| CCOC(=O)C1(c2ccccc2)CCNC(=O)CC1,CI,0 | |
| O=C(O)c1cc(O)c2cccc(O)c2n1,CI,0 | |
| CN(C)c1ccc([N+]([O-])=Cc2cc(=O)c(OS(C)(=O)=O)co2)cc1,CI,0 | |
| CC(=NO)C1CC(C)([N+](=O)[O-])CCC1(C)O,CI,0 | |
| CC1=CC(C)(C)SC(SSSC2=NC(C)=CC(C)(C)S2)=N1,CI,0 | |
| Oc1ccc(O)c2c1N=NC21c2ccccc2Oc2ccccc21,CI,0 | |
| C=C(C)C1CCC(C)CC1OC(C)=O,CI,0 | |
| O=Nc1ccccc1N=O,CI,0 | |
| C=CC1CN2CCC1CC2=NO,CI,0 | |
| CC1C2CCC3(CCC4C5(C)CCCC4(CN(CCO)C5)C3C2)C1O,CI,0 | |
| O=C1OC(C=Cc2ccccc2)Sc2ccccc21,CI,0 | |
| COc1cc(C=Cc2ccnc3ccccc23)ccc1N(C)C,CI,0 | |
| CCCCNc1cc2oc(=O)cc(C)c2cc1N,CI,0 | |
| CCN(CC)c1cc2oc(=O)cc(C)c2cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CI,0 | |
| CCN(CC)c1cc2oc(=O)cc(C)c2cc1NC(=O)c1ccccc1,CI,0 | |
| CC1(c2ccccc2)CCCCC1=NNC(N)=O,CM,1 | |
| COC1(c2ccc(C)cc2C)OC(=O)c2c(C)cccc21,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(O)c3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(O)c3)c2c1O,CI,0 | |
| O=NN(CCCl)C(=O)NCCCl,CI,0 | |
| O=S1(=O)OCCCO1,CI,0 | |
| O=S1(=O)OCCCCO1,CI,0 | |
| S=C(SSC(=S)N1CCCCC1)N1CCCCC1,CI,0 | |
| CC1=C(C)CS(=O)N(c2ccccc2)C1,CI,0 | |
| Cc1cc2ccc([N+](=O)[O-])cn2c1,CI,0 | |
| O=NNc1ccccn1.OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC1C(O)C2O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O.[NaH],CI,0 | |
| COC(=O)Nc1nc(O)c2cc(OC)c(OC)cc2n1,CI,0 | |
| COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1,CI,0 | |
| O=C(N=C1C(=O)C2(CCCCC2)C2(N=C(c3ccccc3)OC2=O)C12CCCCC2)c1ccccc1,CI,0 | |
| CNc1ccnc(O)c1NC(C)=O,CI,0 | |
| ClCc1ccc2ccc3ccc(CCl)nc3c2n1,CI,0 | |
| COC(=O)C(=CNC(N)=O)C(=O)OC,CI,0 | |
| S=c1nnn(C2CCCN2)[nH]1,CI,0 | |
| O=C1OC(OCC(Br)=C(Br)COC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl,CI,0 | |
| CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,CI,0 | |
| CSc1nc(NC2OC(CO)C(O)C(O)C2O)cc(=O)n1C,CI,0 | |
| COc1c2c3c(ccnc3c3ccccc13)C(=O)N2C,CI,0 | |
| CCC1(OC(=O)CNC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl,CI,0 | |
| O=C1NC2CS(=O)(=O)CC2N1,CI,0 | |
| COc1cc2oc3c(OC)ccc4ccnc(c(=O)c2cc1OC)c43,CM,1 | |
| COc1ccc(-c2cc(-c3cc(C)cc(Br)c3O)no2)cc1,CI,0 | |
| Cc1ccc2oc(-c3n[nH]c(=N)s3)cc(=O)c2c1,CI,0 | |
| Cc1oc(C)c2c1C(=O)N(C)C2=O,CI,0 | |
| CC(C)CC1=C(C(=O)c2ccoc2)CC(C)C1,CI,0 | |
| CC(N)=Cc1nc(=O)ccs1,CI,0 | |
| COC1OC(C(C)O)C2OC(C)(C)OC12,CI,0 | |
| O=C(Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1)c1ccccc1,CI,0 | |
| CC1Cn2c(nnc2-c2ccccc2O)S1,CI,0 | |
| C1=[N+]2[N-]c3cccc[n+]3[Fe-4]234([N+](=Cc2cccc[n+]23)[N-]c2cccc[n+]24)[n+]2ccccc21.[Cl-],CI,0 | |
| COc1c(CCl)cc(-c2cc(=O)c3ccccc3s2)cc1CCl,CI,0 | |
| CC1c2ccccc2NC(=O)N1N1CCOCC1,CI,0 | |
| O=C1c2ccccc2NC2(C(=O)Nc3ccccc32)N1N1CCOCC1,CI,0 | |
| COC(=O)n1nnc2ncccc21,CI,0 | |
| O=c1oc2ccccc2c(O)c1C1=NC(=NN=Cc2ccc(Cl)cc2)SC1,CI,0 | |
| CCCNCCOc1nc(Cl)c(Cl)cc1Cl,CI,0 | |
| COc1ccc(C2Oc3cc(OC)ccc3C(=O)C2c2ccccc2)cc1,CI,0 | |
| CN(C)c1ccc(C2N(C)CCN2C)cc1,CI,0 | |
| CSc1nc(=O)n(CCC#N)nc1SC,CI,0 | |
| C=CCC1(C(C)Cc2ccc(OC)c(OC)c2)CC(OC)C=CC1=O,CM,1 | |
| CCOC=C(C)CC1([N+](=O)[O-])C(=O)c2ccccc2C1=O,CI,0 | |
| CC1(CCC(=O)c2ccc3c(c2)OCO3)OCCO1,CI,0 | |
| COC(=O)c1nn(-c2ccc(Cl)cc2)c2nc3ccccc3c-2c1C(=O)OC,CI,0 | |
| COc1cc(C(O)CCBr)c(OC)cc1C,CI,0 | |
| O=C1CCC(C2(O)c3ccccc3-c3ccccc32)C(=O)N1,CI,0 | |
| Nc1nccc(CCc2ccccc2)n1,CI,0 | |
| O=C(CC(O)c1cccnc1)CC(O)c1cccnc1,CI,0 | |
| CCCCCCCCCCCCCC(=O)OC1CCC(NC(=O)C(OC)C(O)C(O)C(O)C=CC(C)C)C(=O)NC1,CI,0 | |
| COC(=O)C12CN(C)CC(C(=O)OC)(C1=O)C(c1ccccn1)N(C)C2c1ccccn1,CI,0 | |
| Cl.OCC1NC(CO)C(O)C1O,CI,0 | |
| Cc1ncc(CO)c2c1[OH+][Mn+]134([OH+]c5c(C)ncc(CO)c5C=[N+]1[N-]C(N)=[S+]3)[S+]=C(N)[N-][N+]4=C2,CI,0 | |
| COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C,CI,0 | |
| CN(C)CCN1C(=O)c2c(c3cccn3c3c2cnn3-c2ccccc2)C1=O,CI,0 | |
| O=C(CCl)N1CCN(c2ccccn2)CC1,CI,0 | |
| CC(C)(Br)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CI,0 | |
| Cc1c(N)c(=O)oc2cc3occc(=O)c3cc12,CI,0 | |
| COc1cc(OC)c2c(c1)OC(=O)C(C(C)=O)C2,CI,0 | |
| CC(=O)OCC1OC(OC(C)=O)C(NC(=O)CI)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| Nc1ncc2c(ncn2CCO)n1,CI,0 | |
| Nc1ncnc2c1ncn2C1OC(COP(=O)(O)CP(=O)(O)O)C(O)C1O,CI,0 | |
| CSC1=[S+][Ni-4]234([S+]=C(SC)[N-][N+]2=Cc2c5ccccc5cc[n+]23)[N+](=Cc2cc3ccccc3c[n+]24)[N-]1.[Cl-],CI,0 | |
| O=C(Nc1ccn(C2CCC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1,CI,0 | |
| CCCCCCCCCCCCCCCc1nc(C)c[nH]1,CI,0 | |
| Nc1ncnc2c1ncn2C1CCC(COP(=O)(O)O)O1.[LiH],CM,1 | |
| CCCCOC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O,CI,0 | |
| OC(CBr)C(O)C(O)C(O)CBr,CI,0 | |
| CC1=C[P+](Cc2ccccc2)(c2ccccc2)CC1.[I-],CI,0 | |
| CC(C)(C)C1CCC(O)(c2ccccc2)CC1.CC(C)(C)C1CCC(O)(c2ccccc2)CC1,CI,0 | |
| CC1=CCP(=O)(c2ccccc2)C1.CC1=CP(=O)(c2ccccc2)CC1,CI,0 | |
| O=c1n(-c2ccccc2)c(=O)n2n1C1CC3c4ccccc4C1C2C31CC1,CI,0 | |
| O=C1CN2C=CC=CC2=NN1,CI,0 | |
| Cl.O=C1CN2Cc3cc(N4CCOCC4)ccc3NC2=N1,CI,0 | |
| C=CCCCN1C(=O)CCCC1=O,CI,0 | |
| C[Si](C)(C)C(Br)=CCCN1C(=O)CCC1=O,CI,0 | |
| CC1(C)OCCC1[Si](C)(C)C,CI,0 | |
| COC(=O)C(C=O)=CSc1ccccc1,CI,0 | |
| CCCCCC1CCCC2N=C(CCCCC3OCCO3)CCC12,CI,0 | |
| O=C1CCCC(=O)N1CCc1c[nH]c2ccccc12,CI,0 | |
| CC(=O)CNC(=O)OC(C)(C)C,CI,0 | |
| COC=Cc1cc2c(cc1C(OC)OC)OCO2,CI,0 | |
| CC(=O)Nc1n[n+]([O-])c2cc(C)ccc2[n+]1[O-],CI,0 | |
| CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.[NaH],CI,0 | |
| COC(c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F,CI,0 | |
| CN(C)CCSc1cccc(-c2cc(-c3cccc(SCCN(C)C)c3)ncn2)c1,CM,1 | |
| C[N+](C)(C)CCOP(=O)(O)OP(O)(=[OH+])OCC1CCC(n2ccc(=N)[nH]c2=O)O1.[LiH],CA,1 | |
| N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO,CI,0 | |
| Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3Nc3cccc(Cl)c3)cc2)n1,CI,0 | |
| Cl.Cn1c2ccccc2c(=O)c2c([N+](=O)[O-])ccc(NCCN)c21,CI,0 | |
| CC(=O)OC1CC2CCCC2C2C(=O)OC(=O)C12,CM,1 | |
| CC(C)(C)C1CCC(=O)C(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1,CI,0 | |
| O=C(CCCl)Nc1c(Cl)cccc1Cl,CI,0 | |
| Cc1cc(NC(=O)Nc2ccc(N=Nc3cc(S(=O)(O)=[OH+])c4cccc(S(=O)(O)=[OH+])c4c3)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(O)=[OH+])c2c1.[GaH3],CI,0 | |
| O=C1CP([O-])([O-])=[O+][Ga-3]23([O+]=P([O-])([O-])CC(=O)[OH+]2)([O+]=P([O-])([O-])CC(=O)[OH+]3)[OH+]1,CI,0 | |
| CC1=C(O)C(=O)c2cn(C)cc2C1=O,CI,0 | |
| CC1(C(=O)O)CCCC2(C)C1CCC1(C)c3cocc3CCC12,CI,0 | |
| Cc1ccc(NC(=O)C(=O)C2C(=N)NN(c3ccccc3)C2=O)cc1C,CI,0 | |
| Cc1cc(Cl)ccc1NC(=O)CCCC(=O)C(C(=O)c1ccccc1)c1ccccc1,CI,0 | |
| CCCN(CCC)C(=O)C(=O)c1c(N)[nH]n(-c2ccccc2)c1=O,CI,0 | |
| N=C1NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1ccccc1,CI,0 | |
| CC(=O)CC(=O)CCCC(=O)Nc1ccc(Cl)cc1C,CI,0 | |
| CN(C)C(=S)NC(=S)Nc1ccc2ccccc2c1,CI,0 | |
| CN(C)c1nc(=Nc2ccc3ccccc3c2)ss1.Cl,CI,0 | |
| COC(=O)c1sc(=NC(=S)N2CCCCC2)sc1C(=O)OC,CI,0 | |
| CN=c1ssc(=NC(SC)=[N+](C)C)n1C.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| CN(C)c1nc(N(C)CCc2ccccn2)[s+]s1.I.[I-],CI,0 | |
| O=C1c2ccccc2C(=O)C12CCc1ccccc12,CI,0 | |
| Cc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1C,CI,0 | |
| O=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2o1,CI,0 | |
| O=C(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1Cl,CI,0 | |
| O=C(Cc1nc2ccccc2o1)C(=O)Nc1cccc(Cl)c1,CI,0 | |
| Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)Cc1nc2ccccc2s1,CI,0 | |
| CC(C)c1ccccc1NC(=O)C(=O)Cc1nc2ccccc2s1,CI,0 | |
| Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=NNC(=O)NN)C2=O)c1,CI,0 | |
| NNC(=O)NN=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2s1,CI,0 | |
| CCOC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C,CI,0 | |
| CCOC(=O)C1=C(Nc2ccc(Br)cc2)OCC1=O,CI,0 | |
| Cc1nc(=O)n2c(c1C(=O)Nc1ccc(Cl)cc1)NCC2,CI,0 | |
| CN(C)CCn1cnc2ncccc2c1=O,CI,0 | |
| Cn1c(=N)[nH]c2c3ccc(O)nc3ccc21,CI,0 | |
| [N-]=[N+]=NC1=CCCCCC(=O)C1,CI,0 | |
| CC1OC=CC(=O)C1O,CI,0 | |
| COC1CC2(C[Si](C)(C)C)OC(=O)OC2C(C)O1,CI,0 | |
| CC1(C)OCC(C2OC3OC(C)(C)OC3C2=O)O1,CI,0 | |
| COC1OC2=CCC3C(=O)N(c4ccccc4)C(=O)C3C2C(OCc2ccccc2)C1OCc1ccccc1,CI,0 | |
| COC1OC2=CCC3C(=O)NC(=O)C3C2C(OCc2ccccc2)C1OCc1ccccc1,CI,0 | |
| O=[N+]([O-])c1ccc2c(c1)OCCOCCOc1ccc([N+](=O)[O-])cc1OCCOCCO2,CI,0 | |
| CC(=O)OC1CCC2OOC1O2,CI,0 | |
| N#CC1(N2CCCC2)CCC2(CC1)OCCO2,CI,0 | |
| C=CCCCC(C#N)(c1ccccc1)N(C)C,CI,0 | |
| C=CCCCC(C#N)(c1ccccc1)N1CCCC1,CI,0 | |
| CC1=C(C(=O)CC(=O)C(=O)Nc2ccccc2C(F)(F)F)Sc2ccccc2N1,CI,0 | |
| Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=Nc3cccc4c(O)nnc(O)c34)C2=O)c1,CI,0 | |
| CCOc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=NN)C1=O,CI,0 | |
| O=C(Cc1nc2ccccc2o1)C(=O)Nc1cccc(C(F)(F)F)c1,CI,0 | |
| O=C(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1,CI,0 | |
| Cc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=NN)C1=O,CI,0 | |
| COc1ccc2nc(NC(=O)C(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1,CI,0 | |
| CCc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=NNC(=S)NN)C1=O,CI,0 | |
| Cc1cc(Cl)ccc1Nc1nc2c(s1)C(=O)c1ccccc1C2=O,CI,0 | |
| NNC(=O)NN=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2o1,CI,0 | |
| Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4o3)C(=NNC(=O)c3ccccc3O)C2=O)c1,CI,0 | |
| COc1ccc(C=c2sc3n(c2=O)NC(c2ccc(Cl)cc2)NN=3)cc1,CI,0 | |
| NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1)c1nc2c([nH]1)C(=O)c1ccccc1C2=O,CI,0 | |
| COC(=O)C1Cc2c([nH]c3ccccc23)C=N1.Cl,CI,0 | |
| O=S(=O)(C=CCS(=O)(=O)c1ccccc1)c1ccccc1,CI,0 | |
| COC1(OC)CCC2(C)OC(c3ccccc3)C1O2,CI,0 | |
| O=S(=O)(C1=CC(S(=O)(=O)c2ccccc2)CN(Cc2ccccc2)C1c1ccccc1)c1ccccc1,CI,0 | |
| O=S(=O)(c1ccccc1)C1CN2OC1(S(=O)(=O)c1ccccc1)CC2c1ccc(Br)cc1,CI,0 | |
| CC#CCC(OC(C)=O)c1ccccc1,CI,0 | |
| COC(=O)C1CSC(=S)N1C(=O)CC1CC=CCC1CC(=O)Sc1ccccc1,CI,0 | |
| c1ccc2c(c1)nc1n2CSC1,CI,0 | |
| Clc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0 | |
| O=S1Cc2ccccc2CS1,CI,0 | |
| Cc1ccc(S(=O)OCc2c(C)c(C)c(COS(=O)c3ccc(C)cc3)c(C)c2C)cc1,CI,0 | |
| O=S(O)c1cc(Cl)cc(Cl)c1OCc1ccccc1.[NaH],CI,0 | |
| Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1,CI,0 | |
| OCC(O)C(O)C(O)c1nnn[nH]1,CI,0 | |
| C=CCC(C)C(=O)CP1(=O)OC(C)CCN1C(C)(C)C,CI,0 | |
| COc1cc2c(cc1OC)-c1c3cc(O)ccc3nn[n+]1CC2.[Cl-],CI,0 | |
| CC12CCC(=NNC(N)=O)C3C1CCCC32,CI,0 | |
| CC12CCC(=O)CC1CCC(O)C2Br,CI,0 | |
| CC1=CC(=O)CC2(C)CCC3CC12OC3(C)C,CI,0 | |
| CCC(=O)C12OC3OC(C)(C)OC3C1OC(C)(C)O2,CI,0 | |
| COc1ccc(C(c2ccc3cccnc3c2O)c2ccc3cccnc3c2O)cc1,CI,0 | |
| Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3ccccc3[nH]2)cc1,CI,0 | |
| CC(=O)Nc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1,CI,0 | |
| COc1cc(C=C(NC(=O)c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(OC)c1OC,CI,0 | |
| O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccccc1,CI,0 | |
| COc1ccccc1C=C(NC(=O)c1ccccc1)c1nc2ccccc2[nH]1,CI,0 | |
| COc1ccc(C(=O)C(C(=O)C(=O)Nc2nccs2)c2ccc(OC)cc2)cc1,CI,0 | |
| CCCCCCc1cc(C(=O)Nc2ccc(Cl)cc2)nc(S)n1,CI,0 | |
| Cc1cccc(C)c1NC(=O)CCCC(=O)C(C#N)c1ccccc1,CI,0 | |
| CC1=C(c2cc(C(=O)Nc3nccs3)nc(NC#N)n2)Sc2ccccc2N1,CI,0 | |
| COC(=O)c1c(C)cc2c(c1O)C1(O)C(=O)c3cc4c(c(O)c3C(=O)C1(OC)C(O)C2)C(=O)C=C(NC1OC(C)C(OC)C(O)C1OC)C4=O,CI,0 | |
| COC(OC)C(C)C(O)C(C)(O)C1OC(C)(C)OC(C(C)C=C(C)C)C1C,CI,0 | |
| COc1ccc(CCNCc2cccc(OC)c2OC)cc1OC,CI,0 | |
| O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Cl)cn2)c(C(F)(F)F)c1,CI,0 | |
| Cc1ccc(NC(=O)NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1,CI,0 | |
| CC1=CCCC2(C)OC2CC2(C)CC(=O)C(=C(C)C)C2CC1,CI,0 | |
| CCOC(=O)C1C2CCCCC23C(Cl)(Cl)C32CC1(C(=O)OCC)CCC(=O)O2,CI,0 | |
| CCN1CC2(C)CCC(OC)C34C2C(OC(C)=O)C2(OCOC25CC(OC)C2CC3(O)C5C2O)C14,CI,0 | |
| CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC(C)=O)(C5C6OC(C)=O)C(C(OC)C23)C14,CI,0 | |
| CCN1CC2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14,CI,0 | |
| CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14,CI,0 | |
| COc1ccc2c3c(c(C(=O)c4ccccc4)oc13)CCC2,CI,0 | |
| O=C1CCC2COc3ccc(O)c1c32,CI,0 | |
| COc1ccc2c3c(coc13)C(CCC(=O)O)CC2,CI,0 | |
| CC(C)(C)c1cc(O)c2c(c1O)C(=O)CCC2,CI,0 | |
| COc1ccc2oc(C(=O)O)c3c2c1CCC3,CI,0 | |
| O=C1CCC2CCc3cccc4oc1c2c34,CI,0 | |
| CCc1oc2ccc(OC)c3ccccc1c23,CI,0 | |
| COc1ccc(O)c2c(=O)ccccc12,CI,0 | |
| CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC,CI,0 | |
| COc1ccc2oc3c4c2c1CCC4CCC3=O,CI,0 | |
| COc1ccc2c3c(c(C(=O)O)oc13)CCC2,CI,0 | |
| CCOC(=O)c1oc2ccc(OC)c3c2c1CCC3,CI,0 | |
| O=C(O)c1oc2cccc3c2c1CCC3,CI,0 | |
| CCOC(=O)c1oc2c(OC)ccc3c2c1CCC3,CI,0 | |
| CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)O,CI,0 | |
| Brc1cnc2nsnc2c1,CI,0 | |
| O=C1C2=C(C(c3ccccc3)=C1c1ccccc1)c1ccccc1C1(c3ccccc3)C2=C(O)C(c2ccccc2)=C1c1ccccc1,CI,0 | |
| O=C1C(Br)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1,CI,0 | |
| COC(=O)c1c(NC(=O)C(C)C)n[nH]c1NC(=O)C(C)C,CI,0 | |
| c1ccc(SC(Sc2ccccc2)=C2CCC2)cc1,CI,0 | |
| Cc1ccc(SC(CCC(Sc2ccc(C)cc2)Sc2ccc(C)cc2)Sc2ccc(C)cc2)cc1,CI,0 | |
| CC1(C)CCC(Sc2ccccc2)O1,CI,0 | |
| C[Si](C)(C)C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1,CI,0 | |
| COC(=O)C1=CC2C=CC(C1C(=O)OC)C1C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C21OC,CI,0 | |
| COC(=O)C1=C(C(=O)OC)C2C=CC1C1C(Cl)=C(Cl)C21,CI,0 | |
| O=C1c2ccccc2C2(Br)C(=O)c3ccccc3C12,CI,0 | |
| N#Cc1c(N)oc2cc3c(C#N)c(N)oc3cc12,CI,0 | |
| CCOC(=O)c1[nH]c(COC(C)=O)c(CCCOC(C)=O)c1CCCOC(C)=O,CI,0 | |
| COC(=O)C(=NNc1ccccc1[N+](=O)[O-])C(=O)OC,CI,0 | |
| N#Cc1cnsc1,CI,0 | |
| CC(C)=CCCC(C)=CCCC1(C)C=Cc2c(c3ccccc3oc2=O)O1,CI,0 | |
| CCOC(=O)CNC(SC)=C(C#N)C#N,CI,0 | |
| C=CCN1C(=O)C(=O)N(CC=C)C(=O)C1=O,CI,0 | |
| N#CC(C#N)=C1NC(=O)CC(=O)N1,CI,0 | |
| CSc1nnc([C-](C#N)C#N)nn1.[Na+],CI,0 | |
| Cc1ccc2c(c1)CNc1ccc(C)cc1CN2,CI,0 | |
| Cc1nc2ccccc2c(=O)n1CC(=O)O,CI,0 | |
| CNc1ncnc2c1ncn2C1OC(CO)CC1F,CM,1 | |
| CC=CCC(C)C(O)C(NC)C(=O)O,CI,0 | |
| CCCCCCCCCCCCCCCCOC(=O)c1cc(O)cc(C(=O)OCCCCCCCCCCCCCCCC)c1,CI,0 | |
| CCCCCCCCCCCCCCCCOP(=O)(O)Oc1ccc(C=Cc2ccc(OP(=O)(O)OCCCCCCCCCCCCCCCC)cc2)cc1.[NaH],CI,0 | |
| OC1C2C=CCC1CCC2,CI,0 | |
| Brc1ccccc1C1SCc2nc3ccccc3n21,CI,0 | |
| Fc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0 | |
| Brc1cccc(C2SCc3nc4ccccc4n32)c1,CI,0 | |
| Brc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0 | |
| Cc1cccc(C2SCc3nc4ccccc4n32)c1,CI,0 | |
| Clc1ccccc1C1SCc2nc3ccccc3n21,CI,0 | |
| Clc1cccc(C2SCc3nc4ccccc4n32)c1,CI,0 | |
| COc1cccc(C2SCc3nc4ccccc4n32)c1,CI,0 | |
| Clc1ccc(C2SCc3nc4ccccc4n32)c(Cl)c1,CI,0 | |
| Clc1cccc(C2SCc3nc4ccccc4n32)c1Cl,CI,0 | |
| Clc1cccc(Cl)c1C1SCc2nc3ccccc3n21,CA,1 | |
| Fc1cccc(Cl)c1C1SCc2nc3ccccc3n21,CA,1 | |
| Fc1cccc(C2SCc3nc4ccccc4n32)c1F,CI,0 | |
| Fc1ccc(C2SCc3nc4ccccc4n32)c(F)c1,CI,0 | |
| Fc1ccc(F)c(C2SCc3nc4ccccc4n32)c1,CI,0 | |
| CCOC(=O)NC(=O)c1cn(CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O,CI,0 | |
| CC(=CC1C=C(C)C2CCC(C)C2C12OC(=O)C(C)=C2O)CCCc1ccoc1,CI,0 | |
| COc1ccc(CC(=NO)C(=O)NCCc2cc(Br)c(OCCCN(C)C)c(Br)c2)cc1Br,CI,0 | |
| CCOCc1cc(=O)c2cc3c(cc2o1)OC(C)(C)CC3,CI,0 | |
| COc1cc(C)c2c(c1)C=C1C(=O)C(O)=C(C(C)C)C(=O)C1=CC2,CI,0 | |
| CC(=O)OC1CC2C(C)(C)CCCC2(C=O)C2=C1C(=O)C(C(C)C)=C(O)C2=O,CI,0 | |
| CC(C)(C)c1cc(CCCCCCCC2(CCCCCCCc3cc(C(C)(C)C)cc(C(C)(C)C)c3)OC(COCCOCCCCCC#N)C(COCCOCCCCCC#N)O2)cc(C(C)(C)C)c1,CI,0 | |
| COC(=O)c1ccccc1N(C(=O)c1ccccc1)c1ccccc1C,CI,0 | |
| COC(=O)C(=O)C1(CCC(C)=O)c2ccccc2-c2ccccc21,CI,0 | |
| NC(=O)C1C(=O)Oc2cccnc21,CI,0 | |
| NC(=O)c1ncn(CCN2CCN(C(=O)NCCCCCCNC(=O)N3CCN(CCn4cnc(C(N)=O)c4N)CC3)CC2)c1N,CI,0 | |
| CN(C)C(CN)CC1=C(CC(CN)N(C)C)CCC1,CI,0 | |
| OC(c1ccccc1)C1CC2C=CC1C2,CI,0 | |
| C=CCP1(=O)OC(c2ccccc2)C(C)N1C(C)C,CI,0 | |
| COC(=O)c1nn(C(=N)c2ccc(Cl)cc2)c2c1CCC2,CI,0 | |
| COC(=O)c1nn(C(=N)c2ccc(Cl)cc2)c2c1CCCCC2,CI,0 | |
| O=C(CC1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(CC(=O)c3ccccc3)=N4)n2C1=O)c1ccccc1,CI,0 | |
| O=S(=O)([O-])[OH+][Fe-2]12Oc3c(Cl)cc(Cl)cc3C=[N+]1[N-]C(c1ccncc1)=[O+]2,CI,0 | |
| BrN1C2c3ccccc3C1c1ccccc12,CI,0 | |
| Cc1cc(C)c(S(=O)(=O)O)c(C)c1.c1ccc2c(c1)C1NC2c2ccccc21,CI,0 | |
| Cc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1,CI,0 | |
| Cc1cc2c(=O)c3ccc(Cl)cc3[nH]c2c(C(=O)O)c1C,CI,0 | |
| CCN(CC)CCSc1c2ccccc2nc2c(OC)ccc(OC)c12,CI,0 | |
| COc1ccc(C(=O)O)c2c(=O)c3cccnc3[nH]c12,CI,0 | |
| Cc1ccc(C2OC(COCc3ccc(Cl)cc3)C(OCc3ccc(Cl)cc3)C2O)cc1,CI,0 | |
| c1ccc(COCC2OC3c4ccccc4COC3C2OCc2ccccc2)cc1,CI,0 | |
| CCOC(=O)c1cn(CC)c2cc3c(cc2c1=O)SCS3,CI,0 | |
| O=C1OC(=O)C([Se]c2ccccc2)=C1[Se]c1ccccc1,CI,0 | |
| Cl.c1ccc2c(c1)[nH]c1cnc3c4cccnc4[nH]c3c12,CM,1 | |
| COC1=C(C(=O)OC(C)(C)C)C23CCCCC2(C(C(=O)OC(C)(C)C)=C(OC)C3C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C,CI,0 | |
| CC(C)(C)OC(=O)C1=C(O)C(C(=O)OC(C)(C)C)C23CCCCC12C(C(=O)OC(C)(C)C)C(O)=C3C(=O)OC(C)(C)C,CI,0 | |
| O=C1C2c3[nH]c4ccccc4c3C3CCCC3C2C(=O)N1c1ccccc1,CI,0 | |
| O=C1NC(=O)C2C1c1[nH]c3ccccc3c1C1CCCC12,CI,0 | |
| CC(=O)OC1CCC2C3CCC4=C(O)C(=O)C(C#N)CC4(C)C3CCC12C,CI,0 | |
| CC12CCC(=O)C=C1CCC1C2CCC2(C)c3nn(-c4ccccc4)nc3CC12,CI,0 | |
| CSc1s[s+]c(SC)c1[O-],CI,0 | |
| COc1ccc2nc3ccccc3c(NCCCN(C)CCCl)c2c1.Cl,CI,0 | |
| CC1=NN(C(=O)c2ccccc2)C(C)C1N=Nc1ccccc1C(=O)O,CI,0 | |
| Cc1cccc(N=Nc2c(C)nn(C(=O)c3ccccc3)c2C)c1,CI,0 | |
| Cc1ccc(C(=O)n2nc(C)c(N=Nc3ccccc3)c2C)cc1,CI,0 | |
| Cc1cccc(N=Nc2c(C)nn(C(=O)c3ccccc3Cl)c2C)c1,CI,0 | |
| Cc1cccc(N=Nc2c(C)nn(C(=O)c3ccc(O)cc3)c2C)c1,CI,0 | |
| Cc1nn(C(=O)c2c(O)cccc2Br)c(C)c1N=Nc1ccccc1,CI,0 | |
| COC1=CC2=C3C(Cc4cc5c(c(c4)Oc4ccc(cc4)CC4c6cc7c(cc6CCN4C)OCC3(O7)C1=O)OCO5)N(C)CC2,CI,0 | |
| CCN(c1ccccc1)C1C(=O)N(c2ccc([N+](=O)[O-])cc2)C1c1ccc(OC)cc1,CI,0 | |
| CN(c1ccccc1)C1C(=O)N(c2ccccc2)C1C=Cc1ccccc1,CI,0 | |
| CC(C)N1C(C)C(c2ccccc2)OP1(=O)C=CCC1CC(=O)CCN1Cc1ccccc1,CI,0 | |
| O=NN1C(c2ccccc2)CNC(=O)CC1c1ccccc1,CI,0 | |
| Cc1ccccc1C1SCc2nc3ccccc3n21,CI,0 | |
| FC(F)(F)c1ccccc1C1SCc2nc3ccccc3n21,CI,0 | |
| FC(F)(F)c1cccc(C2SCc3nc4ccccc4n32)c1,CI,0 | |
| FC(F)(F)c1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0 | |
| Fc1cccc(C2SCc3nc4ccccc4n32)c1,CM,1 | |
| Fc1ccccc1C1SCc2nc3ccccc3n21,CM,1 | |
| Clc1cc(Cl)cc(C2SCc3nc4ccccc4n32)c1,CI,0 | |
| Oc1cccc(C2SCc3nc4ccccc4n32)c1,CM,1 | |
| O=[N+]([O-])c1ccc(Cl)c(C2SCc3nc4ccccc4n32)c1,CM,1 | |
| O=[N+]([O-])c1cc(C2SCc3nc4ccccc4n32)ccc1Cl,CI,0 | |
| Oc1ccc(C2Oc3cc(O)cc4c3C(=[O+][AlH3-3]35([O+]=C6c7c(cc(O)cc7[OH+]3)OC(c3ccc(O)cc3O)C6O)([O+]=C3c6c(cc(O)cc6[OH+]5)OC(c5ccc(O)cc5O)C3O)[OH+]4)C2O)c(O)c1,CI,0 | |
| COC(=O)c1cc2c(nc1C)-c1ccccc1OS2(=O)=O,CI,0 | |
| CCSC(=O)C1(C)OC2CCCCC2C1=O,CI,0 | |
| NC(C(=O)O)C(Cl)CC(=O)O,CI,0 | |
| CCOC(=O)C1CC=CC(NC(=O)OC(C)(C)C)C1(c1ccccc1)[N+](=O)[O-],CI,0 | |
| NC(=O)CCC(NC(=O)C(F)(F)F)C(=O)O,CI,0 | |
| CC(=O)OC1C(OC(C)=O)C2(C)C(C(O)C3C2C(C)C=C2OC(=O)C(C)(O)C23C)C2C(O)C(=O)C3CC4OC4C(OC(C)=O)C3(C)C12,CI,0 | |
| Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc(S(C)(=O)=O)nc1S(C)(=O)=O,CI,0 | |
| CC(C)(C)c1cc(Cc2ccc([N+](C)(C)C)cc2)c(O)c(C(C)(C)C)c1.COS(=O)(O)=[OH+],CI,0 | |
| Cc1cccc2c(O)cc(=O)oc12,CI,0 | |
| Cn1cc(C(=O)C(Cl)=C(Cl)C(=O)O)c2ccccc21,CI,0 | |
| CCCCCC1OC(=O)C(=C2CCC(CCCC)O2)C(=O)C1O,CI,0 | |
| COc1cccc(C(=O)N2CCc3ccccc32)c1OC,CI,0 | |
| C1CC2=C(C1)C1=S(S2)SC2=C1CCC2,CI,0 | |
| O=c1c2ccccc2c(=O)n2n1CC=CC2,CI,0 | |
| O=C1OC(=O)C(=Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2,CI,0 | |
| COC1(OC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C1c3ccc(C(C)=O)c4cccc(c34)C12,CI,0 | |
| COc1cc2c(cc1OC)C(C1C(=O)CC(C)(C)CC1=O)NCC2,CI,0 | |
| CCOC(=O)C1=CC(C(=O)OCC)C2C=CC1N2C(=O)OC,CI,0 | |
| COc1cc2c(cc1OC)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1C2,CI,0 | |
| O=c1c(-c2ccccc2)c2c3cccc4cccc(c-2c1-c1ccccc1)c43,CI,0 | |
| COC(=O)C(=O)OC1(C(C)=O)CC2(c3ccccc3)OC1(c1ccccc1)c1ccccc12,CI,0 | |
| CCOC(=O)C1C(=O)c2ccccc2CN1Cc1ccccc1.Cl,CI,0 | |
| COc1cc2c(cn1)[nH]c1ccccc12,CI,0 | |
| CCOC(=O)C(Cc1c(C=O)[nH]c2ccccc12)(NC(=O)c1ccccc1)C(=O)OCC,CI,0 | |
| OC1(c2ccccc2)OC(C#Cc2ccccc2)(c2ccccc2)c2ccccc21,CI,0 | |
| COc1cc(NS(C)(=O)=O)ccc1NCc1c2ccccc2nc2ccccc12,CI,0 | |
| N=C(N)NCCCC(Nc1c2ccccc2nc2ccccc12)C(=O)O,CI,0 | |
| NC(=O)CCC(Nc1c2ccccc2nc2ccccc12)C(=O)O,CI,0 | |
| O=C(O)C(CS)Nc1c2ccccc2nc2ccccc12,CI,0 | |
| CC(C)C(Nc1c2ccccc2nc2ccccc12)C(=O)O,CI,0 | |
| O=C(O)CNc1c2ccccc2nc2ccccc12,CI,0 | |
| N=C(N)NCCCC(NCc1c2ccccc2nc2ccccc12)C(=O)O,CI,0 | |
| CC(C)C(NCc1c2ccccc2nc2ccccc12)C(=O)O,CI,0 | |
| O=C(O)C(CS)NCc1c2ccccc2nc2ccccc12,CI,0 | |
| COS(=O)(O)=[OH+].Cc1ccc(S(=O)(=O)NN=Cc2c3ccccc3[n+](C)c3ccccc23)cc1,CI,0 | |
| COS(=O)(O)=[OH+].C[n+]1c2ccccc2cc2c(CNC(CCCNC(=N)N)C(=O)O)cccc21,CI,0 | |
| COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(CNC(CCC(N)=O)C(=O)O)c2ccccc21,CI,0 | |
| COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(CNC(CS)C(=O)O)c2ccccc21,CI,0 | |
| CC(C)C(NCc1c2ccccc2[n+](C)c2ccccc12)C(=O)O.COS(=O)(O)=[OH+],CI,0 | |
| COc1cc2cc[n+]3c(c2cc1OC)C(=O)c1ccccc1-3.OS(O)(=[OH+])=[OH+],CI,0 | |
| O=C1C2C(C(=O)N1c1ccccc1)C1(c3ccccc3)SC2(c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c21,CI,0 | |
| CN1C2(c3ccccc3)c3c(-c4ccccc4)sc(-c4ccccc4)c3C1(c1ccccc1)C1C(=O)N(c3ccccc3)C(=O)C12,CI,0 | |
| c1ccc(N2N=NC3C4CC(C5c6ccccc6C45)C32)cc1,CI,0 | |
| COc1ccc(-c2ccccc2)c2[nH]c3c(c12)CCNC3=O,CI,0 | |
| COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(NC(CCCNC(=N)N)C(=O)O)c2ccccc21,CI,0 | |
| COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(NC(CCC(N)=O)C(=O)O)c2ccccc21,CI,0 | |
| COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(NC(CS)C(=O)O)c2ccccc21,CI,0 | |
| CC(C)C(Nc1c2ccccc2[n+](C)c2ccccc12)C(=O)O.COS(=O)(O)=[OH+],CI,0 | |
| Cc1ccc(S(=O)(=O)NN=Cc2c3ccccc3[n+]([O-])c3ccccc23)cc1,CI,0 | |
| N=C(N)NCCCC(NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O,CI,0 | |
| NC(=O)CCC(NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O,CI,0 | |
| O=C(O)C(CS)NCc1c2ccccc2[n+]([O-])c2ccccc12,CI,0 | |
| CC(C)C(NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O,CI,0 | |
| N=C(N)NS(=O)(=O)c1ccc(NCc2c3ccccc3[n+]([O-])c3ccccc23)cc1,CI,0 | |
| N=C(N)NCCCC(Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O,CI,0 | |
| NC(=O)CCC(Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O,CI,0 | |
| O=C(O)C(CS)Nc1c2ccccc2[n+]([O-])c2ccccc12,CI,0 | |
| CC(C)C(Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O,CI,0 | |
| CCOC(=O)CNC1C(NC(C)=O)C(OC)OC2COC(c3ccccc3)OC21,CI,0 | |
| O=C1C2C3SC(c4ccccc43)C2C(=O)N1c1ccccc1,CI,0 | |
| CCOC(=O)C(NO)C(Sc1ccccc1)c1ccc(OC)cc1,CI,0 | |
| COc1cc2c3c(c1OC)-c1cc(O)ccc1CC3NCC2,CI,0 | |
| O=C(O)c1c[nH]c2c([N+](=O)[O-])cccc2c1=O,CI,0 | |
| CCN(CCCl)CCNc1c2ccccc2nc2ccc(OC)cc12.Cl,CI,0 | |
| COc1cc2c(cc1OC)C(C#N)N(C(=O)c1ccccc1)C=C2OC(=O)c1ccccc1,CI,0 | |
| O=C1c2c(oc3c2C(=O)c2cccc4cccc-3c24)-c2cccc3cccc1c23,CI,0 | |
| N#CC12Cc3ccc4c(c3-c3cccc(c31)CCN2C(=O)c1ccccc1)OCO4,CI,0 | |
| COc1cccc(-c2nccc3c(OCc4ccccc4)c(OC)c(OC)cc23)c1,CI,0 | |
| CCCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,CI,0 | |
| O=C1NC2CCCCC2C12CCCCC2,CI,0 | |
| CC1(O)CCC2(C)C(=O)C1(C)CCC21OCCO1,CI,0 | |
| CC12CCC3C(CC4OC(=O)C35CCC(=O)C=C45)C1CCC2=O,CI,0 | |
| CC(C)CCCC(C)C1CCC2C3C(O)C4CC45C=CCCC5(C)C3CCC12C,CI,0 | |
| O=C1CC2C=CC1C2CO,CI,0 | |
| CC1=C2CCC3(C)C(=CCC3O)C2(C)CCC1=O,CI,0 | |
| CCCCCCCCCC(=O)OC1CN2CCC(O)C2C(O)C1O,CI,0 | |
| O=c1c(-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1=O,CI,0 | |
| Cc1cn2c(=O)c3ncn(C4OC(CO)C(O)C4O)c3n(C)c2n1,CI,0 | |
| CCC(=O)NC1=CC(=O)C(=O)c2cccnc21,CI,0 | |
| O=c1c2ccccc2n2n1CC(O)C2,CI,0 | |
| Cc1cn(C2CC(O)C(CO)O2)c(=O)n2nnnc12,CI,0 | |
| COc1ccc2c(C(=O)O)cc3ccccc3c2c1OC,CI,0 | |
| ON1CCc2c([nH]c3ccccc23)C1c1ccccc1Br,CI,0 | |
| CC(=O)OC12C=CC(=O)N1c1ccccc1C(=O)O2,CI,0 | |
| c1ccc(C[Sn](Cc2ccccc2)(Oc2cccc3cccnc23)Oc2cccc3cccnc23)cc1,CI,0 | |
| CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(N)CCC(N)=O)C(C)C)C(C)C)C(C)O)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)O,CI,0 | |
| CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)c6ccccc6)C(C)(C)C5CCC43C)C2C1C,CI,0 | |
| CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=C(C)C(C)=O)c(=O)n1C,CI,0 | |
| COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=CC=Nc2c(NC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)nc(OC)n(C)c2=O)c(=O)n1C,CI,0 | |
| COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(n1)OCC2=O,CI,0 | |
| CC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O,CI,0 | |
| Cc1c(C)c2ccc(OC(C)C(=O)O)cc2oc1=O,CI,0 | |
| O=C(C=Cc1ccc(O)cc1)c1cc(Cl)ccc1O,CI,0 | |
| COC1(OC)CC2C(=O)N(Cc3ccccc3)C1C=C2S(=O)(=O)c1ccccc1,CI,0 | |
| CCN(CC)CC.O=C1c2ccccc2C(=O)C1(Cl)C1(S(=O)(=O)O)c2ccccc2-c2ccccc21,CI,0 | |
| CC1CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2C3=O)C1,CI,0 | |
| Cc1c(-c2ccccc2)c(=O)oc2ccc(Cl)cc12,CI,0 | |
| COc1ccc(C2(CN(C)C)COc3cc(OC)c(OC)cc3C2=O)cc1OC,CI,0 | |
| C=C=C(CC)C(C(=O)OC)N(CC)CC.Cl,CI,0 | |
| O=C1C(=NO)S(=O)(=O)c2ccccc21,CI,0 | |
| COC(=O)c1cc(=O)nc2cc3cccccc3n12,CI,0 | |
| CC(=O)OC1CCC2(C)C(=CCC3C4=CC=C(C(C)=O)C4(C)CCC32)C1,CI,0 | |
| CC12CCC(O)CC1=CCC1C2C(O)CC2(C)C(O)CCC12,CI,0 | |
| CC1CCC(=[N+](C)[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2CCC(C(C)C(=O)O)C=C12,CI,0 | |
| C=CCC12CCC(=O)C1(C)CC=C(O)C2=O,CI,0 | |
| CC12CCC3(OCCO3)C(OC(=O)c3ccccc3)=C1CCC21OCCO1,CI,0 | |
| OCC1C2C=CC(O2)C1CO,CI,0 | |
| Nc1ccc(C(=O)O)c2[nH]c3ccccc3c(=O)c12,CI,0 | |
| COc1nc(N)c(N=O)c(=O)n1C,CI,0 | |
| C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC=C1CCOC1=O,CI,0 | |
| CCCCCCCCCCCCCc1nn[nH]n1,CI,0 | |
| CSc1snc2sc3c(Cl)nnnc3c12,CI,0 | |
| COC(=O)C1Cc2c(n(C)c3ccccc23)C(c2ccccc2)N1,CI,0 | |
| COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2O)N1Cc1ccccc1,CI,0 | |
| CC=C(NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C1CSC(C)C(NC(=O)C2CSCC(NC(=O)C(C)NC(=O)C(N)C(C)CC)C(=O)NC(CCCCN)C(=O)NC(Cc3ccccc3)C(=O)NC(CC(C)C)C(=O)N2)C(=O)N2CCCC2C(=O)NCC(=O)N1)C(=O)NCC(=O)NC1CSCC2NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CSC=CNC2=O)NC(=O)C(CC(N)=O)NC(=O)C(Cc2ccccc2)NC1=O,CI,0 | |
| CN1C(=O)C(C)(C)NS1(=O)=O,CI,0 | |
| O=C1C=CC(=O)OCCCC(=O)C=CC(=O)OCCC1,CI,0 | |
| CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)CC1(C)OC(=O)CC(C)(C)C1=CC2,CI,0 | |
| CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)CC1(C)OC(=O)CC(C)(C)C1(OC(C)=O)C=C2,CI,0 | |
| O=C(ON=C1CCCC1=Cc1ccccc1)c1ccc(Cl)cc1,CI,0 | |
| O=C1CCC(c2ccccc2)=NN1c1nc2ccccc2s1,CI,0 | |
| CC(CO)C1=C(c2c[nH]c3ccccc23)C2C(C)CC(O)C3(C)C(C)CCC(O)C23CC1,CI,0 | |
| O=C1CNCCNCC(=O)Nc2ccccc2-c2ccccc2N1,CI,0 | |
| CCN1C(=O)CCCCC(=O)Nc2ccccc2-c2ccccc21,CI,0 | |
| CCN(CC)CSc1nc2ccccc2[nH]1.Cl,CI,0 | |
| O=C1C2=C(NC(c3ccccc3)C(c3ccccc3)N2)C(=O)c2ccccc21,CI,0 | |
| O=C1c2ccccc2C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)nc21,CI,0 | |
| CC(=O)CCC1(c2ccccc2)OC(=O)C(C#N)=C1c1ccccc1,CI,0 | |
| CCOC(=O)c1cnc(NC)n2nc(-c3ccccc3)nc12,CI,0 | |
| COC(=O)Cc1cc(=O)oc2c1C(=O)CCC2,CI,0 | |
| c1cc2c(s1)CCCC2=NN=C1CCCc2sccc21,CI,0 | |
| CC(=O)N1CC2Nc3ccccc3C2CC1CO,CI,0 | |
| Cl.OCc1cc2c(cn1)[nH]c1ccc(NCc3ccccc3)cc12,CI,0 | |
| COc1ccc(N=c2ssc3c(=S)ssc23)cc1,CI,0 | |
| CCOP(=O)(OCC)C1CC(C)OC1=O,CI,0 | |
| Clc1ccc(OCc2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,CI,0 | |
| CN(N=Cc1ccnc2ccccc12)c1ccccc1,CI,0 | |
| c1nc2cscc2c2cscc12,CI,0 | |
| O=[N+]([O-])C1C2C=CC(C2)C1c1ccc(Cl)cc1Cl,CI,0 | |
| COC1C2C=CC(C2)C1[N+](=O)[O-],CI,0 | |
| N=C1NN(c2ccccc2)C(=O)C1C(=NNC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Cl)cc1,CI,0 | |
| Cc1c(C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)[n+]([O-])c2ccccc2[n+]1[O-],CI,0 | |
| CCC(CC(=O)CCC(=O)Nc1c(C)cccc1C)=NNC(=O)NN,CI,0 | |
| O=c1n(-c2ccccc2)c(=O)n2n1C1C=CC2C2C(C1)C2(Cl)Cl,CI,0 | |
| CCC(=C(c1ccccc1)c1ccc(OCC[N+](C)(C)C)cc1)c1ccccc1.[I-],CI,0 | |
| O=C1[OH+][Co-4]23(NCCN2)(NCCN3)[OH+]1.[O-]C(O)=[OH+],CI,0 | |
| CCOC(=O)NC(=O)c1cn(CCOC(=O)NCCCCCCNC(=O)OCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O,CI,0 | |
| CCOC(=O)NC(=O)c1cn(CCCCCOC(=O)NCCCCCCNC(=O)OCCCCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O,CI,0 | |
| CC[S+](C)c1ccc(-c2c3ccc(n3)c(-c3ccc([S+](C)CC)cc3)c3ccc([nH]3)c(-c3ccc([S+](C)CC)cc3)c3ccc(n3)c(-c3ccc([S+](C)CC)cc3)c3ccc2[nH]3)cc1.[O-][Cl+3]([O-])([O-])O,CM,1 | |
| CC(C)SC1SCC2C(=O)N(C)C3(CC3C)C(=O)OCC(NC(=O)c3nc4ccccc4cc3O)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C1(CC1C)C(=O)OCC(NC(=O)c1nc3ccccc3cc1O)C(=O)NC(C)C(=O)N2C,CI,0 | |
| CN(N=Cc1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0 | |
| CCOc1ccc(N=Cc2c3ccccc3nc3ccccc23)cc1,CI,0 | |
| Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)cccc34)cc2)no1,CI,0 | |
| NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1,CI,0 | |
| O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccc(Cl)cc12,CI,0 | |
| CCCCCCC=CCCCCCCCCCC1=C(CN2CCN(C)CC2)C(=O)C=C(OC)C1=O.Cl,CI,0 | |
| Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C3(SC=NN3C)C2=O)cc1,CI,0 | |
| CN1N=CSC12C(=O)N(c1ccc(Cl)cc1)C(=O)N2c1ccc(Cl)cc1,CI,0 | |
| CCN1N=CSC12C(=O)N(c1ccccc1)C(=O)N2c1ccccc1,CI,0 | |
| O=C1N(c2ccccc2)C(=O)C2(SC=NN2Cc2ccccc2)N1c1ccccc1,CI,0 | |
| COc1cc(N=[N+]2[Cu-][OH+]C(=O)c3ccccc32)cc2c1[OH+][Cu-][N+]([N-]C(=S)Nc1ccc(C)cc1)=C2,CI,0 | |
| O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccccc1,CI,0 | |
| O=C1OC(c2ccccc2)=NC1=Cc1cc(Cl)ccc1Cl,CI,0 | |
| CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NCC(=O)O)[SH+][Ni-2]23[SH+]1,CI,0 | |
| CC12CCC3C(CCC4c5nonc5CCC43C)C1CCC2=O,CI,0 | |
| COc1ccc(OC)c2[nH]c(Sc3c([N+](=O)[O-])ncn3C)nc12,CI,0 | |
| Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccc(Cl)cc2)n1C,CI,0 | |
| CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)O)C(C)O,CI,0 | |
| CCN(CCCl)CCCCNc1c2ccccc2nc2ccc(OC)cc12.Cl,CI,0 | |
| COc1ccc2nc3ccccc3c(NCCCCCN(C)CCCl)c2c1.Cl,CI,0 | |
| O=C(Cc1ccccc1[N+](=O)[O-])C(CO)c1ccccc1[N+](=O)[O-],CI,0 | |
| CN1C(=O)N=C(Nc2nc(Cc3ccc4c(c3)OCO4)cn2C)C1=O,CI,0 | |
| CCC1CC(C)=CCN1S(=O)(=O)c1ccc(C)cc1,CI,0 | |
| N[Co-4](N)(N)(N)(N)[NH+]1N=NC(c2[nH]nn[nH+]2)=N1.[Cl-],CI,0 | |
| C=CC1=CC(C)CC1(O)C(=O)OC,CI,0 | |
| COC(=O)C1(O)CC(C)C=C1C=O,CI,0 | |
| CCOC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1,CI,0 | |
| O=C(C=Cc1ccccc1)c1c2ccccc2cc2ccccc12,CI,0 | |
| Cc1cccc(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=NNC(=S)NN)C2=O)c1C,CI,0 | |
| CCOC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl,CI,0 | |
| Fc1ccccc1C1CC(C(c2ccccc2)c2ccccc2)=Nc2ccccc2S1,CI,0 | |
| Cc1ccc(C2=Nc3ccccc3SC(c3cccc4c3OCO4)C2)cc1,CI,0 | |
| CC1=C(C(=O)Nc2ccccc2C)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccccc2C)=C(C)N1,CI,0 | |
| CC(C(=O)c1ccc(Cl)cc1)C1OC(=O)C(Cl)=C1Cl,CI,0 | |
| CCCCNC1=C(C(=O)OCC)C(=O)CO1,CI,0 | |
| N=C(N)NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O,CI,0 | |
| CCOC(=O)C1SC(=Nc2ccc(Cl)c(Cl)c2)N=C1C,CI,0 | |
| C=CCNC1=NC(=O)C(CC(=O)Nc2ccc(C)cc2)S1,CI,0 | |
| CC1=C(C(=O)Nc2ccccc2)C(c2cc(Cl)cc(Cl)c2)C(C(=O)Nc2ccccc2)=C(C)N1,CI,0 | |
| CC(=O)c1c(O)ccc(O)c1-n1nc(C)c([N+](=O)[O-])c1C,CI,0 | |
| N#Cc1cc2ccncc2c2ccccc12,CI,0 | |
| c1ccc(C2=Nc3ccccc3N=C(c3ccccc3)C2)cc1,CI,0 | |
| CCc1cc(CCC(=O)Nc2ccccc2[N+](=O)[O-])nc(S)n1,CI,0 | |
| N#CCCN(CCC#N)c1ccc(C=C2CC(O)(c3ccccc3)NC2=O)cc1,CI,0 | |
| Cc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)CC2(O)c2ccccc2)cc1,CI,0 | |
| Cc1ccc(NC(=O)CCC(=O)C2CC(=O)CCC2=O)cc1C,CI,0 | |
| Cc1ccccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)nc(S)n1,CI,0 | |
| CCCCN(CCCC)C(=O)C(=O)C(C#N)c1ccc(C)cc1,CI,0 | |
| Nc1nc(N)c(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1,CI,0 | |
| N#CNc1nc(C(=O)Nc2ccc(Cl)cc2)cc(-c2ccccc2)n1,CI,0 | |
| N=c1nc2sc3ccccc3c(=O)n2[nH]1,CI,0 | |
| CCCCCCCCCCCC(=O)C1=C(O)CC(O)CC1=O,CI,0 | |
| O=C(CCCCCCCCCCc1ccccc1)C1=C(O)CCCC1=O,CI,0 | |
| Cc1ccc(SCC(=O)C2=C(O)CCCC2=O)cc1,CI,0 | |
| N=C1NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1,CI,0 | |
| O=C(CCC(CC(=O)c1ccc(Br)cc1)=NO)Nc1ccc(Cl)c(Cl)c1,CI,0 | |
| Cc1cccc(C)c1NC(=O)CCC(=O)CC(=O)C(C)C,CI,0 | |
| CC1=C2C(c3ccccc3)C3C=CC2(c2ccccc23)N(C(=O)C(c2ccccc2)c2ccccc2)C1=O,CI,0 | |
| CC1=C2C(c3ccccc3)C3C=CC2(c2ccccc23)N(C(=O)Nc2cccc3ccccc23)C1=O,CI,0 | |
| CC(SC(=S)N1CCOCC1)c1cc2oc(=O)n(C)c2cc1Cl,CI,0 | |
| CC1(C)CC2CC(CC(C)(C)C2=O)C1=O,CI,0 | |
| O=[N+]([O-])c1ccc(Cc2nc3ccccc3s2)cc1,CI,0 | |
| O=C1N=C(Nc2ccccc2Cl)SC1C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0 | |
| Cc1cc(Cl)ccc1NC(=O)CC1SC(Nc2ccccc2Cl)=NC1=O,CI,0 | |
| N=C1NC(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S1,CI,0 | |
| Cc1ccc(NC(=O)CC2SC(Nc3cccc(Cl)c3C)=NC2=O)cc1,CI,0 | |
| Cc1cc(Cl)ccc1NC1=NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1,CI,0 | |
| COc1c(Cl)cc(C(=Cc2c(F)c(F)c(F)c(F)c2F)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N,CM,1 | |
| CCCCCCCCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1.N,CI,0 | |
| Cc1c(C(=O)NCCO)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-],CI,0 | |
| ON=C1C(=Cc2ccc3c(c2)OCO3)CCCC1C(NO)c1ccc2c(c1)OCO2,CI,0 | |
| O=C(Nc1cccc(Cc2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1,CI,0 | |
| Nc1nc(CC2(O)CCCCC2)cc(-c2ccccc2)n1,CI,0 | |
| O=C(CC(O)(c1ccccc1)c1ccc(Cl)cc1)NC(=O)c1ccccc1O,CI,0 | |
| Cc1nc(O)nc(CC(O)(c2ccccc2)c2ccccc2)c1-c1ccccc1,CI,0 | |
| O=C(CC1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0 | |
| Cc1cccc(NC2=NC(=O)C(CC(=O)Nc3cccc(C)c3C)S2)c1,CI,0 | |
| CCCCCCC(O)CC=CCCCCCCC(C(=O)OC)=C(O)C(=O)OCC.[NaH],CI,0 | |
| CCC(C)(O)c1cn(-c2cccc(S(=O)(=O)O)c2)nn1,CI,0 | |
| CCCC(O)c1cn(-c2cccc(S(=O)(=O)O)c2)nn1,CI,0 | |
| CCC(C)(O)c1cn(-c2ccc(S(=O)(=O)O)cc2)nn1,CI,0 | |
| O=C(NCc1ccccc1)C1C(=O)C(=O)N(Cc2ccccc2)C1=O,CI,0 | |
| CCc1cccc(CC)c1NC(=O)CC1SC(=N)NC1=O,CI,0 | |
| Cc1cc(Cl)ccc1NC1=NC(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S1,CI,0 | |
| CCc1cccc(C(C)CC)c1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O,CI,0 | |
| N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cccc23)cc1,CI,0 | |
| N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(N)(=O)=O)cc4)c4ccccc4nc23)cc1,CI,0 | |
| N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)ccc(Cl)c23)cc1,CI,0 | |
| Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)ccc(Cl)c34)cc2)n1,CI,0 | |
| Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4c(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cccc34)cc2)n1,CI,0 | |
| Cn1cc2c(n1)c(NN=Cc1ccccc1)nn1nnnc21,CI,0 | |
| Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(F)cc2)c(N2CCOCC2)c1=O,CI,0 | |
| Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccccc2)c(N2CCCC2)c1=O,CI,0 | |
| COc1ccc(C=CC(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2CCCC2)cc1,CI,0 | |
| Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(Cl)cc2)c(N2CCCC2)c1=O,CM,1 | |
| Cn1nc(-c2ccccc2)c2c(C=Cc3ccc(F)cc3)onc2c1=O,CI,0 | |
| Nc1ncnc2c1ncn2COCC=CI,CI,0 | |
| C#CCOCn1cnc2c(N)ncnc21,CI,0 | |
| O=C(N=C(Nc1ccccc1)SCCSC(=NC(=O)c1ccccc1)Nc1ccccc1)c1ccccc1,CI,0 | |
| Nc1c(-c2nc3ccccc3[nH]2)sc(=S)n1-c1ccc(Cl)cc1,CI,0 | |
| O=c1sc(-c2nc3ccccc3[nH]2)c(N=Cc2ccccc2)n1-c1ccccc1,CI,0 | |
| S=C(Nc1ccccc1)Nc1[nH]c(=S)sc1-c1nc2ccccc2[nH]1,CI,0 | |
| CN1c2ccccc2N(C)C23N(C)c4ccccc4N(C)C12N(C)c1ccccc1N3C,CI,0 | |
| O=C(NC(=O)c1c(Cl)nc2sccn12)Nc1ccc(Cl)cc1,CI,0 | |
| O=C(c1ccc(F)cc1)c1cccc(C(=O)c2ccc(F)cc2)n1,CI,0 | |
| O=C(c1ccc(NCN2C(=O)CCC2=O)cc1)c1ccc(NCN2C(=O)CCC2=O)cc1,CI,0 | |
| N#Cc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cccc(C#N)c4)C5=O)cc3C2=O)c1,CI,0 | |
| CC(=NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc[n+]1[O-],CI,0 | |
| CC(=NNS(=O)(=O)c1ccccc1)c1ccc[n+]([O-])n1,CI,0 | |
| CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc[n+]([O-])n1,CI,0 | |
| CC(=NNS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc[n+]([O-])n1,CI,0 | |
| C(=CP(c1ccccc1)c1ccccc1)P(C=CP(c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| [O+]#C[Ru+]123([O-])(C#[O+])C4=C1C1CC4C2=C13,CI,0 | |
| Brc1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1,CI,0 | |
| COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C(C)=O)c4C1)CCC5)C3)CCC2,CI,0 | |
| CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)=O)c3C1)CCC4)CCC2,CI,0 | |
| CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)O)c3C1)CCC4)CCC2,CI,0 | |
| [N-]=[N+]=Nc1ccc(S(=O)(=O)Oc2cc(OS(=O)(=O)c3ccc(N=[N+]=[N-])cc3)cc(OS(=O)(=O)c3ccc(N=[N+]=[N-])cc3)c2)cc1,CI,0 | |
| CCN(CC)CCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccnc1,CI,0 | |
| c1cncc(C2c3[nH]c4ccccc4c3CCN2CCCN2CCCCC2)c1,CI,0 | |
| c1ccc(N2CCN(CCCN3CCc4c([nH]c5ccccc45)C3c3cccnc3)CC2)cc1,CI,0 | |
| O=C(O)c1ccccc1N=NNc1ccc(C=Cc2ccc(N=NNc3ccccc3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CA,1 | |
| Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1C(=O)C(C#N)=Cc1ccccc1,CI,0 | |
| O=C1C(c2ccccc2Cl)C2CC=CC2N1O,CI,0 | |
| O=C1c2ccc([N+](=O)[O-])cc2[N+](=O)[C-]1c1ccc([C-]2C(=O)c3ccc([N+](=O)[O-])cc3[N+]2=O)cc1,CI,0 | |
| CCCC[Sn]1(CCCC)OC(=O)c2cccnc2O1,CI,0 | |
| [N-]=[N+]=Nc1c(Br)c(=O)[nH]c(=O)n1COCCO,CI,0 | |
| Cn1c2c(c3ccccc31)CCN(CCN1CCN(c3ccccc3)CC1)C2=O,CI,0 | |
| Cn1c2c(c3ccccc31)CCN(CCCCN1CCCCC1)C2=O,CI,0 | |
| Cn1c2c(c3ccccc31)CCN(CCCCN1CCN(c3ccccc3)CC1)C2=O,CI,0 | |
| Cn1c2c(c3ccccc31)CCN(CCCCN1CCN(c3cccc(Cl)c3)CC1)C2=O,CI,0 | |
| CC(C)C1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21,CI,0 | |
| c1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)cc1,CI,0 | |
| Clc1ccccc1C1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21,CI,0 | |
| Clc1cccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c1,CI,0 | |
| Clc1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)cc1,CI,0 | |
| O=[N+]([O-])c1ccccc1C1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21,CI,0 | |
| O=[N+]([O-])c1cccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c1,CI,0 | |
| O=[N+]([O-])c1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)cc1,CI,0 | |
| CCN(CC)c1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)cc1,CI,0 | |
| COc1cccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c1OC,CI,0 | |
| c1cncc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c1,CI,0 | |
| CC(C)=[N+]1[OH+][W+2]12345(C#[O+])(C#[O+])C1=C2[C-]3C4=C15,CI,0 | |
| C#CCOCn1cnc2c(S)ncnc21,CI,0 | |
| c1c2c(cc(-n3nnc4c3CCCCCC4)c1-n1nnc3c1CCCCCC3)CCCCCC2,CI,0 | |
| CSCC(COC(C)=O)(CSC)c1ccncc1,CI,0 | |
| [ClH2+].c1nc2[nH]cnc2c(=[S+][Fe-2]([S+]=c2[nH]cnc3[nH]cnc23)([S+]=c2[nH]cnc3[nH]cnc23)[S+]=c2[nH]cnc3[nH]cnc23)[nH]1,CI,0 | |
| O=C1CCCC1(CCSc1ccccc1)C(CCCl)Sc1ccccc1,CI,0 | |
| COCCN1C(=O)C(NC(C)=O)C1COC(C)(C)C,CI,0 | |
| CCCCN1C(=O)C(O)(NC(C)=O)C1COC(C)(C)C,CI,0 | |
| CC(=O)NC1C(=O)N(C(COCc2ccccc2)c2ccccc2)C1COC(C)(C)C,CI,0 | |
| CC1=C(C(=O)NCc2ccccc2)C(C=Cc2ccccc2)C(C(=O)NCc2ccccc2)=C(C)N1,CI,0 | |
| CC(CCn1[nH]c(=O)ccc1=O)=NNC(=N)N,CI,0 | |
| O=C(CCn1[nH]c(=O)c(Cl)c(Cl)c1=O)NOCCCc1ccccc1,CI,0 | |
| CC(CCn1[nH]c(=O)ccc1=O)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0 | |
| O=c1c(=Cc2ccccc2[N+](=O)[O-])sc2nnc(-c3cccnc3)n12,CI,0 | |
| CCOC(=O)C1SC(=Nc2ccc(Cl)cc2)N=C1C,CI,0 | |
| CCOC(=O)C1SC(=Nc2ccccc2)N=C1C,CI,0 | |
| CCOC(=O)CC1=NC(=Nc2cc(Cl)ccc2Cl)SC1,CI,0 | |
| NC(=O)NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O,CI,0 | |
| CCOC(=O)CC1=CSC2=NCCN12,CI,0 | |
| C=CCN=C1N=C(CC(=O)OCC)CS1,CI,0 | |
| CC(CCn1[nH]c(=O)ccc1=O)=NNC(=O)C(N)=O,CI,0 | |
| CCOC(=O)CC1=Nc2ccccc2SC1,CI,0 | |
| O=c1c(=Cc2ccccc2[N+](=O)[O-])sc2nc3ccccc3n12,CI,0 | |
| [O+]#C[Cr]12(C#[O+])(C#[O+])[PH](CCP(c3ccccc3)c3ccccc3)(c3ccccc3)CC[PH]1(c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1,CI,0 | |
| Clc1c[nH]c2cccc3nccc1c32,CI,0 | |
| CCOC(=O)C(=CCC1NCCc2c1[nH]c1ccccc21)C(=O)OCC,CI,0 | |
| CC=C(C1CC2c3[nH]c4ccccc4c3CCN2C(=O)C1C(=O)OCC)[Si](C)(C)C,CI,0 | |
| CCOC(=O)C(CCC1c2[nH]c3ccccc3c2CC(C#N)N1C(=O)C(F)(F)F)C(=O)OCC,CI,0 | |
| CC(C)(C)C1(O)Cc2ccccc2C(=O)O1,CI,0 | |
| CC1=Nc2ccccc2S(=O)(O)=N1,CI,0 | |
| COc1ccc2c(c1)C=C(C(C)(C)C)N=S2(=O)O,CI,0 | |
| Cc1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(C)cc5)cc4)n3)cc2)cc1,CI,0 | |
| Cc1nc2ccccc2c(=O)n1-c1ccccc1F,CI,0 | |
| CC(C)(C)C1=Cc2cc3cc(C(C)(C)C)nc(O)c3cc2S(=O)(O)=N1,CI,0 | |
| CC1=C(OCCCl)C2CC1C1C(=O)N(c3ccccc3)C(=O)C21,CI,0 | |
| O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccc(Cc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccccc5)=C4c4ccccc4)cc3)cc2)=C1c1ccccc1,CI,0 | |
| CN(c1ccc(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1)S(C)(=O)=O,CI,0 | |
| C=CCNC1=NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1,CI,0 | |
| Cc1cccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)c1C,CI,0 | |
| O=C(CC1C(=O)Nc2ccccc2S1=O)Nc1cc(Cl)ccc1Cl,CI,0 | |
| Cc1ccccc1NC(=O)CC1C(=O)Nc2ccccc2S1=O,CI,0 | |
| Cc1cc(Cl)ccc1NC(=O)CC1SC(NC(=O)c2ccccc2Cl)=NC1=O,CI,0 | |
| CCCCCCCCCCCCCC(=O)NO,CI,0 | |
| O=[N+]([O-])c1ccccc1C1SCc2nc3ccccc3n21,CM,1 | |
| O=[N+]([O-])c1cccc(C2SCc3nc4ccccc4n32)c1,CI,0 | |
| O=[N+]([O-])c1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0 | |
| N#Cc1cccc(C2SCc3nc4ccccc4n32)c1,CM,1 | |
| FC(F)(F)c1cc(C2SCc3nc4ccccc4n32)cc(C(F)(F)F)c1,CI,0 | |
| Fc1ccc(C2SCc3nc4ccccc4n32)cc1Cl,CI,0 | |
| CC(=O)OC1CC(C)=CC2OC(=O)C3(C)OC23C(O)C2C3(C)OC3CC(OC(C)=O)C2(C)C1OC(C)=O,CI,0 | |
| CCCC(=O)OC1C(OC(C)=O)CC(C)=CC2OC(=O)C3(C)OC23C(O)C2C3(C)OC3CC(OC(C)=O)C12C,CI,0 | |
| COC(=O)C(=O)CC(=O)CCn1ncc(Cl)c(Cl)c1=O,CI,0 | |
| O=c1c(=Cc2ccco2)sc2nc3ccccc3n12,CI,0 | |
| O=c1c(=Cc2ccccc2O)sc2nc3ccccc3n12,CI,0 | |
| S=c1[nH]nc(C(c2ccccc2)c2ccccc2)[nH]1,CI,0 | |
| COc1ccc2c(c1)N1CCc3cc(OC)c(OC)cc3C1C2,CI,0 | |
| CCN(CC)c1c(C)nnc2c(C)c(-c3ccccc3)nn12,CI,0 | |
| COC(=O)C1ON(c2ccccc2)C2c3ccccc3-c3ccccc3C12,CI,0 | |
| CC1(C)OOC(O)C=C1c1ccccc1,CI,0 | |
| C1=Cc2ccccc2C(c2ccccc2)=NC1,CI,0 | |
| Cc1nc2n(C)c3ncn(Cc4ccccc4)c3c(=O)n2c1C=CC(C)C,CI,0 | |
| CCc1ccccc1NC(=O)C(CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-])=NNS(=O)(=O)c1ccc(C)cc1,CI,0 | |
| COC(=O)C1=C(OC)C(C(=O)OC)C2(C)C(C(=O)OC)=C(OC)C(C(=O)OC)C12C,CI,0 | |
| NN=c1c2ccccc2c2cc3c(cc12)c(=NN)c1ccccc13,CI,0 | |
| NCC1(N2CCOCC2)C2CCCC21CO,CI,0 | |
| Nc1c(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc5cc(S(=O)(=O)O)ccc5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)ccc2cc(S(=O)(=O)O)ccc12.[NaH],CM,1 | |
| Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(N=Nc3ccc(CCc4ccc(N=Nc5ccc6c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c6c5O)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c(O)c12.[NaH],CA,1 | |
| Nc1c(N=Nc2ccc(CCc3ccc(N=Nc4cc(S(=O)(=O)O)c5cccc(S(=O)(=O)O)c5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12.[NaH],CA,1 | |
| O=S(=O)(O)c1ccc2c(N=Nc3ccc(CCc4ccc(N=Nc5c(O)ccc6cc(S(=O)(=O)O)ccc56)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c(O)ccc2c1.[NaH],CM,1 | |
| C#CCNC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0 | |
| C#CCNC(=O)ON1C(=O)CCC1=O,CI,0 | |
| C=CCNC(=O)ON1C(=O)CCC1=O,CI,0 | |
| C=CCN(N=O)C(=O)ON1C(=O)CCC1=O,CI,0 | |
| C(=C1CCCC(=Cc2ccccc2)C1=NNc1ccccc1)c1ccccc1,CI,0 | |
| CCN(CC)c1ccc(C=C2C[N+](C)(C)CC(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1.[I-],CI,0 | |
| COc1ccc(C=C2C[N+](C)(C)CC(=Cc3ccc(OC)cc3)C2=O)cc1.[I-],CI,0 | |
| CSc1ccc(C=C2C[N+](C)(C)CC(=Cc3ccc(SC)cc3)C2=O)cc1.[I-],CI,0 | |
| CCCCCCCCCCCCCCCCN[Si](NCCCCCCCCCCCCCCCC)(NCCCCCCCCCCCCCCCC)NCCCCCCCCCCCCCCCC.Cl,CI,0 | |
| CCOC(=O)C(=O)Nc1cccc(Cl)c1C,CI,0 | |
| C[PH]1(C)CC[PH](c2ccccc2)(c2ccccc2)[Ni-2]1([ClH+])[ClH+],CI,0 | |
| [O+]#C[Mo+2]1234(C#[O+])(C#[O+])([CH-]c5ccccc5)C5=C1[C-]2C3=C54,CI,0 | |
| O=C([OH+][Mo+2]1234(C#[O+])(C#[O+])(C#[O+])C5=C1[C-]2C3=C54)C(F)(F)F,CI,0 | |
| c1ccc(P(CCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| CN1[PH](F)(F)[Ni-2]2([PH](c3ccccc3)(c3ccccc3)c3ccccc3)[PH](F)(F)N(C)[PH](F)(F)[Ni-2]([PH](c3ccccc3)(c3ccccc3)c3ccccc3)([PH]1(F)F)[PH](F)(F)N(C)[PH]2(F)F,CI,0 | |
| C[PH]1(C)CC[PH]2(C)CC[PH](C)(C)[Cr]12(C#[O+])(C#[O+])C#[O+],CI,0 | |
| [I-][Pd-2]([I-])([PH](N1CCOCC1)(N1CC1)N1CC1)[PH](N1CCOCC1)(N1CC1)N1CC1,CI,0 | |
| [I-][Pd-2]([I-])([PH](N1CC1)(N1CC1)N1CC1)[PH](N1CC1)(N1CC1)N1CC1,CI,0 | |
| [O+]#C[Fe+]12(C#[O+])(C#[O+])[P-]3(c4ccccc4)c4ccccc4[P-]1(c1ccccc1)[Fe+]32(C#[O+])(C#[O+])C#[O+],CI,0 | |
| Oc1ccccc1C=Cc1csnn1,CI,0 | |
| CC(=NNC(=O)c1ccccc1O)C1=CNc2ccccc2S1,CI,0 | |
| Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1nc2ccccc2o1,CI,0 | |
| CCc1cccc(C)c1NC(=O)CCc1nnc(SC)o1,CI,0 | |
| CCc1cccc(C(C)C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=O)C1=O,CI,0 | |
| CC(=NNC(=O)C(N)=O)C1=C(C)Nc2ccccc2S1,CI,0 | |
| CCOC(=O)C1(c2ccccc2)CCC(=O)CC1,CI,0 | |
| CCOC(=O)C1(c2ccccc2)CCCNCC1,CI,0 | |
| O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc2ccccc12,CI,0 | |
| CCOc1ccc(NC(=O)C(=O)CC(=O)C2=C(C)Nc3ccccc3S2)cc1,CI,0 | |
| C(=Cc1csnn1)c1cccnc1,CI,0 | |
| Nc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)cc1,CI,0 | |
| Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c1ccc(Cl)cc1,CI,0 | |
| Cc1nnc(NN=C2C(=O)Nc3c(Cl)cc(Cl)cc32)n1N,CI,0 | |
| Nn1c(NN=C2C(=O)Nc3c(Cl)cc(Cl)cc32)n[nH]c1=S,CI,0 | |
| CCc1cccc(CC)c1NC(=O)C(=O)Cc1nc2ccccc2o1,CI,0 | |
| CCc1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2o1,CI,0 | |
| COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3N1CC2,CI,0 | |
| O=C(c1cccc(C(=O)N(c2ccccc2)c2ccccc2)n1)N(c1ccccc1)c1ccccc1,CI,0 | |
| CCOC(=O)C(=O)Nc1ccccc1C(F)(F)F,CI,0 | |
| O=[N+]([O-])c1cc(-c2nc(=S)[nH][nH]2)ccc1O,CI,0 | |
| CCOC(=O)C(=O)Nc1c(CC)cccc1C(C)CC,CI,0 | |
| CC(C)=CCCC(C)=CCN1Cc2cccc3[nH]c(=S)n(c23)CC1C,CI,0 | |
| CC(C)(C)OC(=O)NC(Cc1ccccc1)CN1CCCC1C(=O)OCc1ccccc1,CI,0 | |
| CC(C=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,CI,0 | |
| CCN(CC)c1ccc(N=Nc2ccc(-c3nc4cccn(C)c-4n3)cc2)cc1.I,CI,0 | |
| Cc1cccc(C(C)(C)C)c1NC(=O)CCc1n[nH]c(=S)o1,CI,0 | |
| CCCCCCN(N)C(=O)CC#N,CI,0 | |
| O=C(NNC(=O)c1cc(C=Cc2cccc([N+](=O)[O-])c2)nc(S)n1)Nc1ccc(Cl)cc1,CI,0 | |
| N#CC(C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1,CI,0 | |
| C#CCN(N=O)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0 | |
| CC1(C)C(CO)C(CO)C1n1cnc2c(N)ncnc21,CI,0 | |
| Cc1cc(O)nc(CNC(=O)Cc2ccccc2)n1,CI,0 | |
| CC1(c2cccc([N+](=O)[O-])c2)C(C#N)C(=O)NC(=O)C1C#N,CI,0 | |
| CC1(c2ccccc2Cl)C(C#N)C(=O)NC(=O)C1C#N,CI,0 | |
| O=C1[OH+][Cu-5]234([O+]=C(c5ccco5)C=[N+]2c2ccccc21)[O+]=C(c1ccco1)C=[N+]3c1ccccc1C(=O)[OH+]4,CI,0 | |
| O=[N+]([O-])c1ccc(C(Cl)C(Cl)c2ccc(C(Cl)C(Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1,CI,0 | |
| O=C1OC(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c65)-c3c(cc(O)c(O)c3O)C(=O)OCC2O)C2OC(=O)c3c(c(O)c(O)c(O)c3C2O)-c2c1cc(O)c(O)c2O,CA,1 | |
| O=C1C2CN(Cc3ccccc3)CC1CN(Cc1ccccc1)C2,CI,0 | |
| Cl.O=C1C(=Cc2ccccc2)CN(C(=O)CCN2CCOCC2)CC1=Cc1ccccc1,CI,0 | |
| C=CC1(c2ccccc2Cl)NC(=COCC)CO1,CI,0 | |
| O=C(Sc1nnnn1-c1ccccc1)Sc1nnnn1-c1ccccc1,CM,1 | |
| C=CCn1c(=O)c(C(=O)NC(=O)OCC)cn(C2CCCCC2)c1=O,CI,0 | |
| S=C(NN=Cc1ccccc1)Nc1ccc(Oc2ccc(NC(=S)NN=Cc3ccccc3)cc2)cc1,CI,0 | |
| O=C(O)c1c2c(cc3c(=O)c4ccccc4[nH]c13)CCCC2,CI,0 | |
| Cc1cc2c(=O)cc(-c3ccncc3)oc2c(C(=O)O)c1C,CI,0 | |
| CCC12CCC(=O)N3CCC4(C(=C(C(=O)OC)C1)Nc1ccccc14)C32,CI,0 | |
| CCOC(=O)NC(=O)c1cn(CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCn2cc(C(=O)NC(=O)OCC)c(=O)n(C)c2=O)c(=O)n(C)c1=O,CI,0 | |
| O=C(Nc1nc(S)c2c(ncn2CCOC(=O)c2ccccc2)n1)c1ccccc1,CI,0 | |
| Nc1nc(S)c2c(ncn2CCO)n1,CI,0 | |
| Nc1nc(O)c2c(ncn2CC(O)CO)n1,CI,0 | |
| O=c1nc(NC2CCCCO2)ccn1CCO,CI,0 | |
| Nc1nc(O)c(N=O)c(NCCO)n1,CI,0 | |
| CC1CC2=C(C(=O)O1)C(c1ccccc1)Nc1ccccc1N2,CI,0 | |
| CCOC(=O)N1CCN(P(=O)(Nc2ccc3[nH]c(NC(=O)OC)nc3c2)Oc2ccccc2)CC1,CI,0 | |
| CC(=NNC(=O)C(N)=O)C(CC(C(=O)Nc1ccccc1C)C(C)=NNC(=O)C(N)=O)C(=O)Nc1ccccc1C,CI,0 | |
| CC1=C(C(=O)Nc2cccc(Cl)c2)C(c2ccccc2O)C(C(=O)Nc2cccc(Cl)c2)=C(C)N1,CI,0 | |
| CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1cccc([N+](=O)[O-])c1,CI,0 | |
| CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccccc2O)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1,CI,0 | |
| COC1N(C2CC(N=[N+]=[NH2+])C(CO)O2)C(=O)NC(=O)C1(C)I,CA,1 | |
| COC1N(C2C=CC(CO)O2)C(=O)NC(=O)C1(C)Br,CI,0 | |
| COC1N(C2C=CC(CO)O2)C(=O)NC(=O)C1(C)Cl,CM,1 | |
| Cc1nc(Nc2ccccc2)sc1C(=O)CC(=O)C(=O)NC1C2CC3CC(C2)CC1C3,CI,0 | |
| CCOC(=O)C(=O)NNc1nc2c(s1)C(=O)c1ccccc1C2=O,CI,0 | |
| O=C(Cc1nc2ccccc2s1)C(=O)Nc1ccccc1C(F)(F)F,CI,0 | |
| CC1=C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)C(c2ccco2)C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)=C(C)N1,CI,0 | |
| CC1=C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)=C(C)N1,CI,0 | |
| CCOc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(OCC)cc3)C2c2ccc([N+](=O)[O-])cc2)cc1,CI,0 | |
| CCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1O,CI,0 | |
| CC1=C(C(=O)Nc2c(C)cccc2C)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2c(C)cccc2C)=C(C)N1,CI,0 | |
| CC(=O)C=Cc1ccc(C2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)cc1,CI,0 | |
| COc1cccc(C2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)c1O,CI,0 | |
| O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O,CI,0 | |
| O=C1C=C(Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccccc2C1=O,CI,0 | |
| NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1,CI,0 | |
| O=C1C=C(Nc2ccccc2C(=O)c2ccccc2)c2ccccc2C1=O,CI,0 | |
| Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1,CI,0 | |
| O=C1C=C(Nc2cccnc2)c2ccccc2C1=O,CI,0 | |
| O=C1C=C(NCCc2ccccc2)c2ccccc2C1=O,CI,0 | |
| CCOc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1,CI,0 | |
| O=C1C=C(Nc2ccc(Br)cc2)c2ccccc2C1=O,CI,0 | |
| CC1=[N+]2[N-]C(N)=[S+][Ga-3]234([S+]=C(N)[N-][N+]3=C(C)c2cccc[n+]24)[n+]2ccccc21.[Cl-],CI,0 | |
| CCN(CC)CCCC(C)Nc1c(Sc2cnc3cc(Cl)ccc3c2NC(C)CCCN(CC)CC)cnc2cc(Cl)ccc12.Cl,CI,0 | |
| C=C1CC2(OC1=O)c1ccccc1CCc1ccccc12,CI,0 | |
| NC(=O)Cn1c(=O)[nH]c(=O)c2[nH]cnc21,CI,0 | |
| O=C(O)Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1,CI,0 | |
| Cn1c(=O)c2[nH]cnc2n(CC(N)=O)c1=O,CI,0 | |
| CCOC(=O)C1=C(C)N(NC(=O)c2ccccc2)C2(O)CCCC12C(=O)OCC,CI,0 | |
| N#CCCN(CCC#N)c1ccc(C=C2N=C(CN3C(=O)c4ccccc4C3=O)OC2=O)cc1,CI,0 | |
| COc1cccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)c1,CI,0 | |
| CCSc1nc2n(c(=S)n1)CCN2C.I,CI,0 | |
| O=C(COc1ccc(Br)cc1Br)N1N=C(c2ccc([N+](=O)[O-])o2)CC1(O)c1ccccc1,CI,0 | |
| O=C(COc1ccccc1Cl)N1N=C(c2ccccc2)CC1(O)c1ccccc1,CI,0 | |
| Cc1ccc(OCC(=O)N2N=C(c3ccccc3)CC2(O)c2ccccc2)cc1,CI,0 | |
| O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)CC1(O)c1ccccc1,CI,0 | |
| O=C(COc1ccccc1Cl)N1N=C(c2ccc(Cl)cc2)CC1(O)c1ccccc1,CI,0 | |
| O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1,CI,0 | |
| CN(C)c1ccc(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1,CI,0 | |
| COc1ccc(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1,CI,0 | |
| O=C(C(=Cc1ccccc1)C(=O)c1ccccc1)c1ccccc1,CI,0 | |
| CCCCNc1nc(C#N)c(N)s1,CI,0 | |
| COc1ccc(Nc2nc(C#N)c(N)s2)cc1,CI,0 | |
| N#Cc1nc(Nc2ccc(Cl)cc2)sc1N,CI,0 | |
| CC(=O)OC1C(C)CC2C(C)COC3(C)CCC=C(C)CC4OC3C2C41,CI,0 | |
| C=C(C=NN(C)C)CC1c2c(O)ccc3cccc(c23)N1S(=O)(=O)c1ccc(C)cc1,CI,0 | |
| COC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)OC)cc3)cc2)cc1,CI,0 | |
| CC(C)COC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)OCC(C)C)cc3)cc2)cc1,CI,0 | |
| CCC(C)COC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)OCC(C)CC)cc3)cc2)cc1,CI,0 | |
| COc1cccc2c1[OH+][Ni-2]1([O+]=C2)[O+]=Cc2cccc(OC)c2[OH+]1,CI,0 | |
| COc1cccc2c1[OH+][Ni-3]1(O)([n+]3ccccc3)[S+]=C(N)[N-][N+]1=C2,CI,0 | |
| COc1cccc2c1[OH+][Mn+2]1(O)[O+]=C(c3ccncc3)[N-][N+]1=C2,CI,0 | |
| COc1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1-c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1OC.[NaH],CM,1 | |
| Nc1cc(N)c(N=Nc2ccc(CCc3ccc(N=Nc4c(N)cc(N)cc4C(=O)O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(C(=O)O)c1.[NaH],CI,0 | |
| O=C(O)c1cc(N=Nc2ccc(CCc3ccc(N=Nc4cc(C(=O)O)c(O)c5ccccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2ccccc2c1O.[NaH],CI,0 | |
| CN1C(=O)NC2(O)c3ccccc3C(=O)C12O,CI,0 | |
| O=C1c2ccccc2C(=O)C1(O)c1c[nH]c2ccccc12,CI,0 | |
| CN(C)CCCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21.Cl,CI,0 | |
| Cl.O=c1oc2c3ccc4ccccc4c3n(CCCN3CCCCC3)c2c2ccccc12,CI,0 | |
| Cl.O=c1oc2c3ccc4ccccc4c3n(CCN3CCOCC3)c2c2ccccc12,CI,0 | |
| CCN(CC)CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21.Cl,CI,0 | |
| CC(C)N(CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21)C(C)C.Cl,CI,0 | |
| N#CC(=Cc1ccc2ccccc2c1)c1ccccc1,CI,0 | |
| CC(=O)CC[N+](C)(C)C.[I-],CI,0 | |
| CN1C(=O)C(C)(O)c2ccccc21,CI,0 | |
| CC1(C)CC2C(O)C(CO)=C3CC(O)C3(C)C2C1,CI,0 | |
| COC(=O)C1=CC2C(=O)OC1CC2C#N,CI,0 | |
| COc1ccc2c(=O)c(C)c(C=Cc3ccco3)oc2c1,CI,0 | |
| CCCCNCc1cc(S(=O)(=O)N2CCCCC2)c2cccnc2c1O,CI,0 | |
| CNc1ccc2ncccc2c1[N+](=O)[O-],CI,0 | |
| CC(C)C1=CC23CCC4C(C)(C)CCCC4(C(=O)O2)C3=CC1=O,CI,0 | |
| CC(=O)NN1C(=O)C(Cc2ccccc2)c2ccccc21,CI,0 | |
| CC1(C)C2CCC13CS(=O)(=O)N(C(=O)C1CC=CCC1)C3C2,CI,0 | |
| CCOC(=O)NC1C2CC(=O)C(O2)C1OCc1ccccc1,CI,0 | |
| CC(C)(C)OC(=O)N1N=NC2C1C1CC(OCc3ccccc3)(OCc3ccccc3)C2O1,CI,0 | |
| O=C(OCc1ccccc1)N1N=NC2C3CC(OCc4ccccc4)(OCc4ccccc4)C(O3)C21,CI,0 | |
| CC(=O)OCC1OC(n2c(=O)n(-c3ccccc3)c(=O)c3cc(Br)cc(Br)c32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)N(CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O)CCn1cnc2nc(NC(=O)c3ccccc3)nc(O)c21,CI,0 | |
| COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)N(CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O)CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O,CI,0 | |
| CCCC(=O)OC1C(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C1OC(=O)CCC,CI,0 | |
| Brc1ccccc2cc(-c3ccccc3)nc1-2,CI,0 | |
| CC1(c2ccccc2)CC(c2cccc([N+](=O)[O-])c2)=NO1,CI,0 | |
| Clc1ccc(C2=NOC(C3CCCCC3)C2)cc1,CI,0 | |
| O=C1CNNC(Cn2nc(-c3ccccc3)c3ccccc3c2=O)=N1,CI,0 | |
| CN1CCCNC(=S)C1,CI,0 | |
| CN1CCCn2c(nc3ccccc3c2=O)C1,CI,0 | |
| CCCCCCCCCCCCCCCCCCOP(O)(=[OH+])OC1CC[N+](C)(C)CC1,CI,0 | |
| CN1C(=O)CC2(C)c3cc(O)cc(Br)c3N(C)C12,CI,0 | |
| Cc1cccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2cc([N+](=O)[O-])ccc2Cl)c1,CI,0 | |
| Cc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1,CI,0 | |
| COc1ccccc1N1C(=O)C(=Cc2ccc(N(CCC#N)CCC#N)cc2C)N=C1c1cc([N+](=O)[O-])ccc1Cl,CI,0 | |
| COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1,CI,0 | |
| CC[n+]1c(C=Cc2ccc(N(CCCl)CCCl)cc2)ccc2cc(NC(=O)C=Cc3ccccc3)ccc21.[I-],CI,0 | |
| CN(C)CCNC(=O)c1cnn(C)c1[N+](=O)[O-].Cl,CI,0 | |
| CNS(=O)(=O)NN(C)S(=O)(=O)c1ccc(Cl)cc1,CI,0 | |
| O=C1C2ON(c3ccccc3)C(c3ccc([N+](=O)[O-])cc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccc([N+](=O)[O-])cc5)C4C3=O)cc2)cc1,CI,0 | |
| N=C1OC(c2ccc3c(c2)OCO3)C(NNS(=O)(=O)c2ccccc2)=C1O,CI,0 | |
| Cc1nc(C)c(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1C(=O)Nc1cccc2c1C(=O)NC2=O,CI,0 | |
| CCOC(=O)Cc1nc(O)c2c3c(sc2n1)CCCC3,CI,0 | |
| C[N+](C)(C)CC1CCC(C[N+](C)(C)C)C1=NO.[I-],CI,0 | |
| CC1CCC2(C(=O)O)CCC3(COC(=O)C=Cc4ccc(O)cc4)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C,CI,0 | |
| CC1CCC2(NC1)OC1CC3C4CC=C5C=CCCC5(C)C4CCC3(C)C1C2C,CI,0 | |
| Cc1nccc2c1[nH]c1cc(O)ccc12.Cl,CI,0 | |
| OCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1,CI,0 | |
| Cc1nc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)C=Cc1ccccc1[N+](=O)[O-],CI,0 | |
| CCOc1ccc(Nc2nc(C)c(C(=O)C=Cc3ccc(Cl)cc3Cl)s2)cc1,CI,0 | |
| Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(=O)C=Cc1ccc(N(C)C)cc1,CI,0 | |
| COc1ccc(C=CC(=O)c2sc(NC(=S)NC(=O)c3ccccc3F)nc2C)cc1OC,CI,0 | |
| Cc1nc(NC(=O)CCCCCCCCC(=O)Nc2nc(C)c(C(=O)C=Cc3ccc(C=CC(=O)c4sc(=N)[nH]c4C)cc3)s2)sc1C(=O)C=Cc1ccc(C=CC(=O)c2sc(=N)[nH]c2C)cc1,CI,0 | |
| O=C(O)Cn1ccc(=O)c2ccc([N+](=O)[O-])cc21.[NaH],CI,0 | |
| Cc1ccc(N=NC(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1,CI,0 | |
| N#CCCN(CCC#N)c1ccc(C(Sc2ccccc2)C(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)Sc2ccccc2)cc1,CI,0 | |
| CCOc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1,CI,0 | |
| COc1ccccc1N=NC(C(=O)c1ccccc1)C(=O)c1ccccc1,CI,0 | |
| CCCCC(C)CCC(O)=C1C(=O)OC(CC(=O)O)C1=O,CI,0 | |
| CCCCC(C)CCCC1=C(O)C(CC(=O)O)OC1=O,CI,0 | |
| CCCCC(C)CCCC1=C(O)C(=CC(=O)O)OC1=O,CM,1 | |
| CCC1=CCN(c2ccccn2)OC1c1ccc(OC)cc1,CI,0 | |
| O=C(NO)C12C3C4C1C1C2C3C41C(=O)NO,CI,0 | |
| COC1=CC(=O)C(O)=C(CC2(C)C(C)CC=C3C2CCCC3(C)C)C1=O,CI,0 | |
| O=C1NC(=O)c2c1n(Cc1ccccc1)c(=O)n2Cc1ccccc1,CI,0 | |
| CCOC(=O)c1cn(Cc2ccccc2)c(=O)n1Cc1ccccc1,CI,0 | |
| CCNc1c(C(=O)N(CC)CC)c(O)nc2ncccc12,CI,0 | |
| C1=NN(Cc2ccccc2)C(N(Cc2ccccc2)Cc2ccccc2)N1,CI,0 | |
| Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1C=Nc1ccc(C(=O)O)cc1,CI,0 | |
| CC12CCc3ccccc3C1=NNC(=O)C2,CI,0 | |
| O=C1c2c(O)cccc2C(C(=O)CCCCCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)c2cccc(O)c21,CI,0 | |
| O=[N+]([O-])c1ccc(C2=Nc3ccccc3SC(c3ccccc3)C2)cc1,CI,0 | |
| O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2C1=O,CI,0 | |
| N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1nc(=N)[nH][nH]1,CI,0 | |
| CN(C)CCCn1nnc2cccc3cccc1c32.Cl,CI,0 | |
| CC(=O)OC1C(OC2CCC34OC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(OC3OC(CO)C(O)C(O)C3O)C4C2(C)C)OCC(O)C1O,CA,1 | |
| CCCCN(CC)C(=O)C(=O)C1C(=O)Nc2ccccc2S1=O,CI,0 | |
| COC(=O)C(CC(C)=O)CS(=O)(=O)CC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1,CI,0 | |
| CC(=O)c1ccc(NC(=O)C(CC(=O)c2sc(-c3cccnc3)nc2C)=NNC(N)=O)cc1,CI,0 | |
| COc1ccc(NC(=O)C(=O)NNC(=O)c2sc(NNC(C)=O)nc2C)c([N+](=O)[O-])c1,CI,0 | |
| CNN=C(Cc1occc(=O)c1O)C(=O)Nc1ccc(C)c(C)c1,CI,0 | |
| O=C(O)C1CCCCC1C(=O)N(C1CCCCC1)C1CCCCC1,CI,0 | |
| CC(C)C(OC(=O)c1cc(NC(=S)c2ccccc2)ccc1Cl)C(C)C,CA,1 | |
| CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC.[NaH],CI,0 | |
| CC1(C)CC2=C(CC3C4C=C5CC(C)(C)OC(=O)C5(C4)C23)C(=O)O1,CI,0 | |
| CCCCCCNC(=O)CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CI,0 | |
| CCOP(=O)(OCC)OC(C#N)c1ccc(-c2ccccc2)cc1,CI,0 | |
| Cc1cc(C)nc(C(=NNC(N)=O)C(=O)Nc2nc3ccc(C)cc3s2)c1,CI,0 | |
| COC(=O)CCC(=O)CC(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl,CI,0 | |
| COC(=O)C(=O)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc(Cl)cc1C,CI,0 | |
| CC(C)(C)NN=C(C(=O)Nc1nc(=S)[nH][nH]1)C1C(=O)Nc2ccccc2S1=O,CI,0 | |
| Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C,CI,0 | |
| COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccccc2nc1O,CI,0 | |
| CC1(C)CC(=O)C(C(=NNC(=S)NN)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)C(=O)C1,CI,0 | |
| NNC(=S)NN=C(C(=O)Nc1cc(Cl)ccc1Cl)C1C(=O)Nc2ccccc2S1=O,CI,0 | |
| COc1ccc(CNc2nc3c(NC(C)=O)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC,CI,0 | |
| O=C(O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1)C(=O)O,CI,0 | |
| Cl.OC(Cc1ccc2ccccc2c1)CN1CCC(c2ccccc2)CC1,CI,0 | |
| N#CCCN(CCC#N)c1ccc(C=C2N=C(c3cc([N+](=O)[O-])ccc3Cl)N(NC(=O)CC(=O)Nc3ccccc3Cl)C2=O)cc1,CI,0 | |
| N#CCCN(CCC#N)c1ccc(C=C2N=C(c3cc([N+](=O)[O-])ccc3Cl)N(S(=O)(=O)c3ccccc3)C2=O)cc1,CI,0 | |
| O=[N+]([O-])c1cccc([N+](=O)[O-])c1S(=O)(=O)c1ccccc1,CI,0 | |
| Br.CCN1CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1,CI,0 | |
| Br.CCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1,CI,0 | |
| CC(=O)OC1(C)CC(OC(=O)C=C(C)C)C2C(OC(=O)C2(C)OC(C)=O)C2C(C)=CC(O)C21,CI,0 | |
| O=C(C[n+]1ccccc1)NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1.[Cl-],CI,0 | |
| O=C(NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(Cl)cc1Cl)c1ccncc1,CI,0 | |
| Cc1cc(-n2nnnc2-c2ccc([N+](=O)[O-])cc2)no1,CI,0 | |
| Cc1noc2c1N=C(c1cccs1)CC(c1c(Cl)cccc1Cl)C2,CI,0 | |
| CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O,CI,0 | |
| CCOC(=O)C1Nc2c(cccc2[N+](=O)[O-])C2c3ccccc3CC12,CI,0 | |
| CCOC(=O)c1nc2ccc(OC)cc2c2c1Cc1ccccc1-2,CI,0 | |
| CC(=O)Oc1c(Br)ccc2cc(C(Br)Br)c(C(=O)c3ccccc3)nc12,CI,0 | |
| O=S(=O)(CC1=NC2C=CC=CC2N=C1)NCc1ccccc1,CI,0 | |
| CCOC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])o1,CI,0 | |
| CCOC(=O)C(=Cc1ccncc1)C(=O)c1ccccc1,CI,0 | |
| CN(C)c1ccc(C=CC2=[O+][Cu-3]3([O+]=C(C=Cc4ccc(N(C)C)cc4)[OH+]3)[OH+]2)cc1,CI,0 | |
| N#CC1CCCCC1NC1(C#N)CCCCC1,CI,0 | |
| Cl.O=C1Nc2ccccc2C12CCNC2Cc1ccccc1,CI,0 | |
| CC(=O)N1CCC2(C=Nc3ccccc32)CC1,CI,0 | |
| CC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)O,CI,0 | |
| Cl.NCCCNCCCCNCCCNCc1c2ccccc2c(CNCCCNCCCCNCCCN)c2ccccc12,CI,0 | |
| Cc1cc(N(CCC#N)CCC#N)ccc1C=C(N=[N+]=[N-])C(=O)NC(=O)COc1ccccc1,CI,0 | |
| N.O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O,CI,0 | |
| N.O=C(O)C1=CC=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C1=O,CI,0 | |
| COc1ccc(N2C(=O)C(=C(C)c3cc4ccccc4oc3=O)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1,CI,0 | |
| C[Si](C)(C)C#CC(CO)=C(C#C[Si](C)(C)C)CO,CI,0 | |
| CCOC(=O)C1=C(C)N(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(=S)NC1c1ccccc1,CI,0 | |
| O=C1CCCCCCCCCCC(=O)N2CCOCCOCCN1Cc1cccc(n1)C2,CI,0 | |
| Cc1ccc(C=CC(=O)C(C)(C)CN2CCCCC2)cc1.Cl,CI,0 | |
| C=CCN(N=O)C(=O)N(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1,CI,0 | |
| O=C(Cn1ccnc1[N+](=O)[O-])c1ccc(F)cc1,CI,0 | |
| CN(C)CCNC(=O)c1cccc2c1Oc1c(cccc1[N+](=O)[O-])O2.Cl,CI,0 | |
| Nc1nc(NC2C3CC4CC(C3)CC2C4)nc(-c2n[nH]c(=S)o2)n1,CI,0 | |
| CC(C)N1CC2CC(CN(C(=O)c3ccc(Cl)cc3)C2)C1,CI,0 | |
| COc1cc(CO)c(-c2c(CO)cc(OC)c(OC)c2OC)c(OC)c1OC,CI,0 | |
| O=CCC1CCc2ccccc2C12CCC(=O)CC2,CI,0 | |
| COC1(C)CC2N(C(=O)c3ccccc3)N=C(c3ccccc3)CC2(C)O1,CI,0 | |
| CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1,CI,0 | |
| NCCCOc1ccc(-c2c3ccc(cc4ccc([nH]4)c(-c4ccc(OCCCN)cc4)c4ccc(cc5ccc2[nH]5)n4)n3)cc1,CI,0 | |
| CS(=O)(=O)N(N(CCCl)S(=O)(=O)c1ccccc1)S(C)(=O)=O,CI,0 | |
| CCCC(=O)c1ccc(=O)n(C)c1,CI,0 | |
| Cn1cc(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)c1=O,CI,0 | |
| CCOC(=O)Nc1cc2nnc(-c3ccccc3)nc2c(N)n1.Cl,CI,0 | |
| CC1COS(=O)N1c1ccccc1,CI,0 | |
| Cc1cc(C)c(C(=O)C(=Cc2ccccc2)c2ccccc2)c(C)c1,CI,0 | |
| N=c1nc(NC(=O)C2=Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(O)=N2)[nH][nH]1,CI,0 | |
| Cc1cc(Br)cc(C)c1NC(=O)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21,CI,0 | |
| CC(=O)OCCc1cccnc1C=NO,CI,0 | |
| C[CH-][Tl-]1([CH-]C)[O+]=C(C)[CH-]C(C)=[O+]1,CI,0 | |
| Nc1nc(O)c2ncn(COCCO)c2n1,CI,0 | |
| COc1cc2c(cc1OC)C1C(COC(=O)c3ccccc3)CSC(=Nc3ccccc3)N1CC2,CI,0 | |
| O=[N+]([O-])c1ccc(-n2nnc(C3=NCCN3)c2-c2ccccc2)cc1,CI,0 | |
| O=[N+]([O-])c1ccc(-n2nnc(C3=NCCN3)c2-c2ccc(Cl)cc2)cc1,CI,0 | |
| COc1ccc(-c2c(C3=NCCN3)nnn2-c2ccc(Cl)cc2)cc1,CI,0 | |
| Clc1ccc(-n2nnc(C3=NCCN3)c2-c2ccccc2)cc1,CI,0 | |
| Clc1ccc(-c2c(C3=NCCN3)nnn2-c2ccc(Cl)cc2)cc1,CI,0 | |
| COc1ccc(-c2c(C3=NCCN3)nnn2-c2ccccc2)cc1,CI,0 | |
| Clc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccccc2)cc1,CI,0 | |
| CN1CCN=C1c1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1,CI,0 | |
| COC1=CC(=O)NCCN1,CI,0 | |
| O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1,CI,0 | |
| O=C1CCN2CCC(=O)c3c2c(cc2ccccc32)N1,CI,0 | |
| Cc1occc1C(=S)Nc1ccc(Cl)c(C=NOC(C)(C)C)c1,CA,1 | |
| COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc([N+](=O)[O-])cc3C)c2c1,CI,0 | |
| COc1cc2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3Br)c2cc1OC,CI,0 | |
| C[n+]1cc(C(O)c2ccc3c(c2)OCO3)c2ccccc2c1.[I-],CI,0 | |
| COc1cc2cnc3c4cc(OS(=O)(=O)c5ccccc5)ccc4ccc3c2cc1OC,CI,0 | |
| COc1cc2cccc(N=Cc3cccc(OC)c3OC(C)C)c2cc1OC,CI,0 | |
| O=C(O)c1cc(-c2ccccc2O)nc2ccccc12,CI,0 | |
| Cc1ccc(C)c2c1CCc1cc3ccccc3nc1-2,CI,0 | |
| COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CNCC2)OCO3,CI,0 | |
| CCOc1cc2ccc3c4cc(OC)c(OC)cc4cnc3c2cc1OCC,CI,0 | |
| CCOc1cc2c(cnc3c4cc(OC)c(OC)cc4ccc23)cc1OC,CI,0 | |
| CCOc1cc2c(cc1OC)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.[ClH2+],CI,0 | |
| COc1cc(Br)c(C=Nc2cccc3cc(OC)c(OC)cc23)cc1OC,CI,0 | |
| COc1cc2ccc3c4cc(OC)c(OC(C)C)cc4c[n+](C)c3c2cc1OC.[Cl-],CI,0 | |
| COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2C)cc1.[I-],CI,0 | |
| CCOC1c2cc(OC)c(OC)cc2-c2ccc3ccccc3c2N1C,CI,0 | |
| COc1cc2ccc3c4ccccc4cnc3c2cc1OC,CI,0 | |
| COc1cc2cnc3c4cc(OCc5ccccc5)ccc4ccc3c2cc1OC,CI,0 | |
| COC[n+]1cc2cc(OC)c(OC)cc2c2ccc3cc(OC)c(OC)cc3c21.[Cl-],CI,0 | |
| COc1cc(C(=O)Nc2cccc3ccccc23)c(Br)c(OC)c1OC,CI,0 | |
| CCOC(=O)c1cc(-c2ccc(-c3cc(C(=O)OCC)c(C#N)c(N)c3C#N)cc2)c(C#N)c(N)c1C#N,CI,0 | |
| Clc1ccc(SCCCCCCCCCCSc2ccc(Cl)cc2)cc1,CI,0 | |
| COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1,CI,0 | |
| O=C(COc1ccc2c(=O)cc(-c3ccc(Cl)cc3)oc2c1)N1CCN(c2ccccc2)CC1,CI,0 | |
| O=c1c(Cc2ccccc2)c(O)cc2n1CCC2,CI,0 | |
| O=S1(=O)COc2ccccc2-c2ncncc21,CI,0 | |
| COC(=O)c1c2c(c(-c3ccccc3)c3c1-c1nc(Cl)ccc1CC3)CCc1ccc(Cl)nc1-2,CI,0 | |
| CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1,CI,0 | |
| CC(OCc1ccccc1)C(=O)N1CCS(=O)(=O)N2CCCC2C1=O,CI,0 | |
| CC1=CC=NN2C(=O)C(C)C2C1,CI,0 | |
| CC1=NN2C(c3ccc(Cl)cc3)=CSC2=NC(C)(C)C1,CI,0 | |
| CC1=NN2C(c3ccc([N+](=O)[O-])cc3)=CSC2=NC(C)(C)C1,CI,0 | |
| CC1=NN2C(c3ccc(C)cc3)=CSC2=NC(C)(C)C1,CI,0 | |
| COC(=O)c1cc(C)n(NC(=O)OC(C)(C)C)c1C,CI,0 | |
| COc1ccc2c(c1)Oc1cc(O)ccc1C2c1ccccc1C(=O)NC(C)c1ccccc1,CI,0 | |
| Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1C=C1N=C(C=Cc2ccccc2)OC1=O,CI,0 | |
| Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)C(=O)Nc1ccccc1Cl,CI,0 | |
| CSc1nc(O)c2ncc(C(O)C(O)C(O)CO)nc2n1,CI,0 | |
| CC(=O)N(C(C)=O)c1c(N)n(C)c(=O)[nH]c1=O,CI,0 | |
| O=c1c(-c2ccccc2)c(O)[nH]c2nc3ccccc3n12,CI,0 | |
| CC(C)c1ccc2c(c1)CCC1C2(C)CCC(O)C1(C)C,CI,0 | |
| CC(=O)OCC1(C)CCCC2(C)C1CCC1C=C(C)C3CCC12C3,CI,0 | |
| N#CC12C3C4CC5C6C4C1C6C(O)(C53)N2Cc1ccccc1,CI,0 | |
| O=C1NC(Cc2ccccc2)C(=O)N2CCCC12,CI,0 | |
| O=C1NC(Cc2ccc(O)cc2)C(=O)N2CCCC12,CI,0 | |
| Fc1cccc(F)c1C1SCc2nc3ncccc3n21,CI,0 | |
| Oc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0 | |
| Oc1ccccc1C1SCc2nc3ccccc3n21,CI,0 | |
| CC(C)(C)C1=NOC2C(NC(=O)c3ccccc3)CCC12,CI,0 | |
| CC(O)CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| CC(CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CI,0 | |
| COC(=O)C1(C)C(=NNS(=O)(=O)c2ccc(C)cc2)CCCC1C,CI,0 | |
| CCOC(=O)COS(=O)(=O)C(F)(F)F,CI,0 | |
| CCOC(OC1=C(C#N)CCC1)C(C)[Se]c1ccccc1,CM,1 | |
| CCOC(=O)C1=C(OC(OCC)C(C)[Se]c2ccccc2)CCC1,CM,1 | |
| CCOC(=O)C1=C(OC(OCC)C(CC)[Se]c2ccccc2)CCC1,CI,0 | |
| CCOC(=O)C1=C(OC(OCC)C([Se]c2ccccc2)C(C)C)CCC1,CI,0 | |
| CCOC(=O)C1=C(OC(OCC)C(CC)[Se]c2ccccc2)CCCC1,CI,0 | |
| CCOC=CC(C)C1(C(=O)OCC)CCCCC1=O,CI,0 | |
| CC1=CCC2(C#N)CCC1C2=O,CI,0 | |
| BrC1=CC2C(C3C=CC2(Br)C32OCCO2)C12OCCO2,CI,0 | |
| CC(C)(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1,CI,0 | |
| CC(C)(c1ccccc1)c1ccc(Oc2ccc3c4nc5nc(nc6nc(nc7nc(nc(n4)c3c2)c2ccc(Oc3ccc(C(C)(C)c4ccccc4)cc3)cc72)c2ccc(Oc3ccc(C(C)(C)c4ccccc4)cc3)cc62)c2cc(Oc3ccc(C(C)(C)c4ccccc4)cc3)ccc52)cc1,CI,0 | |
| CC(C)(C)COc1ccc2c3nc4nc(nc5nc(nc6nc(nc(n3)c2c1)c1ccc(OCC(C)(C)C)cc61)c1ccc(OCC(C)(C)C)cc51)c1cc(OCC(C)(C)C)ccc41,CI,0 | |
| O=C(NC1CCCCC1)NC12CC3CC(CC(F)(C3)C1)C2,CI,0 | |
| Cc1ccc(NC(=O)C(=O)Cc2cccc[n+]2[O-])cc1C,CI,0 | |
| Cc1cccc(NC(=O)C(=NNC(C)(C)C)C2NC(=S)NC2=O)c1C,CI,0 | |
| COc1cccc(NC(=O)C(CC(=O)CC(c2ccccc2)c2c(O)c3ccccc3oc2=O)=NNC(C)(C)C)c1OC,CI,0 | |
| CCc1ccc(Cc2ccc(CC)c(NC(=O)C(=O)C3NC(=S)NC3=O)c2CC)c(CC)c1NC(=O)C(=O)C1NC(=S)NC1=O,CI,0 | |
| NC(=O)c1cc(N(CCO)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-],CI,0 | |
| CC1(Cl)C(=O)NC(=O)N(C2CC(N=[N+]=[N-])C(CO)O2)C1N=[N+]=[N-],CA,1 | |
| Cn1ccc(=NS(=O)(=O)c2ccccc2)cc1,CI,0 | |
| O=P(O)(OCC(O)O)OCC(O)O,CI,0 | |
| Cl.N=c1n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2n1Cc1ccc(Cl)cc1,CI,0 | |
| CC(=O)NC1C(OCc2ccccc2)OC(COC(=O)CCCCCCCCCCNC(=O)CCNc2ccc([N+](=O)[O-])c3[nH]c4ccc(O)cc4c(=O)c23)C(O)C1OC(C)C(=O)NC(C(=O)NC(CCC(=O)O)C(N)=O)C(C)C,CI,0 | |
| COc1cc(C)cc(C(=O)OCc2ccccc2)c1C1=C(Cl)C(=O)C(Cl)=CC1=O,CI,0 | |
| CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C1CCC2=C(Sc3ccccc3N2)C1=O,CI,0 | |
| CNN=C(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1NC(=O)NC1=O,CI,0 | |
| Cc1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C,CI,0 | |
| COC(=O)C(C(=NNC(N)=O)C(=O)Nc1c(C)cccc1C(C)(C)C)c1nc2ccc(Cl)cc2nc1O,CI,0 | |
| O=C(Nc1ccc(Cl)cc1Cl)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O,CI,0 | |
| COC(=O)C(Cc1nc2ccccc2nc1O)C(=O)C(=O)Nc1ccc(F)cc1,CI,0 | |
| NC(=O)NN=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-],CI,0 | |
| COC(=O)C(=NNC(C)(C)C)C(C(=O)OC)C(=O)C(=O)Nc1cc(Cl)ccc1Cl,CI,0 | |
| Cc1ccc(S(=O)(=O)NN=C(c2nc3ccc([N+](=O)[O-])cc3nc2O)C(O)c2ccccc2Cl)cc1,CI,0 | |
| C(C=CN1CCCC1)=Cc1nc(N2CCCC2)c2ccccc2n1,CI,0 | |
| O=C(OC1CCC(=C2SCCCS2)C1C1SCCCS1)c1ccccc1,CI,0 | |
| CN1N=C(Nc2ccccc2)Sc2c1cnn(-c1ccccc1)c2=O,CI,0 | |
| COc1ccc(NC(=O)C(=O)c2c(O)c3ccc(O)cc3oc2=O)c([N+](=O)[O-])c1,CI,0 | |
| CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0 | |
| Nc1ccccc1C(=O)CCC1C(=O)NC(=S)NC1=O,CI,0 | |
| Cc1cccc(C(C)C)c1NC(=O)C(Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-])=NNC(=O)CC#N,CI,0 | |
| CC(C)c1cccc(C(C)C)c1NC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)=NNC(=O)C[N+](C)(C)C.[Cl-],CI,0 | |
| O=C(CC(=NNC(=O)C[n+]1ccccc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.[Cl-],CI,0 | |
| COc1ccc2c(c1)C(=O)C13CC(C(=O)O)C(OC(C)=O)(CCC21)C3,CI,0 | |
| O=Cc1cc2c(cc1-c1c(C=O)ccc3c1OCO3)OCO2,CI,0 | |
| CCOC(=O)C1NCCc2c1[nH]c1ccccc21.Cl,CI,0 | |
| COC(=O)c1ccc(CN2CCc3c([nH]c4ccccc34)C2CO)o1,CI,0 | |
| CCOC(=O)C1c2[nH]c3ccccc3c2CCN1C(=O)c1ccco1,CI,0 | |
| COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2C(=O)O)o1,CI,0 | |
| COc1cc2c(o1)C(=O)N1CCc3c([nH]c4ccccc34)C21,CI,0 | |
| COC(=O)C1=C(C(=O)OC)C2(OC(C)=O)c3ccccc3-c3ccccc3C12,CI,0 | |
| COC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2C(=O)O,CI,0 | |
| CC(=O)OC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2C(=O)O,CI,0 | |
| CC(=O)OC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2(Cl)C(=O)O,CI,0 | |
| COC(=O)C1C(C(=O)OC)C2(OC)c3ccccc3-c3ccccc3C12,CI,0 | |
| CC(=O)C(CN(C)Cc1ccccc1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0 | |
| CC(=O)C(CN(Cc1ccccc1)Cc1ccccc1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0 | |
| CC(=NN(C)C)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0 | |
| Cl.N=S(c1ccccc1)c1ccccc1[N+](=O)[O-],CI,0 | |
| CC=C1CN(C)CC2(C(=O)OC)Cc3c(n(OC)c4ccccc34)C(=O)CC12,CI,0 | |
| CC(=O)OCC12CC(CC1OC(C)=O)c1ccccc12,CI,0 | |
| Cl.O=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0 | |
| CC(=NNC(N)=O)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0 | |
| CC(=O)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl,CI,0 | |
| COc1ccc(C(CC2OC(=O)c3ccccc32)=NNC(=O)C[N+](C)(C)C)cc1.[Cl-],CI,0 | |
| COC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(C)Br,CA,1 | |
| CCOC1N(C2C=CC(CO)O2)C(=O)NC(=O)C1(C)Br,CI,0 | |
| COc1ccc(CCN(C)C2CCC(C#N)(c3ccc(OC)c(OC)c3)CC2)cc1OC.Cl,CI,0 | |
| CC(=O)CN(Cc1cc(C)c2c(c1)c1ccccc1n2Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1,CI,0 | |
| CN(C)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1,CI,0 | |
| COC(=O)c1ccc(Cc2ccc(C(=O)OC)o2)o1,CI,0 | |
| COc1cc(C=O)c(-c2cc3c(cc2C=O)OCO3)c(OC)c1OC,CI,0 | |
| CCCCCCCCCCCCCCCCCCOCC(C[N+]1(C)CCC(O)CC1)OCC.[Br-],CI,0 | |
| COC12CCC(C(C(=O)c3ccccc3)=C1C(=O)c1ccccc1)C(O)C2,CI,0 | |
| COC(=O)C(C(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC,CI,0 | |
| Cn1c(C2CCCc3c2c2ccccc2n3C)cc2ccccc21,CI,0 | |
| COC(=O)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| C=C1CN2CCc3c([nH]c4ccccc34)C2CC1CC(=O)N(C)C,CI,0 | |
| COC(=O)CC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-],CI,0 | |
| O=C(c1ccccc1)C1S(=O)(=O)OCCOS1(=O)=O,CI,0 | |
| C=C1C(=O)C=C2C=C3C(=O)C(C)(C)CC3(O)C12C,CI,0 | |
| CC(C)C(OC(=O)c1cc(NC(=S)c2cccn2C)ccc1Cl)C(C)C,CA,1 | |
| CC(C)(C)OC(=O)NC1CC(=O)c2ccccc2N(CC(=O)O)C1=O,CI,0 | |
| COc1cc2cc(OC)c3cc4c(cc3c2c(OC)c1OC)OCO4,CI,0 | |
| Sc1nc(S)c2nc(Nc3ccccc3)sc2n1,CI,0 | |
| COCOC1C(=O)N(c2ccccc2)C1c1ccccc1,CI,0 | |
| CCCOS(=NS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-],CI,0 | |
| CCOC(=O)C(C(=O)c1ccccc1-c1ccccc1C(=O)O)=P(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| NC1CC(n2ccc(=O)[nH]c2=O)OC1C(O)CO,CI,0 | |
| CCOC(=O)C1=C(c2ccccc2)N(C(C)=O)Cc2ccccc21,CI,0 | |
| CCOc1ccc(NC(=O)C(=O)C(C(=NN)C(=O)OC)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1,CI,0 | |
| CC(=O)c1ccc(NC(=O)C(CC(=O)C=Cc2ccccc2)=NNC(N)=S)cc1,CI,0 | |
| Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1cccc(Cl)c1C,CI,0 | |
| CCc1cccc(C(C)C)c1NC(=O)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O,CI,0 | |
| O=C(NC1=NC2C=CC([N+](=O)[O-])=CC2S1)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O,CI,0 | |
| Cc1ccc(C)c(NC(=O)C(=O)C(c2cnc3ccc([N+](=O)[O-])cc3n2)[N+](=O)[O-])c1,CI,0 | |
| CC(C)OP(=O)(OC(C)C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(N)(N)S1,CI,0 | |
| Nc1nc(Cl)c2ncn(C3C=CC(O)CC3)c2n1,CI,0 | |
| Cc1cn(C2CC=C(CO)CC2)c(=O)[nH]c1=O,CI,0 | |
| CC=CC#CC#CC(O)C(C=CCCCO)OC1OC(CO)C(O)C(O)C1O,CI,0 | |
| Cc1ccc(C2(C)NC(=S)N(NC(N)=S)C2=S)cc1,CI,0 | |
| COC1(C)CNCC(C)(C)NC(=O)C(C)(OC)CNCC(C)(C)NC1=O,CI,0 | |
| CC(C)(C)OC(=O)N1CC(C)(C)N2C(=O)C3(CCCO3)C12,CI,0 | |
| O=c1cc(-c2ccccc2)oc2cc(OCCSCCCCCCCCCCSCCOc3ccc4c(=O)cc(-c5ccccc5)oc4c3)ccc12,CI,0 | |
| CCOC(=O)C(C)(C)Oc1ccc2c(=O)cc(-c3ccc(Cl)cc3)oc2c1,CI,0 | |
| O=C(c1ccc(Cl)cc1)c1ccc(OCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1,CI,0 | |
| CCOC(=O)C(C)(C)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1,CI,0 | |
| CCOC(=O)C(C)(C)Oc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1,CI,0 | |
| CCOC(=O)C(C)(C)Oc1ccc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c(=O)oc2c1,CI,0 | |
| CCOC(=O)C(C)(C)Oc1ccc2c(-c3ccc(Cl)cc3)cc(=O)oc2c1,CI,0 | |
| O=[N+]([O-])c1ccc(C2N3CCCCC3C3CCCCN32)cc1,CI,0 | |
| COc1ccc(C)cc(O)c1=O,CI,0 | |
| CC(=O)C1=C(C)Cn2c(=O)c3ccccc3c(=O)n2C1,CI,0 | |
| CN1C(=S)CSc2ccccc21,CI,0 | |
| COc1ccc2c3c(nc(O)c2c1C(=O)O)-c1ccccc1CC3,CI,0 | |
| COc1cc(Nc2cnc3ccc(N)cc3n2)cc(OC)c1OC,CI,0 | |
| CC(C)=CCc1c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3,CI,0 | |
| CC(C)=CCc1c(-c2ccc(O)cc2OC2OC(CO)C(O)C(O)C2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3,CI,0 | |
| c1ccc2c(c1)OCCOCCOc1ccccc1OCCO2,CI,0 | |
| CSc1cnc2ccccc2c1Sc1cn(C)c2ccccc2c1=O,CI,0 | |
| CNC=C(C(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1,CI,0 | |
| CC(C)=C1C2C(C13C(=O)OC(C)(C)OC3=O)C2(C)C,CI,0 | |
| Nc1c(Cl)ncnc1Nc1ccc(Cc2ccc(Nc3ncnc(Cl)c3N)cc2)cc1,CI,0 | |
| O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,CI,0 | |
| C=CCCC1(C)CCCNC1=S,CI,0 | |
| CC1CC2=C(S(=O)(=O)c3ccccc3)CC(S(=O)(=O)c3ccccc3)(S(=O)(=O)c3ccccc3)CC21,CI,0 | |
| COc1cc2c(cc1OC)C1(c3ccc(Cl)cc3)ON=C(c3ccccc3)N1CS2,CI,0 | |
| Cl.O=C1C(CN(Cc2ccccc2)Cc2ccccc2)CCCC1CN(Cc1ccccc1)Cc1ccccc1,CI,0 | |
| CN(C)CC1CCCCC(CN(C)C)C1=O.Cl,CI,0 | |
| CC(C)N1CN(C(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccc(O)cc2)CSC1=S,CI,0 | |
| C=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(=NNC(N)=S)c2ccccc2o1,CI,0 | |
| C[N+](C)(C)CC(=O)NN=C(CC(=O)CC(C1=C(O)c2ccccc2OC1)c1ccccc1)C(=O)Nc1cccc(Cl)c1.[Cl-],CI,0 | |
| O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)c1c(O)c2ccccc2oc1=O,CI,0 | |
| Cc1ccc(NC(=O)C(CC2Nc3c(ccc4c3C(=O)c3ccccc3C4=O)NC2O)=NNC(C)(C)C)cc1,CI,0 | |
| CC1(C)CC2=C(SC3C=CC=CC3N2)C(=O)C1C(=O)C(N)=O,CI,0 | |
| Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)C1CCC2=C(Sc3ccccc3N2)C1=O,CI,0 | |
| CC(C)c1cc(C2=[O+][Cu-5]345([OH+]C(c6cc(C(C)C)cc(C(C)C)c6O)=[O+][Mn+2]6(Oc7c(cc(C(C)C)cc7C(C)C)C(=[O+]6)[OH+]3)[O+]=C(c3cc(C(C)C)cc(C(C)C)c3O)[OH+]4)[OH+]C(c3cc(C(C)C)cc(C(C)C)c3O)=[O+][Mn+2]3(Oc4c(cc(C(C)C)cc4C(C)C)C(=[O+]3)[OH+]5)[OH+]2)c(O)c(C(C)C)c1,CI,0 | |
| Cc1c(CCCl)c(Cl)n2c(nc3ccccc32)c1C#N,CI,0 | |
| COc1cc2c(c(C)c1O)C1COc3ccccc3C1O2,CI,0 | |
| O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1cc(Br)ccc1O,CI,0 | |
| O=C1C(Cl)C(c2ccccc2)N1n1cnc2ccccc2c1=O,CI,0 | |
| O=C1C(Cl)C(c2ccccc2O)N1n1cnc2ccccc2c1=O,CI,0 | |
| O=C1C(Cl)C(c2cccc(O)c2)N1n1cnc2ccccc2c1=O,CI,0 | |
| O=C1C(Cl)C(c2ccc(O)cc2)N1n1cnc2ccccc2c1=O,CI,0 | |
| O=C1C(Cl)C(c2cccc([N+](=O)[O-])c2)N1n1cnc2ccccc2c1=O,CI,0 | |
| O=C1C(Cl)C(c2ccc([N+](=O)[O-])cc2)N1n1cnc2ccccc2c1=O,CI,0 | |
| COc1ccccc1C1C(Cl)C(=O)N1n1cnc2ccccc2c1=O,CI,0 | |
| COc1ccc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1,CI,0 | |
| O=C1C(Cl)C(c2ccccc2Cl)N1n1cnc2ccccc2c1=O,CI,0 | |
| O=C1C(Cl)C(c2ccc(Cl)cc2)N1n1cnc2ccccc2c1=O,CI,0 | |
| COc1ccc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1OC,CI,0 | |
| COc1cc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)ccc1O,CI,0 | |
| O=C1C(Cl)C(c2cc(Br)ccc2O)N1n1cnc2ccccc2c1=O,CI,0 | |
| O=C1C(Cl)C(c2cc(Br)cc(Br)c2O)N1n1cnc2ccccc2c1=O,CI,0 | |
| Cc1ccc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1,CI,0 | |
| Cc1noc(C)c1CCCOC1COc2ccccc2OCCOCCOc2ccccc2OC1,CI,0 | |
| CCOC(=O)C1C(c2ccc([N+](=O)[O-])cc2)NC(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)S1(=O)=O,CI,0 | |
| CCOC(=O)C1(C#N)C(c2ccccc2)CC(O)(c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccc([N+](=O)[O-])cc2)C1c1ccccc1,CI,0 | |
| COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C)CC4C3C2=O)cc1,CI,0 | |
| COC(=O)c1cc(CC(C)C)c2c(c1)[nH]c1ccccc12,CI,0 | |
| CCCCCCCCCCCC1CC(=O)NCCCN(C)CCCCN(C)CCCN1C,CI,0 | |
| CC(C)OP(=O)(NC(=S)c1ccccc1)OC(C)C,CI,0 | |
| CC(C)=CCC1=C(O)C(C(=O)C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O,CI,0 | |
| O=C1CSC(C(N=Nc2ccccc2)=C2Nc3ccccc3N2)=N1,CI,0 | |
| S=c1sc2c(n1-c1ccccc1)N=CNC2S,CI,0 | |
| C=CCN(CCN(CC=C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)NCCSS(=O)(=O)c2ccc(C)cc2)cc1,CI,0 | |
| CCOC(=O)C1(CO)CSCCSC1,CI,0 | |
| CCOC(=O)C1CSCCSC1,CI,0 | |
| C=CCc1ccc(Oc2cc(CC=C)c3c(c2O)OC(CO)C3c2ccc(O)c(-c3cc(CC=C)ccc3O)c2)cc1,CI,0 | |
| COC(=O)C(CCC#N)(CCC#N)C(=O)OC,CI,0 | |
| CCCCc1c2c(nc3c1CCCC3=O)CCCC2,CI,0 | |
| CCCCc1c2c(nc3c1CCCC3=Cc1ccccc1)C(=Cc1ccccc1)CCC2,CI,0 | |
| COC(=O)c1csnn1,CI,0 | |
| CC1(C)CC(C)(C)CC(O)(C2(O)CC(C)(C)CC(C)(C)C2)C1,CI,0 | |
| CN(C)C=CC(=O)c1cccc(C(=O)C=CN(C)C)n1,CI,0 | |
| CCCCc1c2c(nc3c1CCc1cc4cc5c(nc4nc1-3)-c1nc3c(c(CCCC)c1CC5)CCCC3=Cc1ccccc1)C(=Cc1ccccc1)CCC2,CI,0 | |
| OC1CSCCCSCCSCCCSC1,CI,0 | |
| C1CSCCCSCCCSCCCSCCCSCCCSCCCSCCCSC1,CI,0 | |
| CCCNC(=S)NNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,CI,0 | |
| O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NNC(=S)Nc1ccccc1,CI,0 | |
| CCn1c(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n[nH]c1=S,CI,0 | |
| CC(C)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1n[nH]c(=S)n1-c1ccccc1,CI,0 | |
| CCOC(=O)CSc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1-c1ccccc1,CI,0 | |
| CCNc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)s1,CI,0 | |
| c1ccc2[nH]c(-c3nc4ccccc4o3)nc2c1,CI,0 | |
| CC(OC1CC(=O)CC2C(=O)C=CC(=O)C12)c1ccccc1,CI,0 | |
| COC1=CC(=O)c2c(cc3c(c2O)-c2c(OC)cc4cc5c(c(O)c4c2OC(=O)CC(C)(O)C3)C(=O)CC(C)(O)C5)C1=O,CI,0 | |
| C=CC(C)(CCC=C(C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc(C(C)(C=C)CCC=C(C)CCC=C(C)C)cc(O)c2O)c1,CI,0 | |
| COc1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,CI,0 | |
| N#CNC(=N)NCc1ccccc1,CM,1 | |
| Cl.NC(=O)N=C(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1,CI,0 | |
| CCCCN(Cc1ccccc1)C(=NC#N)N(Cc1ccccc1)Cc1ccccc1,CI,0 | |
| CSc1nc(O)c2nc(C)c(O)nc2n1,CI,0 | |
| CC(CCC1SC1(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,CI,0 | |
| CCc1ccc(N=Cc2cc(OC)c(OC)c(OC)c2)cc1,CI,0 | |
| NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1NC(=S)NC(=O)c1ccccc1,CI,0 | |
| CC1(C)OC(C#N)CC(CCl)O1,CI,0 | |
| CC1(C)OC(C#N)CC(CC2(C#N)CC(CCl)OC(C)(C)O2)O1,CI,0 | |
| Cc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1N=NN(C)C,CI,0 | |
| CC(=O)OCC1OC(N2C(=O)C(Oc3ccccc3)C2C=Cc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| COc1cc(NC(C)=O)c2[nH]c3c(C)cc(NC(C)=O)c(C)c3c2c1,CI,0 | |
| Cc1nc2nn(C)cc2c(=O)n1N=Cc1ccccc1,CI,0 | |
| O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccc(Br)cc12,CI,0 | |
| O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12,CI,0 | |
| COc1cc(Nc2cnc3cc(N)ccc3n2)cc(OC)c1OC,CI,0 | |
| O=S(=O)([O-])c1ccc2c3c(ccc2c1)[OH+][Cu-][N+](c1ccc(C=Cc2ccc([N+]4=Nc5c(ccc6cc(S(=O)(=O)[O-])ccc56)[OH+][Cu-]4)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1)=N3.[Na+],CM,1 | |
| O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[LiH],CA,1 | |
| CC(=O)c1cccc(N2COC(C)(C)c3nc4ccccc4n3C2)c1,CI,0 | |
| CC1(C)OCN(c2ccc(N3CCOCC3)cc2)Cn2c1nc1ccccc12,CI,0 | |
| CSCC(NC(=O)COc1cccc2cnccc12)C(=O)NC(Cc1ccccc1)C(O)C(=O)N1CSCC1C(=O)NC(C)(C)C,CA,1 | |
| CN1CCOC(C(NC(=O)c2ccccc2)c2ccccc2)C1=O,CI,0 | |
| Cc1ccc(C=CC(=O)C(C)C)cc1,CI,0 | |
| CC(C)C(=O)C=Cc1ccc(Cl)c(Cl)c1,CI,0 | |
| CC1(C)OC2OC3COP(=O)(N(CCCl)CCCl)OC3C2O1,CI,0 | |
| C#CCN1C(=O)CN2C(Cl)(Cl)C2(c2ccccc2)c2cc(Cl)ccc21,CI,0 | |
| CCC(COC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(C)=O)C(N)=O)NC1c2ccccc2Nc2cccc([N+](=O)[O-])c21,CI,0 | |
| N#Cc1nn(-c2ccc(Cl)cc2)c(=N)c2c(N)n3nc(-c4ccccc4)cc3nc12,CI,0 | |
| Cl.Cn1ncnc1CCc1ccccc1,CI,0 | |
| COc1ccc2ccccc2c1CN1CCOCCOCCN(Cc2c(OC)ccc3ccccc23)CCOCCOCC1,CI,0 | |
| CCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCC)c4c3O)c(O)c12,CI,0 | |
| CC1=C(C2=C(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C2=O)C(=O)c2c(C=O)c(O)c(O)c(C(C)C)c2C1=O,CI,0 | |
| Nc1c(C(=O)NN=Cc2ccc(Cl)cc2)sc(=S)n1-c1ccccc1,CI,0 | |
| COc1ccc(C=NNC(=O)C2=C(N)N(c3ccccc3)C(=C(C#N)C#N)S2)cc1,CI,0 | |
| CC(C)C1CNC(=O)C2(CCCO2)CNC(C(C)C)CNC(=O)C2(CCCO2)CN1,CI,0 | |
| COC1(C)C=NCC(C)(C)NC(=O)C(C)(OC)C=NCC(C)(C)NC1=O,CI,0 | |
| COP(=O)(OC)C(=O)N1N(c2ccc([N+](=O)[O-])cc2)C(=O)C(C)NC1(NNc1ccc([N+](=O)[O-])cc1)P(=O)(OC)OC,CI,0 | |
| O=C1C2C=CC(n3[nH]c(=O)n(Cc4ccccc4)c3=O)CC2C(=O)N1c1ccc(Br)cc1,CI,0 | |
| O=C1c2ccccc2N2OC3C4CCC(C4)C3C12c1ccccc1,CI,0 | |
| O=C1c2ccccc2N2OC3(N4CCOCC4)CCCC3C12c1ccccc1,CI,0 | |
| CN=C1CC2c3cc(OC)c(OC)cc3CCN2C2=C1C(=O)CC(C)(C)C2.Cl,CI,0 | |
| Cc1cccc2c(=O)c([Se]c3coc4c(C)cccc4c3=O)coc12,CI,0 | |
| COc1ccc(-c2c3ccccc3c(-c3ccc(OCCCCCBr)cc3)c3ccccc23)cc1,CI,0 | |
| O=C(CP(=O)(O)O)c1cccs1,CI,0 | |
| O=C(O)CN1CCSc2ccccc2CN(CC(=O)O)CCSc2ccccc2C1,CI,0 | |
| CN(CCO)c1nc(O)c2c(n1)CCC2,CI,0 | |
| CN(CCO)c1nc(=O)c2c(n1C1OC(CO)C(O)C(O)C1O)CCCC2,CI,0 | |
| O=C(O)c1ccc(C2COc3ccc(Cl)cc3C2)cc1,CI,0 | |
| NC1=c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2=NS(=O)(O)=N1,CI,0 | |
| COc1ccc(-c2nc3c(nc2-c2ccc(OC)cc2)N(C)S(=O)(=O)NC3=N)cc1,CI,0 | |
| O=C1c2nc3n(c2C(=O)c2c1nc1n2CCC1)CCC3,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3)c2c1O,CI,0 | |
| Nc1ccc2nc(Nc3ccc(F)cc3)cnc2c1,CI,0 | |
| Nc1ccc2ncc(Nc3ccc(F)cc3)nc2c1,CI,0 | |
| COc1ccc(CNc2cnc3ccc(N)cc3n2)cc1OC,CI,0 | |
| COc1cc(Cl)cc(N(O)C(C)=O)c1OCc1ccccc1,CI,0 | |
| Cc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)[O-])c3ccccc3nc12.Cl,CI,0 | |
| Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12.Cl,CI,0 | |
| COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12.Cl,CI,0 | |
| COc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)O)c3ccccc3nc12.Cl.[Cl-],CI,0 | |
| Cc1cccc2c(NCCCN(C)C)c3c([N+](=O)[O-])ccc(C)c3nc12.Cl,CI,0 | |
| CN1C2CCC1C(=Cc1cccc3c1OCO3)C(=O)C2=Cc1cccc2c1OCO2,CI,0 | |
| COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O.N,CI,0 | |
| COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)N(C)C,CI,0 | |
| Nc1cc(-c2ccccc2)nn1-c1nsc2ccccc12,CI,0 | |
| O=C(O)CCC(=NNc1nsc2ccccc12)c1ccccc1,CI,0 | |
| CCCCCCCSc1nc2c(C(=O)OCC)ncn2c2ccccc12,CI,0 | |
| CCCc1c(C(=O)OCC)[nH]c(-c2ccc(-c3[nH]c(C(=O)OCC)c(CCC)c3C(=O)OCC)o2)c1C(=O)OCC,CI,0 | |
| CCCc1c(C(=O)OCC)[nH]c(-c2ccc(-c3[nH]c(C(=O)OCC)c(CCC)c3C(=O)OCC)s2)c1C(=O)OCC,CI,0 | |
| CCCc1cc(-c2ccc(-c3cc(CCC)c(C=O)[nH]3)s2)[nH]c1C=O,CI,0 | |
| N#Cc1ccc(Nc2cnc3ccc(N)cc3n2)cc1,CI,0 | |
| N#CC(=Cc1ccc(O)c(O)c1)C(=O)NC1CCC(CC2CCC(NC(=O)C(C#N)=Cc3ccc(O)c(O)c3)CC2)CC1,CI,0 | |
| Cc1ccc(N2C(=O)C(=C3Sc4c(nc(C)n(C)c4=O)N3c3ccccc3)SC2=S)cc1,CI,0 | |
| N#Cc1c2ccccc2cn1-c1ccc(F)cc1,CI,0 | |
| COc1ccc(S(=O)(=O)O)cc1C(=O)c1cc(S(=O)(=O)O)ccc1OC.N,CI,0 | |
| COc1ccc(S(=O)(=O)OC)cc1C(=O)c1cc(S(=O)(=O)OC)ccc1OC,CI,0 | |
| CN(C)S(=O)(=O)c1cc(Cl)cc(Cc2cc(Cl)cc(S(=O)(=O)N(C)C)c2O)c1O,CI,0 | |
| COc1c(Cc2cc(Cl)cc(S(=O)(=O)N(C)C)c2OC)cc(Cl)cc1S(=O)(=O)N(C)C,CI,0 | |
| COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C)c1OC,CI,0 | |
| COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1OC,CI,0 | |
| CCC1C(=O)OCc2c1cc1n(c2=O)CCC12OCCO2,CI,0 | |
| O=c1n(CC2CO2)c2ccccc2n1CC1CS1,CI,0 | |
| CC[Ge](CC)(CC)OC(=O)CCC(=O)O[Ge](CC)(CC)CC,CI,0 | |
| CN(C)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl,CI,0 | |
| C[N+](C)(O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl.[Cl-],CI,0 | |
| COc1cccc2c(NCCCN(C)C)c3c([N+](=O)[O-])ccc(OC)c3nc12.Cl,CI,0 | |
| CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N1CCCC1C(=O)OCc1ccccc1)C(C)C)C(C)C,CI,0 | |
| COc1cc(C(C#N)NNC(=O)Cc2ccccc2)cc(OC)c1OC,CI,0 | |
| N#CC(NNC(=O)c1ccccc1O)c1c(O)ccc2ccccc12,CI,0 | |
| Cc1cc2ncn(-c3nc4ccccc4nc3C(C#N)S(C)(=O)=O)c2cc1C,CI,0 | |
| Cc1ccc(S(=O)(=O)c2c(N)c3nccn3c3nc4ccccc4nc23)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)C2c3nc4ccccc4cc3-c3nc4ccccc4nc32)cc1,CI,0 | |
| CC(c1ccc2c(c1)CCC1C2CC2OC23CC=CC(=O)C13C)C1CC2(C)OC2(C)C(O)O1,CI,0 | |
| COc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N,CA,1 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC(CC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CA,1 | |
| COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O.N,CI,0 | |
| CC(C)(Oc1ccc2c(=O)cc(-c3ccc(Cl)cc3)oc2c1)C(=O)Nc1c(Cl)cccc1Cl,CI,0 | |
| COCOc1ccc(Cn2c(=O)n(C)c(=O)c3c2ncn3C)cc1[N+](=O)[O-],CI,0 | |
| CCOC12CC(OC)C3(O)CC(C1C3O)C13C(OC)CC(O)C4(COC)CN(CC)C1C2C(OC)C43,CI,0 | |
| Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc2n2ccnc12,CI,0 | |
| C[n+]1ccn2c3nc4ccccc4nc3c([O-])c(C#N)c21,CI,0 | |
| C[n+]1c(Cl)cn2c3nc4ccccc4nc3c([O-])c(C#N)c21,CI,0 | |
| CC1(C)OC2C3OC(C(Cl)(Cl)Cl)=NC3C(I)C(N3C(=O)c4ccccc4C3=O)C2O1,CI,0 | |
| CC1CSC(=S)N1C(=O)N1C(=S)SCC1C,CI,0 | |
| Cc1cc(C)c(NS(=O)c2ccc(Cl)cc2)c(C)c1,CI,0 | |
| CC(=NNc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Nc1ccccc1,CI,0 | |
| CCCCCC=C(c1ccc(OC)c(S(=O)(=O)N(C)C)c1)c1ccc(OC)c(S(=O)(=O)N(C)C)c1,CI,0 | |
| COc1nc(NC2OCC(O)C(O)C2O)c(NC2OCC(O)C(O)C2O)c(=O)n1C,CI,0 | |
| OC12c3ccccc3C1CCCCC2N1CCCC1,CI,0 | |
| CCN(CC)c1cccc2c1C(=NO)CCCC2,CI,0 | |
| Cl.OC12CCCCCC1(N1CCOCC1)c1ccccc12,CI,0 | |
| CCN(CC)c1cccc2c1C1(O)CCC3(CC21)OCCCCO3,CI,0 | |
| CC1=CCC(O)C=CC(C)C(O)C(C)C=C(C)C(=O)c2c(O)c(C)cc3c2C(=O)C(N)=C(NC(=O)C=CC=CC=CC(C)C(O)CC1=O)C3=O,CI,0 | |
| CC(=O)Nc1ccc(C(=O)NN2C(=O)CSC2c2ccccc2)cc1,CI,0 | |
| COc1ccc(C2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1,CI,0 | |
| CC(=O)Nc1ccc(C(=O)NN2C(=O)CSC2c2ccc(O)cc2)cc1,CI,0 | |
| CC(=O)Nc1ccc(C(=O)NN2C(=O)CSC2c2ccc([N+](=O)[O-])cc2)cc1,CI,0 | |
| COc1ccc(C2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)c(OC)c1,CI,0 | |
| CCCCCn1cnc2c1S(=O)(=O)N(C)C(NC(=O)c1ccccc1)=N2,CI,0 | |
| COc1cc2c(cc1OC)C1=Cc3cc(OC)c(OC)cc3C(C)N1C=C2,CI,0 | |
| COC1OC(C)C(NC(=O)OCC(Cl)(Cl)Cl)C2OC(C)(C)OC12,CI,0 | |
| COC(=NN=Cc1ccc(OC)c(OC)c1)c1ccncc1,CI,0 | |
| CC(=NNC(=O)c1ccncc1)c1ccccc1F,CI,0 | |
| CC(=NNC(=O)c1ccncc1)c1cccc(F)c1,CI,0 | |
| CC(=NNC(=O)c1ccncc1)c1cccc(C(F)(F)F)c1,CI,0 | |
| COc1ccc(C(C)=NNC(=O)c2ccncc2)c(OC)c1,CI,0 | |
| COc1ccc(C(C)=NNC(=O)c2ccncc2)cc1OC,CI,0 | |
| Cc1ncc([N+](=O)[O-])n1CCN(C)C(=O)CCCn1ccnc1[N+](=O)[O-],CI,0 | |
| CCC12C=CCN3CCC4(c5cc(C6(C(=O)OC)CC7CN(CCc8c6[nH]c6ccccc86)CC6CCCCC67)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32.COS(=O)(=O)O,CI,0 | |
| CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNS(=O)(=O)CCC[n+]1cccc2ccccc21)COC.[I-],CI,0 | |
| CC1(O)CC2C(CC1SC1CC3C(CC1(C)O)C3(C)C)C2(C)C,CI,0 | |
| O=C1Cc2ccccc2CCc2ccsc21,CM,1 | |
| O=C1C(c2ccccc2)=C(O)c2cccc3cccc1c23,CI,0 | |
| Cl.NC(CSSCC(N)Cc1ccccc1)Cc1ccccc1,CI,0 | |
| CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,CI,0 | |
| CCN1CCC(O)(C=Cc2ccc(Cl)cc2)C(C(=O)C=Cc2ccc(Cl)cc2)C1.Cl,CI,0 | |
| CC(C=Cc1ccccc1)=NN=C(C)C=Cc1ccccc1,CI,0 | |
| CN(C)CC1CCc2ccccc2C1=O.Cl,CI,0 | |
| COc1cccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C(O)C3O)n2)c1,CI,0 | |
| OCC1OC(n2nc(-c3ccccc3)nc2-c2cnccn2)C(O)C1O,CI,0 | |
| COc1ccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C3O)n2)cc1,CI,0 | |
| Cc1cccc2c1Oc1cc(Cl)ccc1C2NC(=O)CCN1CCN(CCO)CC1,CI,0 | |
| CC(=O)NC(C)(C)C1CC=C(C)C(=NO)C1,CI,0 | |
| CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2ccc(N4C(=O)C5C6CC7C8(C)CCCC(C)(C(=O)O)C8CCC7(C=C6C(C)C)C5C4=O)cc2)C(=O)C13.[NaH],CI,0 | |
| CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2cccc(N4C(=O)C5C6CC7C8(C)CCCC(C)(C(=O)O)C8CCC7(C=C6C(C)C)C5C4=O)c2)C(=O)C13.[NaH],CI,0 | |
| CN1CCN(C(=S)N(C(=O)c2ccco2)c2ccccc2)CC1,CI,0 | |
| CN(C(=O)c1cccs1)C(=S)N1CCN(c2ccccc2)CC1,CI,0 | |
| CN(C(=O)c1ccc(Cl)cc1)C(=S)N1CCN(c2ccccn2)CC1,CI,0 | |
| O=C(c1cccs1)N(C(=S)N1CCN(c2ccccn2)CC1)C1CCCCC1,CI,0 | |
| O=C(c1ccco1)N(C(=S)N1CCN(c2ccccn2)CC1)c1ccccc1,CI,0 | |
| CC=C(C)C(=O)OC1C(O)CC(c2ccc3c(c2O)C(=O)C2=C(O)C4(OC)C(=O)C(C(N)=O)=C(O)C(CC(=O)c5ccccc5O)C4CC2C3(C)OC)OC1C,CI,0 | |
| COc1ccc(CNc2cnc3cc(N)ccc3n2)cc1,CI,0 | |
| Nc1ncnc2c1ncn2CC1COC(CO)O1,CI,0 | |
| COC(=O)C12CSCN1C(=O)C(C(C)=O)=NN2C(=O)C(OC)(c1ccccc1)C(F)(F)F,CI,0 | |
| COc1ccc(C2SC(C)C(=O)N2c2nc(-c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1,CI,0 | |
| CCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl,CI,0 | |
| O=C1CN(c2ccccc2)C(=O)CN1CCN1CC(=O)N(c2ccccc2)CC1=O,CI,0 | |
| O=C1CN(c2cccc(Cl)c2)C(=O)CN1CCN1CC(=O)N(c2cccc(Cl)c2)CC1=O,CI,0 | |
| O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1CCN1CC(=O)N(c2cccc(C(F)(F)F)c2)CC1=O,CI,0 | |
| CC[N+]1(C)CCC(O)(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)C1.[Br-],CI,0 | |
| Cl.O=C1CCCCC1CN(Cc1ccccc1)Cc1ccccc1,CI,0 | |
| Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(N)cc1,CI,0 | |
| O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccn1,CI,0 | |
| Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1[N+](=O)[O-],CI,0 | |
| Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1O,CI,0 | |
| Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(CS)cc1,CI,0 | |
| Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| CC1=NC(=Cc2cc(Br)cc(Br)c2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O,CI,0 | |
| Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccccc1)SC(=N)N2,CM,1 | |
| Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccccc1O)SC(=N)N2,CM,1 | |
| COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)cc1,CM,1 | |
| Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(Cl)cc1)SC(=N)N2,CM,1 | |
| Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc([N+](=O)[O-])cc1)SC(=N)N2,CM,1 | |
| Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(O)cc1)SC(=N)N2,CM,1 | |
| Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccccc1[N+](=O)[O-])SC(=N)N2,CM,1 | |
| COc1cccc(C2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)c1,CM,1 | |
| COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)cc(OC)c1OC,CM,1 | |
| Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(N(C)C)cc1)SC(=N)N2,CM,1 | |
| Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(C=Cc3ccccc3)cc1)SC(=N)N2,CI,0 | |
| Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc3ccccc3c1O)SC(=N)N2,CI,0 | |
| CC(=O)NC1=NC(=O)C(=Cc2ccc(Cl)cc2Cl)N1C,CI,0 | |
| Cc1ccc2c(c1)[nH]c(=S)n2C=C1C(=O)Oc2ccccc2C1=O,CI,0 | |
| O=C1Oc2ccccc2C(=O)C1=CNC(=S)Nc1ccccc1,CI,0 | |
| CC1=CC(=O)C(=CNC(N)=S)C(=O)O1,CI,0 | |
| Cn1c(=S)[nH]c2c(Cl)cc(Cl)cc2c1=O,CI,0 | |
| COc1cc(C=C2SC(NNc3nc(-c4ccc(Br)cc4)cs3)=NC2=O)cc(OC)c1OC,CI,0 | |
| CC1=CC(=O)C(=CNC(=S)NCc2ccccc2)C(=O)O1,CI,0 | |
| CCCCCCCCNC(=S)NC=C1C(=O)Oc2ccccc2C1=O,CI,0 | |
| CC(C)OP(=O)(CCCCCCCCCC=Cc1ccc2c(c1)OCCOCCOCCOCCO2)OC(C)C,CI,0 | |
| COc1ccc2c(c1)OCC1c3ccc(OCc4ccccc4)cc3OC21,CM,1 | |
| COc1ccc2c(c1)OCC1c3cc(OC)c(OCc4ccccc4)cc3OC21,CA,1 | |
| O=C1Nc2ccccc2C1=NNc1nc(-c2cccc([N+](=O)[O-])c2)cs1,CI,0 | |
| Cc1ccccc1NC(=O)Cc1csc2[n+]1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)S2.[BrH2+],CI,0 | |
| NS(=O)(=O)c1ccc(NC(=S)NC=C2C(=O)Nc3ccccc3C2=O)cc1,CI,0 | |
| O=C1Nc2ccccc2C1=NNc1nc(-c2ccccc2)cs1,CI,0 | |
| COc1ccc(C=C2NC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)cc1OC,CI,0 | |
| CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)O.c1ccncc1,CI,0 | |
| I.O=CSC(=Nc1ccc(Cl)cc1)NC(=O)COc1ccc(Cl)cc1,CI,0 | |
| COC(=O)c1cc(C(=O)OC)c(CC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1CC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,CI,0 | |
| Cc1sc(NN=C2C(=O)Nc3ccccc32)nc1-c1ccccc1,CI,0 | |
| NC(=S)NNC1=NC(=O)C(=Cc2ccc3c(c2)OCO3)S1,CI,0 | |
| O=C1Oc2ccccc2C(=O)C1=CN1C(=O)NC(=Cc2ccccc2O)C1=O,CI,0 | |
| CC1=CC(=O)C(=CNC(=S)c2ccccc2)C(=O)O1,CI,0 | |
| CCCNC(=S)NC=C1C(=O)C=C(C)OC1=O,CI,0 | |
| COc1cc(C=C2C(=O)N=C(NC(C)=O)N2C)ccc1OC(C)=O,CI,0 | |
| C[n+]1c(-c2ccc(C=NNC(=N)NN=Cc3ccc(-c4cn5ccsc5[n+]4C)cc3)cc2)cn2ccsc21.Cl.[Cl-],CM,1 | |
| CCOC(=O)OC1C(Br)C2CCC1(C)C2(C)C,CI,0 | |
| CC(=O)OC1CC2C(=C[N+](=O)[O-])C(=O)C1(C)C2(C)C,CI,0 | |
| CC1(C)C2CC(O)C1CCC2=O,CI,0 | |
| O=C(O)CCNC(=O)OCc1ccccc1,CI,0 | |
| CC1(O)C(=O)OC2CC(C3(O)CCC4C5CC6OC67C(O)C=CC(=O)C7(C)C5CCC43C)C1(C)C2,CI,0 | |
| O=S(=O)(N=S(Nc1ccccc1)C(F)(F)Cl)c1ccccc1,CI,0 | |
| O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH],CI,0 | |
| O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccccc3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccccc1O.[NaH],CM,1 | |
| COc1cc(OC)c2nc3ccccc3c(NCCCN(C)C)c2c1[N+](=O)[O-].Cl,CI,0 | |
| COc1cc(OC)c2nc3ccccc3c(NCCC[N+](C)(C)O)c2c1[N+](=O)[O-].Cl.[Cl-],CI,0 | |
| Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccco1)SC(=N)N2,CM,1 | |
| Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccccc1)SC(=N)N2,CM,1 | |
| Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccccc1O)SC(=N)N2,CI,0 | |
| COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccncc2)cc1,CI,0 | |
| Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccc(Cl)cc1)SC(=N)N2,CI,0 | |
| Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccc([N+](=O)[O-])cc1)SC(=N)N2,CI,0 | |
| Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccccc1[N+](=O)[O-])SC(=N)N2,CI,0 | |
| Cc1nn(C(=O)c2ccncc2)c2c1C(c1cccc([N+](=O)[O-])c1)SC(=N)N2,CI,0 | |
| COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccncc2)cc1OC,CM,1 | |
| Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc3ccccc3c1O)SC(=N)N2,CI,0 | |
| CCN1CC2(C)CCC(OCc3ccccc3)C34C5CC6CCC(O)(C(CC23)C14)C5C6OCc1ccccc1,CI,0 | |
| CN(N=Cc1cccs1)c1ccc(Cl)cc1[N+](=O)[O-],CI,0 | |
| O=[N+]([O-])c1ccc2c(c1)C(=NN=C1c3ccccc3Cc3ccccc31)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2,CI,0 | |
| O=[N+]([O-])c1ccc2c(c1)C(=NN=C1c3cc([N+](=O)[O-])ccc3-c3c1cc([N+](=O)[O-])cc3[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1=C1SC(c2ccccc2)(c2ccccc2)c2ccccc21,CI,0 | |
| COc1ccc2c(c1)nc(O)c1c3ccccc3[nH]c21,CI,0 | |
| CC(=O)Oc1ccc2c(c1)oc1c3ccc(OC(C)=O)cc3n(C)c(=O)c21,CI,0 | |
| CCn1c(=O)c2c3ccc(O)cc3oc2c2ccc(O)cc21,CI,0 | |
| CCn1c(=O)c2c3cc(OC(C)=O)ccc3oc2c2ccc(OC(C)=O)cc21,CI,0 | |
| Cn1c(=O)c(-c2ccccc2)c(N=[N+]=[N-])c2ccccc21,CI,0 | |
| CC(=O)N1C(OC(C)C)CC(C)N1c1ccccc1,CI,0 | |
| CC(=O)N1C(NN(C)C)CCN1c1ccccc1,CI,0 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC(=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CM,1 | |
| Br.CCc1cccc(CC)c1Nc1nc(-c2ccccc2-c2ccccc2)cs1,CI,0 | |
| CCOC(=O)c1sc2[n+](c1C)C(=O)C(=Cc1ccccc1Cl)S2.[ClH2+],CI,0 | |
| N#CC(=CNC(N)=S)C(N)=O,CI,0 | |
| CC(=O)C(=CNC(N)=S)C(=O)Nc1ccccc1C,CI,0 | |
| NC(=O)C(=CN1CC(=O)NC1=S)C(N)=O,CI,0 | |
| CC(=O)C(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1ccccc1C,CI,0 | |
| N#CC(=CNC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(N)=O,CI,0 | |
| Br.CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1,CI,0 | |
| CCOC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OCC,CI,0 | |
| Cl.O=C1Oc2ccccc2C(=O)C1=CNc1nc(-c2ccccc2)cs1,CI,0 | |
| CCOC(=O)C(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)OCC,CI,0 | |
| CC(=O)Nc1cc(Cl)cc(Cl)c1O,CI,0 | |
| COc1cc(C)cc2c1C(=O)C(NC(C)=O)=CC2=O,CI,0 | |
| COc1cc(CC(C)NC(C)c2ccccc2)cc(OC)c1.Cl,CI,0 | |
| CC1=C(C)SC(=C2Sc3[nH+]c(O)nc(O)c3S2)S1.CCCC[N+](CCCC)(CCCC)CCCC,CI,0 | |
| CC1=C(C)SC(=C2Sc3c(n(C)c(=O)[nH]c3=O)S2)S1,CI,0 | |
| C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(Cc2c[nH]cn2)C(=O)[OH+]1.[Cl-],CI,0 | |
| CC(=O)N=C1N(C)C(=Cc2ccc(Cl)cc2Cl)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O,CI,0 | |
| CC(=S)NC=C(C(N)=O)C(N)=O,CI,0 | |
| C=CCNC(=S)NC=C(C(N)=O)C(N)=O,CI,0 | |
| O=C(O)c1cnc2[nH]ccn2c1=O,CI,0 | |
| CC(C)=CC1CC(C)C2(CCC3(C)CC4C5C(=CCC32)C(=O)OC5CC4(C)O)O1,CI,0 | |
| O=C1N=C2SC(=S)NC(=S)N2NC12c1ccccc1-c1ccccc12,CI,0 | |
| O=C1N=C2SC=C(NC(=S)Nc3ccccc3)N2NC12c1ccccc1-c1ccccc12,CI,0 | |
| CCCCc1ccc2[n+](c1)C(C(=O)OCC)=PC2,CI,0 | |
| CN(NC(=O)C(=Cc1ccco1)NC(=O)c1ccccc1)c1cnnc(O)c1Cl,CI,0 | |
| CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1nc(-c2ccc(O)c(O)c2)cs1,CI,0 | |
| CCOc1ccc(C=C2C(=O)N(C=C3C(=O)Oc4ccccc4C3=O)C(=NC(C)=O)N2C)cc1,CI,0 | |
| NC(=O)C(=CNC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(N)=O,CI,0 | |
| COc1ccc(-c2c(C#N)c(=O)nc(SC)n2C2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1,CI,0 | |
| CC1(C)CC(=O)C(=CNC(=S)NC2CCCCC2)C(=O)C1,CI,0 | |
| O=C1c2cn[nH]c2N=C(Nc2ccccc2)C1N=Cc1ccc([N+](=O)[O-])cc1,CI,0 | |
| N#Cc1nc(COCCOCc2ccccc2)oc1N,CM,1 | |
| OCC(CN1CCCCC1)(CN1CCCCC1)CN1CCCCC1,CI,0 | |
| Cl.O=C(N1CCN(CCO)CC1)N1c2ccccc2Sc2ccccc21,CI,0 | |
| CC(C)(CCCCC(C)(C)[N+](C)(C)C)[N+](C)(C)C.[I-],CI,0 | |
| OC(CC(=NN1CCCCC1)c1cccs1)(C(F)(F)F)C(F)(F)F,CI,0 | |
| CCNc1cc2c3c(c1)CCN3CCC2.Cl,CI,0 | |
| Cc1ccccc1OCC1COC(c2ccc(Cl)cc2)O1,CI,0 | |
| O=C(OCc1ccccc1)N1CC(OCc2ccccc2)C(OCc2ccccc2)C1CO,CI,0 | |
| Clc1cccc(-c2sc(-c3cccs3)cc2Cc2cccs2)c1,CI,0 | |
| COc1ccc(CCn2cnc3ccccc32)cc1.Cl,CI,0 | |
| COc1ccc(C(O)c2nccn2C)c(OC)c1,CI,0 | |
| CSC1NC(c2ccc(Cl)cc2)=C(C#N)C(=O)N1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| C=C1CCc2ccccc2C1=O,CI,0 | |
| CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccccc1,CI,0 | |
| Cc1ccc(C(CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)O)cc1,CI,0 | |
| COc1ccc(C(CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)O)cc1,CI,0 | |
| CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccc(Cl)cc1,CI,0 | |
| CCOc1ccc(NC(=S)NC=C(C#N)C#N)cc1,CI,0 | |
| CC(=O)c1sc(Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nc1C,CI,0 | |
| O=C1Oc2ccccc2C(=O)C1=CN1C(=O)C(=Cc2ccccc2)NC1=S,CI,0 | |
| NC(=S)C(=S)NC=C1C(=O)Oc2ccccc2C1=O,CI,0 | |
| CCOC(=O)c1sc2[n+](c1C)C(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)S2.[Cl-],CI,0 | |
| O=C(Cc1csc2[n+]1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)S2)Nc1ccccc1.[Br-],CI,0 | |
| CCCCCCCCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1,CI,0 | |
| CCCCCCNC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1,CI,0 | |
| COC(=O)C(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| O=c1ccn(C=Cc2nc3ccccc3nc2O)c(=S)[nH]1,CI,0 | |
| COc1ccc(NC(=O)CC(=O)NNC(Sc2ccccc2)c2cc(N=Nc3ccc(Br)cc3)ccc2O)cc1,CI,0 | |
| COC(=O)C(=O)C(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)c1c(C)[nH]c2ccccc12,CI,0 | |
| COc1ccc(C=C2SC(=S)N(C=C3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1OC,CI,0 | |
| O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccc(Cl)cc3Cl)S(=O)(=O)Cc3ccc(Cl)cc3Cl)c2c1,CI,0 | |
| N#CC(=CN1C(=O)CC(=O)NC1=S)c1cccc(Cl)c1,CI,0 | |
| CCCCOC(=O)C(=O)C(=CN1C(=O)C(=CC(C)=Cc2ccccc2)SC1=S)C(=O)C=C(C)C,CI,0 | |
| CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1C(=S)NC(=O)C1=Cc1cccc([N+](=O)[O-])c1,CI,0 | |
| CCCCCCCCCCCCCCCCNC(=S)NC=C(C#N)C(=O)OC,CI,0 | |
| N#CC(=CN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)c1nc2ccccc2s1,CI,0 | |
| N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1=Cn1c(=S)[nH]c2ccccc21,CI,0 | |
| O=C1NC(=O)C(CN2C(=O)C(=Cc3cccc(O)c3)SC2=S)C(=O)N1,CI,0 | |
| CCOC(=O)C(=CN1CC(=CC(C)=Cc2ccccc2)SC1=S)C(=O)OCC,CI,0 | |
| COC(=O)C(C#N)=CNC(=S)C(N)=S,CI,0 | |
| CC(=O)NNC(=S)NC=C(C(=O)c1ccccc1)C(=O)c1ccccc1,CI,0 | |
| O=C(C1=CC=CCC1)C(=CNC(=S)c1ccncc1)C(=O)c1ccccc1,CI,0 | |
| O=S(Cc1ccccc1)C(=CNC(=S)Nc1cc(Cl)ccc1Cl)c1ccccc1,CI,0 | |
| CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)NN=C1C(=O)Nc2ccccc21,CI,0 | |
| CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(C)=S,CI,0 | |
| N=C1NN(c2ccccc2)C(=O)C1=CNC(=S)C(N)=S,CI,0 | |
| N=C1NN(c2ccccc2)C(=O)C1=CNC(=S)NC1CCCCC1,CI,0 | |
| Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)Nc2cc(Cl)ccc2Cl)cc1,CI,0 | |
| O=C1CN(C=C(c2ccccc2)S(=O)Cc2ccccc2)C(=S)N1,CI,0 | |
| Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)Nc2ccccc2)cc1,CI,0 | |
| N#CC(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(=O)c1ccc2ccccc2c1,CI,0 | |
| CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1CC(=O)NC1=S,CI,0 | |
| N#CC(=CN1CCNC1=S)C(=O)c1ccc2ccccc2c1,CI,0 | |
| O=C1c2cccnc2-c2nccc3c2c1nc1cc(Br)ccc13,CI,0 | |
| COc1ccc(NC(=O)C(=CNC(=S)NNC(C)=O)C(C)=O)cc1,CI,0 | |
| COc1ccc(CCNC(=S)NC=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1OC,CI,0 | |
| C=CCNC(=S)NC=C(C(C)=O)C(=O)Nc1ccccc1OC,CI,0 | |
| CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)NCc1ccccc1,CI,0 | |
| CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)Nc1ccccc1,CI,0 | |
| N#CC(=Cn1c(=S)[nH]c2ccccc21)c1nc2ccccc2s1,CI,0 | |
| C=C1C(=O)OC2C=C(C)CCC=C(C)CC(OC(=O)C(=CCO)CO)C12,CI,0 | |
| N#CC(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)c1ccc2ccccc2c1,CI,0 | |
| C=CCNC(=S)NC=C(C#N)c1nc2ccccc2s1,CI,0 | |
| C=CCNC(=S)NC=C(c1ccccc1)S(=O)Cc1ccccc1,CI,0 | |
| N#CC(=CNC(=S)C(N)=S)c1nc2ccccc2s1,CI,0 | |
| C=CCNC(=S)NC=Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0 | |
| CC(=O)C(=Cn1ccc(=O)[nH]c1=S)C(=O)Nc1ccc(Cl)cc1,CI,0 | |
| O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)ccc3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1cc(S(=O)(=O)O)ccc1O.[NaH],CM,1 | |
| C=CCNC(=S)NC=C(C(=O)c1ccccc1)c1ccccc1,CI,0 | |
| O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21,CI,0 | |
| O=C1NC(=O)C(=CNC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)N1,CI,0 | |
| O=C1NC(=O)C(=CNC(=S)Nc2cc(Cl)ccc2Cl)C(=O)N1,CI,0 | |
| CC1CCC2C(C(=O)OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)=COC(OC3OC(CO)C(O)C(O)C3O)C12,CI,0 | |
| CC(=O)C(=CNC(N)=S)C(N)=O,CI,0 | |
| O=C(NC=C(c1ccccc1)S(=O)Cc1ccccc1)Nc1ccccc1Cl,CM,1 | |
| CCOc1ccc(NC(=S)NC=C2C(=O)C=C(C)OC2=O)cc1,CI,0 | |
| NC(CS)C(=O)NCCNCCNc1ccc(NCCNCCNC(=O)C(N)CS)c2c1C(=O)c1c(O)ccc(O)c1C2=O,CI,0 | |
| C1=C(c2ccccc2)C(N2CCOCC2)Oc2ccccc21,CI,0 | |
| CSC1=NN(C(C)=O)C(C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)S1,CI,0 | |
| N#Cc1c(Cl)cc(C#N)n2c1nc1ccccc12,CI,0 | |
| CSc1nc(C)c(CCCl)c(Cl)n1,CI,0 | |
| CSc1nc(C)c(CCOC(C)=O)c(Cl)n1,CI,0 | |
| CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O)C(C)O,CI,0 | |
| CCCCC1=CC1(C#N)[N+](=O)[O-],CI,0 | |
| CCC(CCCCC1CCC2CC(=O)CC12)OC,CI,0 | |
| CC(=O)C12CC(C#N)(N3CCCCCC3)C1C=Cc1ccccc12,CI,0 | |
| COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=CC1(CCCC1)O2,CI,0 | |
| CCN(CC)CCNc1ccc2ncn3c4cc(OC)c(OC)c(O)c4c(=O)c1c23,CI,0 | |
| O=C(O)C[n+]1cn(NC(=O)Cc2ccccc2)cn1.[BrH2+],CI,0 | |
| CCN(CC)[N+](=O)[N-]OCOC(C)=O,CI,0 | |
| Cl.O=[N+]([O-])c1nccn1CCCNCCCn1ccnc1[N+](=O)[O-],CI,0 | |
| Cc1cc(S(=O)(=O)Nc2cc(=N)[nH][nH]2)c(SCc2nc(N)nc(N(C)C)n2)cc1Cl,CI,0 | |
| CCC(Sc1cc(Cl)c(C)cc1S(=O)(=O)Nc1nc(N)nc(N(C)C)n1)C(=O)O,CI,0 | |
| CCSc1[nH]c(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)c(C(N)=O)c1C(N)=O,CI,0 | |
| COc1ccc(C(=O)C=Cc2ccc(OCC(=N)N)cc2)cc1OC.Cl,CI,0 | |
| COc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4c5ccccc5CCC4C3C2=O)c1,CI,0 | |
| c1ccc2c(c1)CC1c3[nH]c4ccccc4c3CCN21,CI,0 | |
| Cc1ccc(S(=O)(=O)OC2C3OC(C)(C)OC3OC2C(c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1,CI,0 | |
| Cc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(C)cc2)C(C)C)C(C)C)cc1,CI,0 | |
| CC(C)(CN1CCCCC1)C(C=Cc1ccc(Cl)c(Cl)c1)=NNC(=O)NN=C(C=Cc1ccc(Cl)c(Cl)c1)C(C)(C)CN1CCCCC1.Cl,CI,0 | |
| Cc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(C)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1.Cl,CI,0 | |
| CC1(C)NC(=C[N+](=O)[O-])C(C)(C)N1O,CI,0 | |
| CC(C)=CCOc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O,CI,0 | |
| c1ccc(C2=NC3OC2c2ccccc23)cc1,CI,0 | |
| O=c1c2cc3c(cc2[nH]c2ncccc12)OCO3,CI,0 | |
| O=c1c2cccnc2[nH]c2ccc3scnc3c12,CI,0 | |
| Nc1c2cc3ccc2nc2ccc(cc12)OCCOCCOCCOCCOCCOCCO3,CI,0 | |
| Clc1cc(Cl)cc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1,CI,0 | |
| OCC12CCC(n3cnc4c(O)ncnc43)C1C2,CI,0 | |
| N=c1ccn(C2CCC3(CO)CC23)c(=O)[nH]1,CI,0 | |
| O=C1c2c(Br)sc(Br)c2C(NC(=O)C(F)(F)F)C1O,CI,0 | |
| C#CCn1c(=O)c2cc(OC)c(OC)cc2n(CC#C)c1=O,CI,0 | |
| CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(nc(OC)n(C)c2=O)N1,CI,0 | |
| CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(nc(SC)n(C)c2=O)N1,CI,0 | |
| [O-][n+]1cc(SCc2ccccc2)ncc1SCc1ccccc1,CI,0 | |
| COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCO)c2c1,CI,0 | |
| COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCC(=O)O)c2c1,CI,0 | |
| COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCN(C)C)c2c1,CI,0 | |
| CCN(CC)CCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12,CI,0 | |
| COc1ccc(Br)cc1-c1cc(Br)ccc1OC,CI,0 | |
| Cc1ccc(S(=O)(=O)CN2C(=O)C(c3ccccc3)(c3ccccc3)C23OC(c2ccc(Cl)cc2)=CC3=O)cc1,CI,0 | |
| Cc1ccc(C(=O)Cc2nc3c(nc2O)c(C)nn3-c2ccccc2)c(C)c1,CI,0 | |
| COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2)C1,CI,0 | |
| COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccc(C)cc2)C1,CI,0 | |
| COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccc([N+](=O)[O-])cc2)C1,CI,0 | |
| Cc1nn(-c2ccccc2)c2c1N=C(C(=O)O)CC(c1ccccc1)=N2,CI,0 | |
| Cc1ccc(C2=Nc3c(c(C)nn3-c3ccccc3)N=C(C(=O)O)C2)cc1,CI,0 | |
| O=C(C=C1Nc2ccccc2N=C1NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1,CI,0 | |
| Cc1ccc(C(=O)C=C2Nc3ccccc3N=C2NC23CC4CC(CC(C4)C2)C3)cc1,CI,0 | |
| Cc1ccc(CS(=O)(=O)CN=C2Sc3ccccc3NC2=CC(=O)c2ccc(Cl)cc2)cc1,CI,0 | |
| Cc1nn(-c2ccccc2)c2c1CC(=O)Nc1ccccc1-2,CI,0 | |
| COc1ccc2nc3ccccc3c(NCCCN(C)C)c2c1[N+](=O)[O-].Cl,CI,0 | |
| CCOC(=O)c1c(-c2ccccc2)c(C)cn1C,CI,0 | |
| CCc1cc2c(oc3c4ccccc4ccc23)c(O)n1,CI,0 | |
| CCc1cc2c(oc3cc(C)ccc32)c(=O)n1C,CI,0 | |
| O=C(O)C1(C(O)c2ccccc2)SCCCS1,CI,0 | |
| CC(C)C1NC(=O)C2N=C(OC2C)C(C(C)C)NC(=O)C2N=C(OC2C)C(C(C)C)NC(=O)C2N=C(OC2C)C(C(C)C)NC(=O)C2N=C1OC2C,CI,0 | |
| OC(c1cccs1)c1cc2ccccc2s1,CI,0 | |
| Cc1nc2cccc(F)c2c(=O)n1-c1nnc(C(F)(F)F)s1,CI,0 | |
| Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(OCC(=O)c3ccccc3)OCC(=O)c3ccccc3)O2)c(=O)[nH]c1=O,CA,1 | |
| CCOP(=O)(OCC)C(F)(F)Cc1cnc(C)c2c1COC(C)(C)O2,CI,0 | |
| Cc1cc(=O)n2ccnc2[nH]1,CI,0 | |
| [N-]=[N+]=CC(=O)C1CCN(c2ccccc2)C1=O,CI,0 | |
| COC(=O)c1ccccc1C#CCCCOS(C)(=O)=O,CI,0 | |
| O=C1C2C(C(=O)N1c1ccccc1)C1(c3ccccc3)CCC2(C(=O)c2ccccc2)O1,CI,0 | |
| O=C(O)CCCCCCCCCCCI,CM,1 | |
| CNC(=O)OC(C)CN1c2ccccc2Sc2ccc(Cl)cc21,CI,0 | |
| Clc1nc(Cl)nc(Nc2cccc3ccccc23)n1,CI,0 | |
| C[N+](C)(CCO)CCN1c2ccccc2Sc2ccccc21.[I-],CI,0 | |
| CCN(CC)CCNCc1cc(Cl)cc2c1OCOC2,CI,0 | |
| Br.CC(C)(CCCCC(C)(C)NC1=NCCO1)NC1=NCCO1,CI,0 | |
| c1ccc(C(NC2=NCCO2)c2ccccc2)cc1,CI,0 | |
| COc1ccc(N2C(=O)C3c4[nH]c5ccc(OCc6ccccc6)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1,CI,0 | |
| CCCCCCCC=[N+]1[N-]C(c2ccncc2)=[O+][Ni-2]12[O+]=C(c1ccncc1)[N-][N+]2=CCCCCCCC,CI,0 | |
| CC(=O)[OH+][Ni-4]1(O)(O)([n+]2ccccc2)[O+]=C(c2ccncc2)[N-][N+]1=Cc1ccoc1,CI,0 | |
| O[Zn-2]12[O+]=C([N-][N+]1=Cc1ccccc1)c1ccccc1[OH+]2,CI,0 | |
| COc1cccc(C=[N+]2[N-]C(c3ccncc3)=[O+][Co-4]2(O)(O)([OH+]C(C)=O)[n+]2ccccc2)c1,CI,0 | |
| CC(=O)[OH+][Co-3]12([OH+]c3ccccc3C=[N+]1c1ccc(S(=O)(=O)Nc3nccc(C)n3)cc1)[OH+]c1ccccc1C=[N+]2c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1,CI,0 | |
| CC(=O)[OH+][Co-3]12(Oc3ccccc3C=[N+]1c1ccc(S(=O)(=O)Nc3ncccn3)cc1)Oc1ccccc1C=[N+]2c1ccc(S(=O)(=O)Nc2ncccn2)cc1,CI,0 | |
| N#Cc1[nH]c(=O)n(-c2ccccc2)c1N,CI,0 | |
| N#Cc1[nH]c(=O)n(-c2ccc([N+](=O)[O-])cc2)c1N,CI,0 | |
| COc1ccc(-n2c(N)c(C#N)[nH]c2=O)cc1,CI,0 | |
| N#Cc1[nH]c(=O)n(-c2ccc(Cl)cc2)c1N,CI,0 | |
| C=CCNc1nc(C#N)c(N)s1,CI,0 | |
| O=C(NCCCCCN1CCC2(CCCCC2)CC1)C(c1ccccc1)C1CCCCC1.O=C(O)C(=O)O,CI,0 | |
| Cl.O=C(NCCCN1CC2CCCC2C1)C(c1ccccc1)c1ccccc1,CI,0 | |
| O=C1OC(c2ccccc2)c2ccsc2-n2cccc21,CI,0 | |
| Nc1ncnc2c1ncn2CC(=O)NCCCCO,CI,0 | |
| O=[N+]([O-])C1([N+](=O)[O-])CCC([N+](=O)[O-])([N+](=O)[O-])c2nn(-c3ccccc3)nc21,CI,0 | |
| n1nc2c([nH]1)c1nn[nH]c1c1nn[nH]c21,CI,0 | |
| NN=C1CCCc2nonc21,CI,0 | |
| C1CCCN(NC2=NCCO2)CC1,CM,1 | |
| COc1cc(OC)c(NC2=NCCO2)cc1Cl,CI,0 | |
| COc1ccc(OC)c(NC2=NCCO2)c1,CI,0 | |
| CSc1ccccc1NC1=NCCO1,CI,0 | |
| N#Cc1ccc(CSC2=C(c3ccc(Cl)cc3)SC(=C3SC(SCc4ccc(C#N)cc4)=C(c4ccc(Cl)cc4)S3)S2)cc1,CI,0 | |
| Oc1c(O)c(Cc2ccccc2)c(Cc2ccccc2)c(Cc2ccccc2)c1Cc1ccccc1,CI,0 | |
| Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cnc2cc(C(F)(F)F)ccc2c1O,CI,0 | |
| Cc1cc(NC2=NCCO2)c2c(c1C)CCCC2,CI,0 | |
| COc1cccc2c1C(=O)c1ccc3cc(CCl)cc(O)c3c1C2=O,CI,0 | |
| C=Cc1ccccc1C1(O)C=CC(OC)(OC)C=C1,CI,0 | |
| CC(C)Oc1ccc(CNC2=NCCO2)c2ccccc12,CI,0 | |
| O=CNNC(=O)Nc1ccc(Cl)cc1,CI,0 | |
| CCOc1ccc2ccccc2c1NC1=NCCO1,CI,0 | |
| c1cc2c(cc1NC1=NCCO1)OCO2,CI,0 | |
| CN(NC1=NCCO1)c1ccc2ccccc2c1,CI,0 | |
| CC(NC1=NCCO1)c1ccco1,CI,0 | |
| c1cc2c(c(NC3=NCCO3)c1)CCC2,CI,0 | |
| COc1ccc2c3c1OC1C4(OC)CCC5(CC4C(C)(C)O)C(C2)N(C)CCC315,CI,0 | |
| O=C(CC(O)(C(F)(F)F)C(F)(F)F)C(CCCl)C(O)(C(F)(F)F)C(F)(F)F,CI,0 | |
| CC[Pb](CC)(CC)OC(=O)COc1ccc(Cl)cc1Cl,CI,0 | |
| CCN(CC)CCC1CCCCN1CC(=O)N1c2cc(Cl)ccc2NC(=O)CC1C,CI,0 | |
| CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21,CI,0 | |
| C=C(Br)CNC(=O)Nc1ccc(Cl)c(Cl)c1,CI,0 | |
| CN(C)N=C1CCC(C(F)(F)F)(C(F)(F)F)O1,CI,0 | |
| CCOC(=O)NC1CN2CCC1CC2,CI,0 | |
| C1CCC(CC2CCC(NC3=NCCO3)CC2)CC1,CI,0 | |
| CN1CCCC1=NC#N,CI,0 | |
| Cc1ccc(Nc2nc(O)c3nc[nH]c3n2)cc1CO,CI,0 | |
| O=[N+]([O-])c1ccc(Cl)cc1C1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2,CI,0 | |
| Br.NC1NCCC(=O)N1CCc1c[nH]c2ccccc12,CI,0 | |
| C=CCC1(Sc2ccccn2)Sc2ccc3ccccc3c2-c2c(ccc3ccccc23)S1,CI,0 | |
| COc1cc(OC)c2nc(C)c3c(c2c1)SCC3,CI,0 | |
| Cc1nc2ccc(Cl)cc2c2c1CCN2c1ccc(F)cc1,CI,0 | |
| Cc1nn(-c2nc(O)c3c(n2)CCCC3)c(O)c1CCO,CI,0 | |
| Cc1nc2ccccc2c(-n2cccn2)c1CCn1cccn1,CI,0 | |
| Cc1ccc2ccc3c(-c4ccccc4)cc(C)nc3c2n1,CI,0 | |
| Cc1ccc2cc(NC(=O)CBr)c3ccc(C)nc3c2n1,CI,0 | |
| CC(=O)Nc1cc2ccc(C)nc2c2nc(C)ccc12,CI,0 | |
| Cc1ccc2cc(N)c3ccc(C)nc3c2n1,CI,0 | |
| Cc1nc2c(ccc3c(C)c(C)c(C)nc32)c(C)c1C,CI,0 | |
| Cc1ccc2cc(NC(=O)CN)c3ccc(C)nc3c2n1,CI,0 | |
| NC(=O)c1ncn(C2CCC(CP(=O)(O)O)C2)c1N,CI,0 | |
| Nc1ncnc2c1nnn2C1CCC(CP(=O)(O)O)C1,CI,0 | |
| Nc1ncnc2c1ncn2C1C=CC(COS(N)(=O)=O)C1,CI,0 | |
| CNc1ncnc2c1ncn2C1C=CC(COS(N)(=O)=O)C1,CI,0 | |
| CN(C)c1ncnc2c1ncn2C1C=CC(COS(N)(=O)=O)C1,CI,0 | |
| C#[N+]CCOP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)C=CC(CC)C(C)C)CCC32)C1,CA,1 | |
| O=C(O)c1c(O)ccc(O)c1C(=O)Nc1ccc(C=Cc2ccc(NC(=O)c3c(O)ccc(O)c3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CA,1 | |
| CN(C)C=Nn1c2ccccc2c2ccccc21,CI,0 | |
| CN(C)C=Nc1nnn[nH]1,CI,0 | |
| O=C(NCC(Cl)=CCl)Nc1cccc2c1CCCC2,CI,0 | |
| S=C=NCC(Cl)=CCl,CI,0 | |
| CC(NC1=NCCO1)c1cccc([N+](=O)[O-])c1,CI,0 | |
| COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1C(NC(C)=O)CC2,CI,0 | |
| CCN(CC)CCOC(NC(C)=O)(c1ccccc1)c1ccccc1,CI,0 | |
| CNC1(C#N)CCN(Cc2ccccc2)CC1,CI,0 | |
| CN(C)c1ccc(-c2nc(O)c3ccccc3[n+]2C)cc1,CI,0 | |
| COc1cc(C(=O)NC(CCN)(c2ccccc2)c2ccccc2)cc(OC)c1OC,CI,0 | |
| CC(=O)N(c1ccccc1)C1(c2nnnn2C2CCCCC2)CCN(Cc2ccccc2)CC1,CI,0 | |
| CC(=O)OC12c3ccccc3C(c3ccccc31)C1C(=O)N(N=C(C)C)C(=O)C12,CI,0 | |
| O=C(C(=O)c1cc(-c2ccccc2)nc2ccc3ccccc3c12)c1ccccc1,CI,0 | |
| C(=Nc1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1)c1ccccc1,CI,0 | |
| CC(=O)CCNc1ccc(-c2cc(-c3ccc(N(C)C)cc3)nc3ccc4ccccc4c23)cc1,CI,0 | |
| CC1(C)CC(=O)C2=C(C1)NC1=C(C2)C(=O)CC(C)(C)C1,CI,0 | |
| O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccc(Cl)cc1,CI,0 | |
| O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1cccc2ccccc12,CM,1 | |
| Cc1cc(Br)c(N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)c(Br)c1,CI,0 | |
| O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1cccc([N+](=O)[O-])c1,CI,0 | |
| O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccc([N+](=O)[O-])cc1,CI,0 | |
| O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccccc1C(=O)O,CI,0 | |
| O=C1NCC2(CCN(Cc3ccccc3)CC2)N1,CI,0 | |
| O=C1NC2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)Oc2ccccc21,CI,0 | |
| CN1c2ccccc2C(=O)NC12CCN(CCCC(=O)c1ccc(F)cc1)CC2.Cl,CI,0 | |
| Cl.O=C(CCCN1CCC2(CC1)NC(=O)c1ccccc1O2)c1ccc(F)cc1,CI,0 | |
| O=C1N=C(NC2CCCCC2)C2(CCN(CCc3ccccc3)CC2)N1c1ccccc1,CI,0 | |
| Cl.O=C(CCCN1CCc2[nH]c3cc(F)ccc3c2C1)c1ccc(F)cc1,CI,0 | |
| O=C(CCN1CCCC(O)C1COC(=O)C(O)(c1ccccc1)c1ccccc1)NCc1ccccc1,CI,0 | |
| O=C(OC1CCN(Cc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1,CI,0 | |
| CN1CCC=C(COC(=O)C(O)(c2ccccc2)C2CCCC2)C1.Cl,CI,0 | |
| COC(=O)c1ccc(N=NN(C)COc2ccc(C#N)cc2)cc1,CI,0 | |
| CN(C)c1nc(N(C)C)nc(N2C(=O)c3ccccc3C2=O)n1,CI,0 | |
| CN(C)c1nc(N(C)C)nc(N2C(=O)CCC2=O)n1,CI,0 | |
| CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)=C(C#N)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| CCC(CCCN)Nc1cc(OC)cc2c(C)ccnc12.O=P(O)(O)O,CI,0 | |
| COC(=O)CC1C=CC(C)(OC)OO1,CI,0 | |
| CC1(C)N=C(C2CCCN2C(=O)OCc2ccccc2)OC1=O,CI,0 | |
| Cl.O=C1CCCCCCCCCCC1CN1CCCC1,CI,0 | |
| C[CH-][Ge]([CH-]C)([CH-]C)[OH+]C(=O)C(OC(=O)C(F)(F)F)c1ccccc1,CI,0 | |
| C[N+](C)(C)C=Nc1cccc2c1CCCC2.[I-],CI,0 | |
| FC1(F)SC2CCCCCCCCCCC2C1(F)F,CI,0 | |
| CC1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2.Cl,CI,0 | |
| N#Cc1ccc(C(=O)C=Cc2ccc(O)c(O)c2)cc1,CI,0 | |
| C=C(C)C#CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1,CI,0 | |
| CCC(C)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl,CI,0 | |
| O=C(OC1CN2CCC1CC2)N(c1ccccc1)c1ccccc1,CI,0 | |
| CC#CC(O)(C#CC)C(=O)OC1CN2CCC1CC2,CI,0 | |
| C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)C(C)C,CI,0 | |
| CCN(CC)C(=O)N1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O.Cl,CI,0 | |
| CN1CCC(OC(=O)C2(O)c3ccccc3Oc3ccccc32)CC1,CI,0 | |
| CC#CC(O)(C(=O)OC1CCN(C)CC1)c1ccccn1,CI,0 | |
| Cl.O=C(OCCC1=C2CCN(CC2)C1)C(O)(c1ccccc1)C1CCCC1,CI,0 | |
| COc1ccc2[nH]cc(CN3CCC(CO)(c4ccccc4)CC3)c2c1,CI,0 | |
| Cn1c2ccccc2c2cc(N3CCCC3)c3c(c21)C(=O)N(c1ccccc1)C3=O,CI,0 | |
| c1csc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1,CI,0 | |
| CCN(CC)C1=N[N+]2=C(C)c3cccc[n+]3[Ni-4]234([SH+]1)[SH+]C(N(CC)CC)=N[N+]3=C(C)c1cccc[n+]14,CI,0 | |
| COC(OC)(c1ccccc1)C(I)I,CI,0 | |
| C=CC1(C)CCC2(C)C(CCC3(C)C2CC(O)C(O)C3(C)O)C1,CI,0 | |
| C=CC1(C)CC2(C=C(CO)C(O)O2)Oc2c1c(=O)oc1cccc(C)c21,CI,0 | |
| C=C(C)C(=O)OC1CC(COC(C)=O)C2CC=C(CO)C2C2OC(=O)C(=C)C12,CI,0 | |
| COC(=O)C=C(C(=O)OC)c1c(C)cc2c(C)cc(C)cc(C)c1-2,CI,0 | |
| NC1=C(c2nc(-c3ccccc3)cs2)C(c2ccc(Br)cc2)c2c(c3ccccc3oc2=O)O1,CI,0 | |
| NC1=C(c2nc(-c3ccccc3)cs2)C(c2ccco2)c2c(c3ccccc3oc2=O)O1,CI,0 | |
| [N-]=[N+]=NC1=NNC2(C(=O)N1)c1ccccc1-c1ccccc12,CI,0 | |
| COc1cc(C=C2N=C(c3ccccc3)N(C3=NNC4(C(=O)N3)c3ccccc3-c3ccccc34)NC2=O)ccc1O,CI,0 | |
| CC1C(c2ccc(Cl)cc2)c2cc3c(cc2OC1N1CCOCC1)OCO3,CI,0 | |
| O=C(OCCc1ccccc1)c1cc2ccc(O)c(O)c2cn1.O=S(=O)(O)O,CI,0 | |
| N=c1oc2c(O)c(O)ccc2cc1C(N)=O,CI,0 | |
| Cc1c[n+]2c3c(ccc4c(C)c(C)c[n+](c43)[Cu-3]23[n+]2cc(C)c(C)c4ccc5c(C)c(C)c[n+]3c5c42)c1C.O=C1OC(C(O)C[O-])C(O)=C1O,CI,0 | |
| COc1ccc(CCN2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1OC,CI,0 | |
| N=C(N)n1nc2c(c1O)CCC2,CI,0 | |
| COc1ccc(C=NNc2nc3ccccc3c(=O)n2-c2ccccc2)cc1,CI,0 | |
| O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CA,1 | |
| O=C1OCC2(CO1)CC1C=CC2C1,CI,0 | |
| COC(=O)C1C2CC3C1C3C2C(=O)OC,CI,0 | |
| CC(=O)OC1C2CCC3CC2C2(SCCS2)C31,CI,0 | |
| O=C(O)C1C2CC3C(C2=O)C31,CI,0 | |
| COC(=O)C1C2CC3C(C2=O)C31,CI,0 | |
| COC(=O)CC1C2CC3C(C2=O)C13,CI,0 | |
| CC1C2CC3(CC(=O)O2)C(C)CC(O)C3(O)C1(C)CO,CI,0 | |
| O=C1C(=Nc2ccccc2)Oc2cc(O)ccc21,CI,0 | |
| COC(=O)C1CC2(CCC1=O)Cc1ccccc1C2=O,CI,0 | |
| O=C1CCC2=C(CCC2)N1CCc1ccc2c(c1)OCO2,CI,0 | |
| O=C1CCCC2C(O)CCCC12,CI,0 | |
| CC=CC1(OC(=O)c2ccccc2)CC2CCCCC21,CI,0 | |
| O=c1[nH]c(=S)c2cncnc2n1C1OC(CO)C(O)C1O,CI,0 | |
| COC1(C(C)(C)C)C=C(C(C)(C)C)P(=O)(O)O1,CI,0 | |
| C1CCCCC2(CCCCCCCCC3(CCC1)OCCO3)OCCO2,CI,0 | |
| CC1(C)CS(=O)(=O)CC(C)(C)C(=NN)C1=NN,CI,0 | |
| O=C(O)CCC1(CCC(=O)O)CCCCCCCCC(CCC(=O)O)(CCC(=O)O)C(=O)C1=O,CI,0 | |
| N#CCCC1(CCC#N)CCCCCCCCC(CCC#N)(CCC#N)C(=O)C1=O,CI,0 | |
| O=C1C(=O)C(CCCO)(CCCO)CCCCCCCCC1(CCCO)CCCO,CI,0 | |
| N#CCCC1(CCC#N)CCCCCCCCC(CCC#N)(CCC#N)C(O)C1O,CI,0 | |
| C=CC1(C)CC2CCC3(C)C(C)=CC(=O)CC3C2(C)CC1O,CI,0 | |
| COc1cc(CCCOC(=O)C=Cc2ccc(O)c(O)c2)cc(O)c1O,CI,0 | |
| C=C(COC(=O)C(C)C)C1Oc2ccc(C(C)=O)cc2C1OC(=O)C(C)C,CI,0 | |
| CC1(C)Oc2ccc3ccc(=O)oc3c2C(OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)C1OC(=O)C12CCC(C)(C(=O)O1)C2(C)C,CA,1 | |
| OCC1CC2Cc3ccccc3N2N1,CI,0 | |
| Cl.O=C1C(CN2CCCC2)CCC1CN1CCCC1,CI,0 | |
| CCCCCCCCCCCCCCCC1(OC)C[N+](C)(C)CCO1.[I-],CI,0 | |
| N#Cc1c(NC(=S)NC(=O)c2ccccc2)nc2c(c1-c1ccccc1)CCCC2,CI,0 | |
| N#Cc1c(NC(=S)NC(=O)c2ccccc2)nc2c(c1-c1ccccc1)CCC2,CI,0 | |
| Nc1nc(S)nc2nc3c(c(-c4ccccc4)c12)CCCC3,CI,0 | |
| CSc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)CCCC3,CI,0 | |
| Nc1nc(SCC(=O)c2ccccc2)nc2nc3c(c(-c4ccccc4)c12)CCCC3,CI,0 | |
| CCSc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)CCC3,CI,0 | |
| CCSc1nc(N)c2c(-c3ccc(OC)c(OC)c3)c3c(nc2n1)CCCC3,CI,0 | |
| COc1ccc(-c2c3c(nc4nc(SCC(=O)c5ccc(Br)cc5)nc(N)c24)CCCC3)cc1OC,CI,0 | |
| COc1ccc(-c2c(-c3ccccc3)c(C)nc3nc(S)nc(S)c23)cc1OC,CI,0 | |
| OC1NC2Nc3ccccc3NC2NC1O,CI,0 | |
| CCOC(=O)Cc1cc(=O)oc2cc(O)ccc12,CI,0 | |
| N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(=O)oc2cc(O)ccc12,CI,0 | |
| O=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12.[NaH],CI,0 | |
| O=C1OCc2c(O)nc(O)nc21,CI,0 | |
| O=NC1C(=O)NC(=O)NC1=O,CI,0 | |
| Cc1nc(O)nc(O)c1CO,CI,0 | |
| Cc1ccc2c(c1-c1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O,CI,0 | |
| Oc1nc2nc3ccccc3nc2nc1O,CI,0 | |
| O=Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)o1,CI,0 | |
| O=C(O)Cc1c(-c2ccc([N+](=O)[O-])cc2)c(=O)oc2cc(O)ccc12,CI,0 | |
| O=C1CC(c2ccccc2)S(=O)c2ccccc2N1,CI,0 | |
| O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1N=NNCCc1ccccc1,CI,0 | |
| O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1OCCCc1ccccc1,CI,0 | |
| O=C1NC(=O)C2C(OCC3OC2C(O)C3O)C1OCC1CCCCC1,CI,0 | |
| CSC(SC)=C(C(=O)O)P(=O)(O)O,CI,0 | |
| CC(=O)c1cc2ccccc2[n+]([O-])c1N,CI,0 | |
| O=C1c2ccccc2NC(=O)C2C1C(c1ccccc1)CC2(O)c1ccccc1,CI,0 | |
| Cc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1C1OC(CO)C(O)C(O)C1O,CI,0 | |
| OCC1OC(NC(=S)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(O)C1O,CI,0 | |
| O=CC(O)C(O)C(O)C(O)COC(=O)NCCCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,CI,0 | |
| COC1=CC2=CCC3C(CCC4(C)C(C(C)=O)CCC34)C2(C)CC1,CI,0 | |
| COC(=O)c1cc(C(=CCCC(C)C2CCC3C4CCC5CCCCC5(C)C4CCC23C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0 | |
| CCCCCC=C(c1cc(Br)c(OC)c(C(=O)O)c1)c1cc(Br)c(OC)c(C(=O)O)c1,CI,0 | |
| CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)NO)c1)c1cc(Cl)c(OC)c(C(=O)NO)c1,CI,0 | |
| CN(C)c1cc[n+](-c2nc([N-]C(=O)C(F)(F)F)nc3c2ncn3C2CC(O)C(CO)O2)cc1,CI,0 | |
| Cc1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N,CI,0 | |
| CC(=O)OCC1OC(N2C(c3ccccc3)=CC(c3ccco3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CM,1 | |
| CC(=O)OCC1OC(N2C(c3ccccc3)=CC(c3cccs3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CM,1 | |
| Cc1ccc(S(=O)(=O)Oc2nc3ccccc3nc2N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CI,0 | |
| Oc1ncc(CCl)c(O)n1,CI,0 | |
| CCN1c2nc3ccccc3nc2N(CC)c2nc3ccccc3nc21,CI,0 | |
| Cc1ccc(S(=O)(=O)Oc2nc3nc4ccccc4nc3nc2OS(=O)(=O)c2ccc(C)cc2)cc1,CI,0 | |
| CN1CC(Br)(Br)C(=O)N(C)C1=O,CI,0 | |
| Oc1nc2nc3ccccc3nc2nc1O.[KH],CI,0 | |
| CC1(Cl)C(=O)NC(=O)NC1O,CI,0 | |
| c1ccc([B-]2(c3ccccc3)NCCC[OH+]2)cc1,CI,0 | |
| CC(=NNC(=S)NCCCNC(=S)NN=C(C)c1ccccn1)c1ccccn1,CI,0 | |
| CC(=NNC(=S)N(C)C)c1ccccc1O,CI,0 | |
| COC(=O)CNC(=O)C(C)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,CI,0 | |
| O=C(NCC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1,CI,0 | |
| COC(=O)C(Cc1ccccc1)C(=O)NC(CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0 | |
| CCOC(=O)CNC(=O)C(C)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C,CI,0 | |
| CC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)NCC(=O)ON1C(=O)CCC1=O,CI,0 | |
| O=C(O)CC(NC(=O)C(F)(F)F)C(=O)NC1Cc2ccccc2OC1=O,CI,0 | |
| CC(Oc1ccccc1)C(=O)NN,CI,0 | |
| CCOC(=O)c1cc2c(nc1N)C(=Cc1ccccc1)CCCC2,CI,0 | |
| CCOC(=O)c1cc2c(nc1NCc1ccc(OC)c(OC)c1)C(=Cc1ccccc1)CCCC2,CI,0 | |
| C=C1CC(Cn2cc(Br)c(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O,CI,0 | |
| C=C1CC(C)(COc2ccc3ccc(=O)oc3c2)OC1=O,CI,0 | |
| C=C1CC(C)(COc2ccc3c(C)cc(=O)oc3c2)OC1=O,CI,0 | |
| C=C1CC(C)(COc2ccc3c(C)c(Cl)c(=O)oc3c2)OC1=O,CI,0 | |
| COc1ccccc1NC(=S)NN=Cc1ccccn1,CI,0 | |
| COc1ccc(NC(=S)NN=Cc2ccccn2)cc1,CI,0 | |
| COc1cc(CNc2nc3ccccc3n2Cc2ccccc2)cc(CN2CCOCC2)c1O.Cl,CI,0 | |
| CC=C1CNC1C(=O)O,CI,0 | |
| CC(C)(C)OC(=O)C1C(=CCO)CN1C(=O)OC(C)(C)C,CI,0 | |
| CC(C)(C)OC(=O)C1C(=CCBr)CN1C(=O)OC(C)(C)C,CI,0 | |
| CC=C1CN(C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C,CI,0 | |
| O=c1c(-c2c(-c3ccccc3)oc3ccc(Cl)cc3c2=O)c(-c2ccccc2)oc2ccc(Cl)cc12,CI,0 | |
| COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CI,0 | |
| Cl.Cn1cc(NC(=O)c2cc(=N)[nH]n2C)cc1C(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[KH],CI,0 | |
| CC(CCc1nc2ccccc2o1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CI,0 | |
| C[N+]1(C2=C([O-])C(F)(F)C2=O)CCOCC1,CI,0 | |
| CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O,CI,0 | |
| Cl.NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,CI,0 | |
| COC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)OCc1ccccc1,CI,0 | |
| O=C(NC(Cc1c[nH]cn1)C(=O)N1CCCC1)C1CCCC1,CI,0 | |
| COc1ccccc1C=NNc1nnc2c3ccccc3c3ncccc3c2n1,CI,0 | |
| COC(=O)C1CCOC(C)N1C(=O)OC(C)(C)C,CI,0 | |
| COc1cc(C=CC=C2CCCC(=CC=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,CI,0 | |
| [N-]=[N+]=Nc1c(C=O)c(=O)n(-c2ccccc2)c2ccccc12,CI,0 | |
| CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1cccc2cnccc12)CCC(=O)ON1C(=O)CCC1=O,CI,0 | |
| O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCCC1,CI,0 | |
| COc1ccc(COC(=O)NNC(=O)C2CSC(c3ccccc3)N2C(C)=O)cc1,CI,0 | |
| CC(=O)N1C(C(=O)NN2CCOCC2)CSC1c1ccccc1,CI,0 | |
| CN(N=Cc1ccccn1)C1=NCCCN1.I,CI,0 | |
| I.S=C(NNC1=NCCCN1)Nc1ccccc1,CI,0 | |
| COc1ccccc1C1C2=C(COC2=O)OC(C)(C)Oc2cc3c(cc21)OCO3,CI,0 | |
| Cc1nc(NCCNCCO)nc2c1C(=O)Nc1ccccc1N2,CI,0 | |
| Cn1c2ccccc2c(=O)c2[nH]c3ccccc3c21,CI,0 | |
| COc1ccc(CC2NC(=O)C3CCCN3C2=O)cc1,CI,0 | |
| O=C1NC(Cc2ccc(Cl)cc2)C(=O)N2CCCC12,CI,0 | |
| O=C1NC(Cc2ccc([N+](=O)[O-])cc2)C(=O)N2CCCC12,CI,0 | |
| c1cc2nnc1SCCSCCSCCSc1ccc(nn1)SCCSCCSCCS2,CI,0 | |
| COP(=O)(OC)C(N)Cc1c[nH]c2ccccc12,CI,0 | |
| COP(C)(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1,CI,0 | |
| CCOP(=O)(CN=C(c1ccccc1)c1ccccc1)OCC,CI,0 | |
| CSCCC(NOC(=O)Cc1ccccc1)P(=O)(O)c1ccccc1,CM,1 | |
| CCC(NC(C)c1ccccc1)C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.Cl,CI,0 | |
| O=C(NC1CCCC1C(=O)Nc1ccc(C(F)(F)F)cc1)OCc1ccccc1,CI,0 | |
| CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(N)=O,CI,0 | |
| OC1CN2CCCCC2C(O)C1O,CI,0 | |
| CCOC(=O)C(CCSC)(CCSC)C(=O)OCC,CI,0 | |
| CSC(SC)=C(C(=O)c1ccc(Cl)cc1)n1c(=O)sc2cc(Br)ccc21,CI,0 | |
| CSc1cc(Br)ccc1-n1c(C(=O)c2ccccc2)c(SC)n(-c2ccccc2)c1=O,CI,0 | |
| C#CCC(O)c1ccc(OC)c(OCc2ccccc2)c1,CI,0 | |
| CC1SCc2nc3ccccc3n21,CI,0 | |
| CC1(C)SCc2nc3ccccc3n21,CI,0 | |
| CCC1(CC)SCc2nc3ccccc3n21,CI,0 | |
| CC(C)C1SCc2nc3ccccc3n21,CI,0 | |
| Cc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0 | |
| Cc1ccc2c(c1)nc1n2C(c2c(F)cccc2F)SC1,CI,0 | |
| CSC1=C(c2ccc(Cl)cc2)SC(N2CCCCC2)N1c1ccc([N+](=O)[O-])cc1,CI,0 | |
| COc1cc2c3c(c1)SC(C)C(=O)N3CCN2,CI,0 | |
| c1ccc(CC2COC(c3cccs3)=N2)cc1,CI,0 | |
| CCOC(=O)N(C)C(=C(F)F)C(F)(F)F,CI,0 | |
| O=C(OCCN=C1c2ccccc2CCc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CI,0 | |
| O=C(OCCN=c1c2ccccc2ccc2ccccc12)c1ccccc1,CI,0 | |
| O=C(OCCN=c1c2ccccc2ccc2ccccc12)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| [I-].c1ccc([P+](CCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| Cc1cc(C)c(OC(=O)Nc2cccc3ccccc23)c(-c2ccccc2)c1,CI,0 | |
| CC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C,CI,0 | |
| CN(C)CCOC1(Cc2ccc(F)cc2)CCC(C(C)(C)C)CC1.O=C(O)C=CC(=O)O,CI,0 | |
| CN(C)CCOC1(Cc2ccc(Cl)cc2Cl)CCC(C(C)(C)C)CC1.Cl,CI,0 | |
| CN(C)CCOC1(CC2CCCCC2)CCC(C(C)(C)C)CC1.O=C(O)C=CC(=O)O,CI,0 | |
| CC1(C)CNCC(C)(OCCCOC2(C)CNCC(C)(C)NC2=O)C(=O)N1,CI,0 | |
| NC(=O)C(=O)c1ncn(Cc2ccccc2)c1N,CI,0 | |
| CC1(C)N=c2c(ncn2Cc2ccccc2)=C(C(N)=O)N1,CI,0 | |
| CC1(C)N=c2c(ncn2CCO)=C(C(N)=O)N1,CI,0 | |
| COc1ccc(-n2cnc3c2=NC(C)(C)NC=3C(N)=O)c(OC)c1,CI,0 | |
| CC1(C)N=c2c(ncn2N)=C(C(N)=O)N1,CI,0 | |
| c1ccc2c(c1)c1c(n2CCOCCN2CCCCC2)CCCC1,CI,0 | |
| CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)O)c3C1)CCCC4)CCCC2.CC(N)c1ccccc1,CI,0 | |
| CCc1cc2c(cc1CCCC(=O)O)CC1(Cc3ccc(C(=O)O)cc3C1)C2,CI,0 | |
| CCOC(=O)C(C#N)=Cc1ccc2c(c1)CC1(C2)Cc2cc(CC)c(C(C)O)cc2C1,CI,0 | |
| CCc1cc2c(cc1C(=O)CCC(=O)O)CC1(C2)Cc2cc(CC)c(C(=O)CCC(=O)O)cc2C1,CI,0 | |
| Cc1cccc2c1CC1(C2)Cc2c(C)cccc2C1=O,CI,0 | |
| CCOC(=O)C1(Cc2ccc(C)cc2)Cc2ccc(C)cc2C1=O,CI,0 | |
| COC(=O)C1(Cc2ccccc2)Cc2ccccc2C1,CI,0 | |
| Nc1nc(SC2CCCCC2)nc2c1ncn2C1OC(CO)C(O)C1O,CI,0 | |
| CCOC(=O)NN(C(=O)OCC)c1ccc(N=Nc2ccc(OC)cc2)n1C,CI,0 | |
| O=C1CCCc2ccc3c(c21)CC1(Cc2ccccc2C1)C3,CI,0 | |
| CC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)C(=O)CC3,CI,0 | |
| CCc1cc2c(c3c1CCC3=O)CC1(Cc3ccc(C)cc3C1)C2,CI,0 | |
| O=Cc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0 | |
| COC(=O)C=Cc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0 | |
| O=C(O)C=Cc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0 | |
| O=C(O)CCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0 | |
| COC(=O)CCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0 | |
| COC(=O)CCC(=O)c1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0 | |
| COC(=O)CCCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2,CI,0 | |
| O=Cc1ccc2c(c1)CC1(C2)Cc2ccc(C=O)cc2C1,CI,0 | |
| COC(=O)C=Cc1ccc2c(c1)CC1(C2)Cc2ccc(C=CC(=O)OC)cc2C1,CI,0 | |
| COC(=O)CCc1ccc2c(c1)CC1(C2)Cc2ccc(CCC(=O)OC)cc2C1,CI,0 | |
| COC(=O)CCC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc(C(=O)CCC(=O)OC)cc2C1,CI,0 | |
| CCc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCCC4)CCCC2,CI,0 | |
| O=C(O)CCCc1ccc2c(c1)CC1(C2)Cc2ccc(CCCC(=O)O)cc2C1,CI,0 | |
| COC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCC4)CCC2,CI,0 | |
| O=Cc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C=O)c3C1)CCC4)CCC2,CI,0 | |
| OCc1c2c(cc3c1CC1(C3)Cc3cc4c(c(CO)c3C1)CCC4)CCC2,CI,0 | |
| CC(O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)O)c3C1)CCC4)CCC2,CI,0 | |
| COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C)c4C1)CCC5)C3)CCC2,CI,0 | |
| COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C=O)c4C1)CCC5)C3)CCC2,CI,0 | |
| CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2,CI,0 | |
| COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2,CI,0 | |
| O=C1c2cc3c(cc2CC12Cc1ccc4c(c1C2=O)CCC4)CCC3,CI,0 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC(OP(=O)(O)OCCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N,CI,0 | |
| COc1cc2c3c(c1)nc(C)n3C(=O)CS2,CI,0 | |
| CC(c1ccccc1)n1c2ccccc2c2c(N)ncnc21,CI,0 | |
| Cl.O=C1CCCC1CN1CCOCC1,CI,0 | |
| CC1Cc2c(-c3cc(-c4cc(-c5c(O)cc(O)c6c5CC(C)NC6C)c5ccccc5c4O)c(O)c4ccccc34)c(O)cc(O)c2C(C)N1.O=C(O)C(F)(F)F,CM,1 | |
| CC(C)N(CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(C)C.CS(=O)(=O)O,CI,0 | |
| CC(=O)C(N=Nc1nc2ccccc2[nH]1)C(C)=O,CI,0 | |
| N#Cc1c(N2CCCC2)nsc1NCc1ccccc1,CI,0 | |
| O=C(CCc1ccccc1)n1cccc1CO,CI,0 | |
| [N-]=[N+]=NCC1OCOC(CN=[N+]=[N-])C2OCCOCCOc3ccccc3OCCOCCOC12,CI,0 | |
| O=C1CCC2(c3ccc(Cl)cc3)SCCN12,CI,0 | |
| CCOC(=O)c1c(SC(=O)C=Cc2ccccc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O,CI,0 | |
| CCN(CC)CCN(C(=Nc1ccccc1)N1CCCCC1)c1ccccc1,CI,0 | |
| ClCc1c(-c2ccccc2)nn(-c2ccccc2)c1CCl,CI,0 | |
| C[N+]([O-])(CCCl)CCCn1ccnc1[N+](=O)[O-].Cl,CI,0 | |
| COc1ccc(OC)c2c1ccc1c(C)c3ccccc3c(C)c12,CI,0 | |
| O=C1NC(=S)N(c2ccccc2)C1=O,CI,0 | |
| NS(=O)(=O)c1ccc(N2C(=O)C(=O)N(c3ccccc3)C2=S)cc1,CI,0 | |
| COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccccc3[N+](=O)[O-])C(=S)N2c2ccc(OC)cc2)cc1,CI,0 | |
| N=C1N(N=Cc2ccccn2)C(=Nc2ccccc2)C(=S)N1c1ccccc1,CI,0 | |
| COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccccc3)C(=S)N2N=C=C2Sc3ccccc3N2C)cc1,CI,0 | |
| Cc1ccc(N=C2SC(=NN(C)C)SC2=Nc2ccc(C)cc2)cc1,CI,0 | |
| Br.S=C=Nc1ccc(CSc2nc3ccccc3[nH]2)cc1,CI,0 | |
| C=CC1(c2ccc(Br)cc2)OCCCO1,CI,0 | |
| CCOC=C(C(=O)OC)S(=O)(=O)c1ccc(C)cc1,CI,0 | |
| CCn1c(=O)c2nc(SC)sc2n(-c2ccccc2)c1=O,CI,0 | |
| CCOC(=O)Cn1c(=O)c2nc(SC)sc2n(-c2ccccc2)c1=S,CI,0 | |
| O=C(NN=CC(F)(F)F)c1ccncc1,CI,0 | |
| COc1cc(C2CC(=O)CC(c3cc(OC)c(OC)c(OC)c3)C23C(=O)c2ccccc2C3=O)cc(OC)c1OC,CI,0 | |
| Cn1c(CCC2(C)Cc3ccccc3C(=O)O2)cc2ccccc2c1=O,CI,0 | |
| Cc1n2[nH]c(=N)sc2n[n+]1CC(=O)c1ccccc1.[Br-],CI,0 | |
| NN1C(c2ccccc2)=N[NH+]2C1=[S+][Fe-2]21[S-2][Fe-2]2([S+]=C3N(N)C(c4ccccc4)=N[NH+]32)[S-2]1,CI,0 | |
| c1ccc2sc(SSSSc3nc4ccccc4s3)nc2c1,CI,0 | |
| CCOC(=O)NC(NCC(O)c1ccccc1)(C(F)(F)F)C(F)(F)F,CI,0 | |
| CCCCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(F)(F)F)C(F)(F)F,CI,0 | |
| CCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F,CI,0 | |
| CCCCOC(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F,CI,0 | |
| CC1CN=C(Nc2ccc(S(N)(=O)=O)cc2)S1,CI,0 | |
| C=C1CN=C(Nc2ccc(F)cc2F)S1,CI,0 | |
| CCC1(COC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)COC1,CI,0 | |
| O=C(O)c1ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1,CI,0 | |
| CCOC(=O)C(NC(=O)CC)(Nc1ccccc1OC)C(F)(F)F,CI,0 | |
| O=C(O)c1cc(O)nc(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(C(=O)O)cc(O)nc3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH],CI,0 | |
| Cc1ccc(C(=O)OCC2CCC(n3cc(N(C)C4CCCCC4)c(=O)[nH]c3=O)O2)cc1,CI,0 | |
| CSc1ncnc2c1ncn2CCC(=O)OC(C)(C)C,CI,0 | |
| CC(=CCNc1nc(Cl)nc2nc[nH]c12)CO,CI,0 | |
| CN(C)c1cccc2c1C(=O)C=CC21CCc2ccc(N(C)C)c3c(N(C)C)ccc1c23,CI,0 | |
| O=C1Cc2c([nH]c3cc(Br)ccc23)-c2ccccc2N1,CI,0 | |
| CCOC(=O)C1=NN(c2ccccc2)C2=CC(C)=NN(C)C(=S)N21,CI,0 | |
| CCC1(CC)OC(C(O)CCc2ccccc2O)C(C(O)CCc2ccccc2O)O1,CI,0 | |
| CC(CN(C)C)OCCn1c2c(c3ccccc31)CCCC2,CI,0 | |
| CCCC1(CCC)c2cc(C=NO)ccc2-c2ccc(-c3ccc(C(C)(C)C)cc3)cc21,CI,0 | |
| CCc1ccc2oc(-c3cc(O)c(-c4nc5cc(CC)ccc5o4)cc3O)nc2c1,CI,0 | |
| Cn1c(=O)c(Br)c(C=O)n(CCO[N+](=O)[O-])c1=O,CI,0 | |
| CC(C)SC(NC(=O)C1C(C)(C)CCC1(C)C)C(=O)O,CI,0 | |
| CC(NC(=O)C(C)(C)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O,CI,0 | |
| CC(C)(C)OC(=O)NCCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,CI,0 | |
| COC(=O)C1(NC(=O)C(Cc2ccccc2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCC1,CI,0 | |
| CC(=O)OCC(OC(C)=O)C(OC(C)=O)C1OCC2CC(C1OC(C)=O)N(Cc1ccccc1)O2,CI,0 | |
| COCC1c2cc(O)c(OCc3ccccc3)cc2OC1c1ccc(OC)cc1,CI,0 | |
| COc1ccc2c(c1)OCC1c3cc(O)c(OCc4ccccc4)cc3OC21C,CI,0 | |
| c1nncn1C12C3C4C5C3C1C5C42,CI,0 | |
| CC(C)(C)COC(=O)C(C)(C)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,CI,0 | |
| COc1ccc(C(C)NNC(=O)c2ccncc2)cc1OC,CI,0 | |
| CNC(=O)OCc1cc(C(=O)NCCCNCCCNC(=O)c2ccc([N+](=O)[O-])c(COC(=O)NC)c2)ccc1[N+](=O)[O-].Cl,CI,0 | |
| CCOP(=O)(OCC)C(C#N)=Cc1ccc(-c2ccc(F)cc2F)o1,CI,0 | |
| Oc1nc2ccc(C(F)(F)F)cc2nc1-c1ccccc1,CI,0 | |
| CC1(CF)SCc2nc3ccccc3n21,CI,0 | |
| O=c1c2c3c(sc2nc2n1N=C(c1ccc(Br)cc1)CS2)CCCC3,CI,0 | |
| COc1cc2c3c(c1)nnn3C(=O)C(c1ccccc1)S2,CI,0 | |
| COc1cc(NC=O)c2c(c1)SC(C)C(=O)N2,CM,1 | |
| CC(=O)N1c2ccccc2C2=NN=C(N(C)C)SC21,CI,0 | |
| CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCn4ccc(CO)c4CO)cn3C)cn2C)cn1C,CI,0 | |
| CC(=O)Oc1ccc(-c2cc3ccccc3oc2=O)cc1OC(C)=O,CI,0 | |
| CC(=O)Oc1ccc2cc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)c(=O)oc2c1,CI,0 | |
| CC(=O)Oc1ccc(-c2cc3ccccc3oc2=O)cc1,CI,0 | |
| CC(=O)Oc1ccc(-c2cc3ccc(OC(C)=O)cc3oc2=O)cc1,CI,0 | |
| CC(=O)Oc1ccccc1-c1cc2ccccc2oc1=O,CI,0 | |
| COc1ccc2c(c1)OCC1c3cc(NS(=O)(=O)c4ccccc4)cc(OCc4ccccc4)c3OC21,CM,1 | |
| CCCCNC1CCC2(SCCS2)c2[nH]c3ccccc3c21,CI,0 | |
| O=C(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1C(=O)O.[NaH],CA,1 | |
| Cc1cc(=O)oc2c(CNC(C(=O)O)C(C)O)c(O)ccc12,CI,0 | |
| CSCCC(NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O,CI,0 | |
| CC(C)C(NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O,CI,0 | |
| COc1ccc2nc3cc(Cl)ccc3c(NCCNCCCNC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2c1,CI,0 | |
| Cn1c(=O)c2nc(N=Nn3ccc4ccccc43)[nH]c2n(C)c1=O,CI,0 | |
| COc1cc(C2c3cc4c(c(O)c3C(=O)C3CCC(=O)N32)OCO4)cc(OC)c1OC,CI,0 | |
| CC(=O)NCCc1c[nH]c2ccc(Cl)cc12,CI,0 | |
| Cc1cc(N=C2C=C(O)C(=O)c3ccccc32)no1,CI,0 | |
| Cc1oncc1N=C1C=C(O)C(=O)c2ccccc21,CI,0 | |
| Cc1ccc(S(=O)(=O)OC2=CC(=Nc3onc(C)c3C)c3ccccc3C2=O)cc1,CI,0 | |
| CC(CN(C)C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12,CI,0 | |
| CC(C)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,CI,0 | |
| CCCCCCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,CI,0 | |
| O=[N+]([O-])c1cccc2nc3ccccc3c(NCCNCCO)c12,CI,0 | |
| COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCN(CCO)CCO)c2c1,CI,0 | |
| CCCCCCNCCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12,CI,0 | |
| COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCNCCO)c2c1,CI,0 | |
| COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCNCCN(C)C)c2c1,CI,0 | |
| COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCCO)c2c1,CI,0 | |
| COc1ccc2nc3cccc([N+](=O)[O-])c3c(NC(C)CN(C)C)c2c1,CI,0 | |
| COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCCCCC(=O)O)c2c1,CI,0 | |
| CNCCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12,CI,0 | |
| COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCCCCN(C)C)c2c1,CI,0 | |
| COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCO)c2c1,CI,0 | |
| COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCCN(CCO)CCO)c2c1,CI,0 | |
| COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCCN(C)C)c2c1,CI,0 | |
| c1ccc(C2=NOC3(c4ccccc4)CC(c4cccs4)Sc4ccccc4N23)cc1,CI,0 | |
| CCCCNC(=S)NN=Cc1cccc(C)n1,CI,0 | |
| CS(=O)(=O)Nc1ccc2ccccc2c1,CI,0 | |
| O=C1C2C=CC1C1C(=O)OC(=O)C21,CI,0 | |
| Cc1cc(S(=O)(=O)Nc2nnc3cc(C(F)(F)F)cc(C)n23)c(S)cc1Cl,CM,1 | |
| O=C1OC2C(I)C3C4CCC3C2C14,CI,0 | |
| COC(=O)C1(SC)C2CCC3C2CCC31,CI,0 | |
| O=C1CCCCc2cccc(O)c21,CI,0 | |
| CCCCON1CC(O)C(O)C(O)C1,CI,0 | |
| COc1ccc(C=C2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2)cc1OC,CI,0 | |
| Cl.O=C(NCCCN1CCN(CCCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1)c1cc(-c2ccccc2)nc2ccccc12,CI,0 | |
| COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1OC(n2cc(Br)c(=O)[nH]c2=O)CC1O,CI,0 | |
| BC(=O)NC(CC(C)C)C(=O)NCC(=O)NC1c2ccsc2C(=O)C1O.CN(C)C,CI,0 | |
| Cc1nc2c(-c3ccccc3)[nH]c(C)c2c(=O)o1,CI,0 | |
| Cc1nc2sc(C)c(C)c2c(=O)o1,CI,0 | |
| CC(C)(C)OC(=O)N1CCc2[nH][nH]c(=O)c2C1,CI,0 | |
| O=C(Cn1c(C(=O)c2ccccc2)nc2ccccc21)c1ccc(Cl)cc1,CI,0 | |
| Oc1cc(-c2ccccc2)cn2c1nc1ccccc12,CI,0 | |
| Cc1ccc(-c2cc(O)c3nc4ccccc4n3c2)cc1,CI,0 | |
| Oc1cc(-c2ccc(Cl)cc2)cn2c1nc1ccccc12,CI,0 | |
| COc1ccc(-c2cc(O)c3nc4ccccc4n3c2)cc1,CI,0 | |
| O=[N+]([O-])c1ccc(-c2cc(O)c3nc4ccccc4n3c2)cc1,CI,0 | |
| Cc1c(-c2ccccc2)cc(O)c2nc3ccccc3n12,CI,0 | |
| COc1cc(-c2ccccc2)cn2c1nc1ccccc12,CI,0 | |
| Cc1nc(-c2ccccc2)cn2c1nc1ccccc12,CI,0 | |
| Cc1ccc(-c2cn3c(nc4ccccc43)c(C)n2)cc1,CI,0 | |
| Cc1nc(-c2ccc(Cl)cc2)cn2c1nc1ccccc12,CM,1 | |
| COc1ccc(-c2cn3c(nc4ccccc43)c(C)n2)cc1,CI,0 | |
| Cc1nc(-c2ccc([N+](=O)[O-])cc2)cn2c1nc1ccccc12,CM,1 | |
| Cc1n[nH]c(=O)n1N=Cc1cccnc1,CI,0 | |
| Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C(N(C)O[Si](C)(C)C(C)(C)C)C2[Se]c2ccccc2)c(=O)[nH]c1=O,CI,0 | |
| CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cn2)CC(C)N1,CI,0 | |
| CN1CCN(c2ccc(-n3cc(C(=O)O)c(=O)c4cc(F)c(N5CCN(C)CC5)cc43)nc2)CC1,CI,0 | |
| CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(N3CCN(C)CC3)cn2)CC(C)N1,CI,0 | |
| CC(C)N(c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(N2CCN(C)CC2)cn1)C(C)C,CI,0 | |
| Cl.NC1CCCCC1NCCNC1CCCCC1N,CI,0 | |
| COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1,CI,0 | |
| CC[N+]1(CC)CCN[Co-4]123([O+]=C1C=CC=CC=C1[OH+]2)[O+]=C1C=CC=CC=C1[OH+]3.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| CCOC(=O)CCC(=NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC,CI,0 | |
| O=S(=O)(Cc1nc2ccccc2s1)c1nc2ccccc2s1,CI,0 | |
| O=C(O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1=O.[KH],CI,0 | |
| CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(F)(F)F,CI,0 | |
| CCOC(=O)C(NC(=O)CC(C)C)(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(F)(F)F,CI,0 | |
| CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F,CI,0 | |
| Cc1n[nH]c(=O)n1N=Cc1ccc([N+](=O)[O-])cc1,CI,0 | |
| O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1,CI,0 | |
| O=C(OCC1OC2OC(c3ccccc3)(n3ccc4c([N+](=O)[O-])ccnc43)OC2C1OC(=O)c1ccccc1)c1ccccc1,CI,0 | |
| COc1ccc(-c2cc3nc2c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c3-c2ccccc2)cc1,CI,0 | |
| O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C(O)C(O)c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH],CA,1 | |
| CC(=O)Nc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0 | |
| CC(=O)Oc1ccc(C2SCc3nc4ccccc4n32)cc1,CI,0 | |
| Fc1cccc(F)c1C1SCc2nc3cc(Cl)ccc3n21,CI,0 | |
| O=[N+]([O-])c1ccc2c(c1)nc1n2C(c2c(F)cccc2F)SC1,CM,1 | |
| Fc1cccc(F)c1C1SCc2nc3cc(Cl)c(Cl)cc3n21,CI,0 | |
| Fc1cccc(F)c1C1SCc2nc3ccc(Cl)cc3n21,CM,1 | |
| CNC(=O)OCc1cnc([N+](=O)[O-])n1C,CI,0 | |
| Cc1cn(C2CC(CO)C2O)c(=O)[nH]c1=O,CI,0 | |
| CC(=O)OCC12C(OC(C)=O)CC(C)C3(CC(c4ccoc4)OC3=O)C1CCC(O)C21CO1,CI,0 | |
| CN(C)Cc1cc(C=O)cc(CN(C)C)c1O,CI,0 | |
| Sc1ncc2[nH]nnc2n1,CI,0 | |
| O=[N+]([O-])c1ccc2c(c1)Sc1ccccc1N2CCCCCl,CI,0 | |
| CC(CC12CCC3(OO1)C(C)(C)CCCC3(C)O2)OC(=O)c1ccccc1,CI,0 | |
| COC(=O)c1ccc(Oc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1,CI,0 | |
| CCOC(=O)c1nc2ccccc2nc1NCc1cc(OC)c(OC)c(OC)c1,CI,0 | |
| COc1cc(CNc2nc3ccccc3nc2-c2cccs2)cc(OC)c1OC,CI,0 | |
| COc1cc(CNc2nc3ccccc3nc2C(=O)O)cc(OC)c1OC,CI,0 | |
| COc1ccc(CNc2nc3ccccc3nc2C(=O)O)cc1OC,CI,0 | |
| COc1ccc(CNc2nc3ccccc3nc2-c2cccs2)cc1,CI,0 | |
| C=CCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(O)c2ccccc21,CI,0 | |
| O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2ccccc2oc1=O,CI,0 | |
| O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc([N+](=O)[O-])ccc2oc1=O,CI,0 | |
| Cc1ccc2oc(=O)c(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc2c1,CI,0 | |
| O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc(Cl)ccc2oc1=O,CI,0 | |
| O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc(Br)cc(Br)c2oc1=O,CI,0 | |
| CCN(CC)c1ccc2cc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)oc2c1,CI,0 | |
| O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2ccc(O)cc2oc1=O,CI,0 | |
| CCCCCCc1cc2cc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)oc2cc1O,CI,0 | |
| O=c1c2cc([N+](=O)[O-])ccc2n2n1Cc1ccccc1C2,CI,0 | |
| O=c1c2cc([N+](=O)[O-])ccc2n2n1CCCCC2,CI,0 | |
| O=c1ccn2n1Cc1ccccc1C2,CI,0 | |
| Nc1ncnc2c1ncn2C(Cl)=C(Cl)Cl,CI,0 | |
| CCOC(=O)C(C(=S)NCc1ccccc1)=C(N)N1CCCC1,CI,0 | |
| Cn1cnc(N2CCCC2)c(C#N)c1=O,CI,0 | |
| Cn1cnc(N2CCCC2)c(C#N)c1=S,CI,0 | |
| CCOC(=O)c1c(N2CCCC2)ncn(C)c1=S,CI,0 | |
| N#Cc1c(N2CCCC2)ncn(Cc2ccccc2)c1=O,CI,0 | |
| N#Cc1c(N2CCCC2)ncn(Cc2ccccc2)c1=S,CI,0 | |
| O=C(NCc1ccccc1Cl)c1c(O)nc2ccccc2c1O,CI,0 | |
| O=C(NCCN1CCOCC1)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1,CI,0 | |
| O=C(NCCN1CCCC1)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1,CI,0 | |
| O=c1nc2ccc3sc4ccccc4c(=O)c3n2c(=O)[nH]1,CI,0 | |
| Oc1ccc([I+]c2ccccc2)cc1O.[Br-],CI,0 | |
| COCCN(C(C)=O)C1CCC2(SCCS2)c2[nH]c3ccccc3c21,CI,0 | |
| COCCN(C(=O)c1ccccc1)C1CCC2(SCCS2)c2[nH]c3ccccc3c21,CI,0 | |
| COC(CN(C(C)=O)C1CCC2(SCCS2)c2[nH]c3ccccc3c21)OC,CI,0 | |
| COCCNC1CCC2(SCCS2)c2[nH]c3ccccc3c21,CI,0 | |
| COc1cc(C(=O)OC2C(OC)OC3COC(c4ccccc4)OC3C2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CI,0 | |
| O=S1(=O)c2ccccc2C(Nc2ccccc2)N1c1ccccc1,CI,0 | |
| O=c1[nH]c2nccn2c2c1SCCN2,CI,0 | |
| I.OCCN(N=Cc1ccc2ccccc2c1)C1=NCCN1,CI,0 | |
| CC(C=NN(C)C1=NCCCCN1)=NN(C)C1=NCCCCN1.I,CI,0 | |
| Nc1nc(Cl)cc(NC2(CO)CCC2)n1,CI,0 | |
| CC(C)(CO)CNc1cc(Cl)nc(N)n1,CI,0 | |
| CC(C)(CO)CNc1nc(N)nc(Cl)c1C=O,CI,0 | |
| CC(C)(CO)CNc1nc(N)nc(Cl)c1C=NO,CI,0 | |
| CCC(CC)(CO)CNc1cc(Cl)nc(N)n1,CI,0 | |
| Nc1nc(Cl)cc(NCC2(O)CCC2)n1,CI,0 | |
| Nc1nc(Cl)cc(NCC2(CO)CC(c3ccccc3)C2)n1,CI,0 | |
| Nc1nc(Cl)cc(NCC2(CO)CCCC2)n1,CI,0 | |
| Nc1nc(Cl)cc(NCC2(CO)CC=CC2)n1,CI,0 | |
| Cl.Nc1nc(Cl)c(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1,CI,0 | |
| CC(=O)Nc1nc(Cl)cc(NCC2(CO)CCC2)n1,CI,0 | |
| Nc1nc(O)cc(NCCCO)n1,CI,0 | |
| COC1C=C(NCC2(CO)CCC2)NC(=N)N1,CI,0 | |
| Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC2(CO)CCC2)n1,CI,0 | |
| CCOP(=O)(CC=CCn1cnc(C(N)=O)c1N)OCC,CI,0 | |
| CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)O,CI,0 | |
| NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)OCc1ccccc1,CI,0 | |
| CC=CCSc1cc(NC(=S)c2ccsc2C)ccc1Cl,CA,1 | |
| O=P1(Oc2ccccc2)OCC2SC(c3ccccc3)CC2O1,CI,0 | |
| O=[N+]([O-])c1c(F)c(F)c2c(c1F)Nc1ccccc1S2,CI,0 | |
| O=S(=O)(O)c1cc(NC(=S)c2ccc3cccnc3c2O)ccc1C=Cc1ccc(NC(=S)c2ccc3cccnc3c2O)cc1S(=O)(=O)O.[NaH],CM,1 | |
| COC(=O)C1CC2c3ccccc3N(S(=O)(=O)c3ccccc3)C2N1C(=O)OC,CI,0 | |
| COC(=O)C1CC2(Br)c3ccccc3N(S(=O)(=O)c3ccccc3)C2N1C(=O)OC,CI,0 | |
| C=CCC12CC(C(=O)OC)N(C(=O)OC)C1N(S(=O)(=O)c1ccccc1)c1ccccc12,CI,0 | |
| COC(=O)C1CC2(CC=O)c3ccccc3N(S(=O)(=O)c3ccccc3)C2N1C(=O)OC,CI,0 | |
| COC(=O)C1CC2(CC=C(C)C)c3ccccc3N(S(=O)(=O)c3ccccc3)C2N1C(=O)OC,CI,0 | |
| COC(=O)N1CCC2(CC=C(C)C)c3ccccc3N(S(=O)(=O)c3ccccc3)C12,CI,0 | |
| CC(C)=CCC12CCNC1N(S(=O)(=O)c1ccccc1)c1ccccc12,CI,0 | |
| CC(C)=CCN1c2ccccc2C2(CC=C(C)C)CCN(C)C12,CI,0 | |
| COc1ccc(-c2c3c(n(C4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1,CI,0 | |
| CC(=O)OCC1OC(n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| CC(=O)OCC1OC(n2c3c(c(-c4ccc(C)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| CC1(C)CC(=O)c2c(-c3ccc(Cl)cc3)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2C1,CI,0 | |
| COc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1,CI,0 | |
| Cc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1,CI,0 | |
| N#CC1=C(S)N(C2OC(CO)C(O)C(O)C2O)C(c2ccccc2)=CC1c1ccco1,CI,0 | |
| Cc1cc(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N,CI,0 | |
| CC(=O)OCC1OC(N2C(C)=C(C(C)=O)C(c3ccc(Cl)cc3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| COc1ccc(C2C(C#N)=C(S)N(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(c3ccccc3)=C2C(C)=O)cc1,CI,0 | |
| COc1ccc(C2C(C#N)=C(S)N(C3OC(CO)C(O)C(O)C3O)C(c3ccccc3)=C2C(C)=O)cc1,CI,0 | |
| O=c1[nH]c2ccsc2c(=O)n1COCc1ccccc1,CI,0 | |
| COC(=O)C1CN(C(=O)c2ccccc2)C(=O)N1C(=O)OCc1ccccc1,CI,0 | |
| Nc1cc2ncnn2c(SCC(=O)NN=CC(Br)=Cc2ccccc2)n1,CI,0 | |
| O=C(CC1CCCN2CCCCC12)N1c2ccccc2Sc2ccc(Cl)cc21,CI,0 | |
| O=c1ccn(C2OC(CO)C(O)C2F)c(=O)n1Cc1ccccc1,CI,0 | |
| N=C1NCC(CN2CCCCC2)O1,CI,0 | |
| CC(NC(=O)CCS)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCCCC(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O,CI,0 | |
| CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Co-4]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-],CI,0 | |
| CSc1cc(-c2ccccn2)nc(-c2ccccn2)c1,CI,0 | |
| C[PH]1(C)CC[PH](C)(C)[Fe-3]1(C#[O+])(C#[O+])C#[O+],CI,0 | |
| COC(=O)C1(Cc2cccc(C)c2)Cc2c(C)cccc2C1=O,CI,0 | |
| O=C1OC(C2Cc3ccc4c(c3C2=O)CCC4)c2ccccc21,CI,0 | |
| Cc1ccc2c(c1)C(C1Cc3c(C)cccc3C1=O)OC2=O,CI,0 | |
| Cc1cccc2c1CC(C1OC(=O)c3ccccc31)C2=O,CI,0 | |
| Cc1ccc2c(c1)C(=O)C(C1OC(=O)c3ccccc31)C2,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1ccc(C)cc1C2=O,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1cc(C)ccc1C2=O,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1c(C)cccc1C2=O,CI,0 | |
| COC(=O)c1ccc(C)cc1C1CN=NC12Cc1c(C)cccc1C2=O,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1cccc(C)c1C2=O,CI,0 | |
| Cc1cccc2c1C(=O)C(C1OC(=O)c3ccccc31)C2,CI,0 | |
| Cc1ccc2c(c1)C(C1Cc3cccc(C)c3C1=O)OC2=O,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1c(ccc3c1CCC3)C2=O,CI,0 | |
| COC(=O)c1c(C)cccc1C1CN=NC12Cc1c(C)cccc1C2=O,CM,1 | |
| Cc1cccc2c1CC(C1OC(=O)c3c(C)cccc31)C2=O,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1ccccc1C2=O,CI,0 | |
| COC(=O)c1ccccc1C=C1Cc2ccccc2C1=O,CI,0 | |
| OCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCC3,CI,0 | |
| CCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=O,CI,0 | |
| NS(=O)(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4c(Nc4ccc(S(N)(=O)=O)cc4)c3c2)cc1,CM,1 | |
| Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)Nc6onc(C)c6C)cc5)c4c3)cc2)c1C,CM,1 | |
| Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccc(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cc34)cc2)no1,CI,0 | |
| Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccc(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cc34)cc2)n1,CI,0 | |
| Cn1c2ccccc2c(=NNc2ccc(S(=O)(=O)NC(=N)N)cc2)c2ccccc21,CI,0 | |
| NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3ccccc23)cc1,CI,0 | |
| Nc1nc(O)cc(NNc2ccc(Cl)c(Cl)c2)n1,CI,0 | |
| Cn1c(NNc2ccccc2)cc(=O)[nH]c1=O,CI,0 | |
| CC1(C)CCCCCCCCCC(C)(CCCCCCCCCCCCO)C1=O,CI,0 | |
| CC1(C)CCCCCC(C)(CCCO)C1=O,CI,0 | |
| CC1(CCCO)CCCCCCCCCC(C)(CCCO)C1=O,CI,0 | |
| CN(C)CCCCN1c2ccccc2Sc2ccc(C(=O)c3ccccc3)cc21.O=C(O)C(=O)O,CI,0 | |
| O=[N+]([O-])c1c(F)c(F)c2c(c1F)N(CCCCCl)c1ccccc1S2,CI,0 | |
| O=S(=O)(O)c1ccc(SSc2ccc(S(=O)(=O)O)cc2)cc1.[KH],CI,0 | |
| CC(C)(C)C(C)(C)SSC(C)(C)C(C)(C)C,CI,0 | |
| N#CC(N=O)C(N)=O,CI,0 | |
| O=Nc1c(O)nc(S)nc1O,CI,0 | |
| Nc1nc(O)nc(O)c1N=O,CI,0 | |
| Nc1nc(S)nc(N)c1N=O,CM,1 | |
| NC(CSSCC(N)C(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1,CI,0 | |
| N.Nc1nc(S)nc(O)c1N=O,CI,0 | |
| Cc1ccc(S(=O)(=O)NN=CC(=Cc2ccc(Cl)cc2)CC(C=NNS(=O)(=O)c2ccc(C)cc2)=Cc2ccc(Cl)cc2)cc1,CI,0 | |
| NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1NC=O,CI,0 | |
| Cc1ccc(S(=O)(=O)N2CCNCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,CI,0 | |
| CS(=O)(=O)CCC1CCC(=O)O1,CI,0 | |
| Cc1ccc(C=Nn2c(Cc3ccccc3)n[nH]c2=O)cc1,CI,0 | |
| CN(C)Cc1cc(C(=O)C=Cc2ccc(F)cc2)cc(CN(C)C)c1O.Cl,CI,0 | |
| COC(=O)c1c(C)cccc1C1CN=NC12Cc1ccc(C)cc1C2=O,CM,1 | |
| COC(=O)c1cc(C)ccc1C1CN=NC12Cc1cccc(C)c1C2=O,CI,0 | |
| COC(=O)c1ccc(C)cc1C1CN=NC12Cc1cc(C)c(C)cc1C2=O,CI,0 | |
| COC(=O)c1cccc(C)c1C1CN=NC12Cc1c(ccc(C)c1C)C2=O,CI,0 | |
| COC(=O)c1cccc(C)c1C1CN=NC12Cc1cc(C)cc(C)c1C2=O,CI,0 | |
| COC(=O)c1c(C)cccc1C1CN=NC12Cc1ccc(C)c(C)c1C2=O,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1c(ccc(C)c1C)C2=O,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1c(C)cc(C)cc1C2=O,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1cc3c(cc1C2=O)CCC3,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1cc(C)cc(C)c1C2=O,CI,0 | |
| COC(=O)c1c(C)cccc1C1CN=NC12Cc1cc(C)c(C)cc1C2=O,CI,0 | |
| COC(=O)c1c(C)cccc1C1CN=NC12Cc1cc(C)cc(C)c1C2=O,CI,0 | |
| COC(=O)c1cc(C)ccc1C1CN=NC12Cc1c(C)cc(C)cc1C2=O,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1ccc(C)c(C)c1C2=O,CI,0 | |
| COC(=O)c1cc(C)ccc1C1CN=NC12Cc1ccc(C)cc1C2=O,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1ccc3c(c1C2=O)CCC3,CI,0 | |
| COC(=O)c1ccccc1C1CN=NC12Cc1c(C)ccc(C)c1C2=O,CI,0 | |
| C=C(c1ccccc1)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1,CI,0 | |
| CCOP(=O)(OCC)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO,CI,0 | |
| O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1,CI,0 | |
| COc1cccc(OC)c1C=C1OC(=O)c2cccc(OC)c21,CI,0 | |
| COC(N)=C(C#N)N=Cc1ccsc1,CI,0 | |
| CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1,CI,0 | |
| Cc1ccc(C)c2c1CC(=Cc1ccccc1C(=O)O)C2=O,CI,0 | |
| O=P1(c2ccccc2)C(c2ccccc2)=CC=C1c1ccccc1,CI,0 | |
| O=[N+]([O-])c1ccc(S(=O)(=O)N=[IH2]c2ccccc2)cc1,CI,0 | |
| CC12CCC(C(Nc3ccccn3)C1=O)C2(C)C,CI,0 | |
| c1ccc([Sn]23OCCN(CCO2)CCO3)cc1,CI,0 | |
| CC(C)(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1,CI,0 | |
| CC1Oc2c3c(c4c(CO)cc(=O)oc4c2C(O)C1C)OC(C)(C)C=C3,CI,0 | |
| NNC(=O)c1nn[nH]c1C(=O)NN,CI,0 | |
| COC(=O)c1ccc(OCCn2nnc(C(=O)NN)c2C(=O)NN)cc1,CI,0 | |
| CC(Nc1nnc(O)c2c1nnn2Cc1ccccc1)c1ccccc1,CM,1 | |
| Cc1ccc(-n2nnc3c(NNc4ccccc4)nnc(O)c32)cc1,CI,0 | |
| O=C(Cn1cc(-c2ccccc2)nn1)NC1CCCCC1,CI,0 | |
| COc1ccc(CNC(=O)NCn2cc(-c3ccccc3)nn2)cc1,CI,0 | |
| CC1CCC(C(C)C)C(OC(=O)NCn2cc(-c3ccccc3)nn2)C1,CI,0 | |
| CC(OC(=O)NCn1cc(-c2ccccc2)nn1)c1ccccc1,CM,1 | |
| Cn1c(=O)cc(N2CCCC2)[nH]c1=O,CI,0 | |
| NC1CCc2c1nc1c(c2-c2ccccc2)CCC1N,CI,0 | |
| Cc1ccc(S(=O)c2occc2C=O)cc1,CI,0 | |
| O=C(O)C=NNc1nc2ccccc2[nH]1,CI,0 | |
| COc1ccc(C(=NNc2nc3ccccc3[nH]2)C(=O)O)cc1,CI,0 | |
| Cn1c2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nnc12,CI,0 | |
| O=c1c(-c2ccccc2)nnc2n(Cc3ccccc3)c3ccccc3n12,CI,0 | |
| COc1ccc(-c2nnc3n(Cc4ccccc4)c4ccccc4n3c2=O)cc1,CI,0 | |
| Cc1cccc(-n2c(C)nc3ccc(NC(=S)Nc4ccccc4)cc3c2=O)c1,CI,0 | |
| CC1=Nc2sc3c(c2C2=NCCN12)CCCC3,CI,0 | |
| N#Cc1c(NC(=S)Nc2ccccc2)sc2c1CCCC2,CI,0 | |
| O=C1NC(=S)NC1=Cc1ccc(Br)s1,CI,0 | |
| O=C(O)c1ccccc1Sc1ccc(C=C2NC(=S)N(c3ccccc3)C2=O)s1,CI,0 | |
| O=C1C(=Cc2ccc(Br)s2)NC(=S)N1CN1CCCCC1,CI,0 | |
| CC(=O)OCC1OC(SC2=NC(=Cc3ccc(Br)s3)C(=O)N2CN2CCOCC2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| CC1=CCOC(=O)CCC(C)=CCC1,CI,0 | |
| CCC(C)(C)OC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CI,0 | |
| CCC1(CC2CC3(C(=O)OC)c4[nH]c5ccccc5c4CCN3C2=S)COC2(CCCCC2)O1,CI,0 | |
| Cc1ccc(C(CCO)CCO)nc1,CI,0 | |
| CC(C)(C)C1=CC(O)(c2c3ccccc3c(C3(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)c3ccccc23)C=C(C(C)(C)C)C1=O,CI,0 | |
| Cc1c2c(c(C)c3c1[OH+][Re+](C#[O+])(C#[O+])(C#[O+])([PH](c1ccccc1)(c1ccccc1)c1ccccc1)[OH+]3)OCO2,CI,0 | |
| N#Cc1c(Sc2ccccc2N)cccc1Sc1ccccc1N,CI,0 | |
| N#Cc1ccccc1CSc1ncnc2[nH]cnc12,CM,1 | |
| N#Cc1cccc(CSc2ncnc3[nH]cnc23)c1,CI,0 | |
| O=C1NC(=S)NC1=Cc1c(-c2ccccc2)[nH]c2ccccc12,CI,0 | |
| N=C1NC(=O)C(CSCc2ccccc2)N1C(=O)OCc1ccccc1,CI,0 | |
| N=C1NC(=O)C(Cc2c[nH]c3ccccc23)N1C(=O)OCc1ccccc1,CI,0 | |
| CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C,CI,0 | |
| CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C)=C(OC5OC(CO)C(O)C(O)C5O)C(=O)CC4C3(C)C(=O)CC12C,CI,0 | |
| Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C3CCC(C)(C)O3)C(O)CC12C,CI,0 | |
| C=C(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C,CI,0 | |
| C=C(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C,CI,0 | |
| C=C(C)CCC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C,CI,0 | |
| CC(C)=CCC(O)C(C)(O)C1C(O)CC2(C)C3CCc4cc(O)c(OC5OC(CO)C(O)C(O)C5O)cc4C3(C)C(=O)CC12C,CI,0 | |
| Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12C,CI,0 | |
| CC(=O)C1C(O)CC2(C)C3CCc4cc(O)c(OC5OC(CO)C(O)C(O)C5O)cc4C3(C)C(=O)CC12C,CI,0 | |
| CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12C,CI,0 | |
| Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1C=CC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12C,CI,0 | |
| Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)C=CC(C)(C)O)C(O)CC12C,CI,0 | |
| Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)CCC(C)(C)O)C(O)CC12C,CI,0 | |
| CCOP(=O)(Cc1nc(C#N)c(N)o1)OCC,CI,0 | |
| N#CCCSC1SC(=C2SC3=C(SCCS3)S2)SC1SCCC#N,CI,0 | |
| Nc1c(Cl)ncnc1NC1CC1CO,CI,0 | |
| O=c1[nH]c(=O)n(COCc2ccccc2)c2ccsc12,CI,0 | |
| Cc1nc2c(c(N3CCN(C)CC3)n1)Cc1ccccc1-2,CI,0 | |
| Nc1cccc2nnccc12,CI,0 | |
| COc1cc(C2C(O)N(C)C(=O)C23CCCN3C)c(Br)cc1Br,CI,0 | |
| CCC(C)C(=O)OC1C(OC(C)=O)C(OC(C)=O)C2(COC(C)=O)C(OC(C)=O)C(=O)C3C(OC(C)=O)C2(OC3(C)COC(=O)c2ccccc2)C1(C)O,CI,0 | |
| N#Cc1c(-c2ccccc2)c(C=O)c(=O)n2c1[nH]c1ccccc12,CI,0 | |
| c1ccc2coc3cccc(c1)c23,CI,0 | |
| COc1cc2cccc(N)c2cc1OC,CI,0 | |
| N=C1NC(=N)c2cc3c(cc21)SCCSCCCSCCS3,CI,0 | |
| C=CC(O)C#Cc1cnc(OC)nc1OC,CI,0 | |
| C=CC(=O)C#Cc1cnc(OC)nc1OC,CI,0 | |
| CC=CC(O)C#Cc1cnc(OC)nc1OC,CI,0 | |
| CN(C)C=Cc1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O,CI,0 | |
| CN(C)C=Cc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O,CI,0 | |
| COC=CC=C(C#N)C(=O)OC,CI,0 | |
| CC(C)C(OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1)C(C)C,CI,0 | |
| Cc1ccc2[nH]c3nc(O)nc(O)c3c2c1,CI,0 | |
| Nc1nc(N)nc(Cl)n1,CI,0 | |
| O=C1C=CC(=O)N1n1c(Cc2ccccc2)n[nH]c1=O,CI,0 | |
| Cc1nc2c(=O)[nH]c(=O)nc-2n(CCO)c1C,CI,0 | |
| Cc1nc2c(=O)n(C)c(=O)nc-2n(CCO)c1C,CI,0 | |
| Brc1c2c(c(Br)c3nsnc13)N=S=N2,CI,0 | |
| C1CNCCNCCN1,CI,0 | |
| CC(=O)Nc1ccc2c(C)c3c4ccccc4n(C)c3nc2n1,CI,0 | |
| CCCCCCCCCCCCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1,CI,0 | |
| O=C(O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1,CI,0 | |
| O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2ccccc2nc1NCc1ccc(Cl)c(Cl)c1,CI,0 | |
| COc1ccc(CNc2nc3ccccc3nc2C(=O)O)cc1,CI,0 | |
| O=C(O)c1nc2ccccc2nc1NCc1ccc(F)cc1,CI,0 | |
| C=C1CC2C(C)C(=O)CCC2(C)C2=C1C1CCC(C(C)CCC(=C)C(C)C(=O)O)C1(C)CC2=O,CI,0 | |
| O=c1c2c(-c3ccccc3)onc2n(-c2ccccc2)c(=O)n1-c1ccccc1,CI,0 | |
| [N-]=[N+]=NC1=C(N=[N+]=[N-])c2cccc3cccc(c23)C1=O,CI,0 | |
| Cn1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)n(C)c1=O,CI,0 | |
| N=C1N(S(=O)(=O)c2ccccc2)C(Cc2ccccc2)C(c2ccccc2)C1(c1ccccc1)c1ccccc1,CI,0 | |
| CCC1(CC)CC(=NNS(=O)(=O)c2ccc(C)cc2)C1,CI,0 | |
| CCN(CC)CCOC(=O)c1nc(O)nc(O)c1N,CI,0 | |
| Nc1c(O)nc(O)nc1C(=O)OCc1ccccc1,CI,0 | |
| CCCCCCOC(=O)c1[nH]c(=O)n(CCCCCC)c(=O)c1N,CI,0 | |
| O=C1CC(c2ccco2)C2(C(=O)NC(=O)NC2=O)C(c2ccco2)C1,CI,0 | |
| Nc1ccc2nc3n(c2c1)C(c1c(F)cccc1F)SC3,CI,0 | |
| Nc1ccc2c(c1)nc1n2C(c2c(F)cccc2F)SC1,CI,0 | |
| O=C(Cn1cc(F)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2,CI,0 | |
| O=C(Nn1cc(F)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2,CI,0 | |
| Clc1cc(OC23CC4CC(CC(C4)C2)C3)nc(Cl)n1,CI,0 | |
| Clc1cc(OC2C3CC4CC(C3)CC2C4)nc(Cl)n1,CI,0 | |
| CC1=CC(=O)N(n2c(Cc3ccc(Cl)cc3)n[nH]c2=O)C1=O,CI,0 | |
| CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NC2CCCCC2)cs1,CI,0 | |
| CC12CCC3c4cc(OCC(F)(F)F)c(O)cc4C(=NO)CC3C1CCC2O,CI,0 | |
| CC12CCC3c4cc(OCC(F)(F)F)c(O)cc4C(=O)CC3C1CCC2O,CI,0 | |
| CCC(C#N)NCc1cccc(CNC(C#N)CC)c1,CI,0 | |
| CC(C)C=NN1C(N)=C(C#N)C(C#N)(C#N)C1C(C)C,CI,0 | |
| CC(C)C=Nn1c(N)c(C#N)c(C#N)c1C(C)C,CI,0 | |
| N#Cc1c(C#N)c(-c2ccco2)n(N=Cc2ccco2)c1N,CI,0 | |
| CC1C(C#N)(C#N)C(C#N)=C(N)C1(C)[N+](=O)[O-],CI,0 | |
| CC1C(C#N)(C#N)C(C#N)=C(N)C1(Cl)[N+](=O)[O-],CI,0 | |
| CC(=O)C1(C)CC(C#N)(C#N)C(C#N)=C1N,CI,0 | |
| CCCC1C(C#N)(C#N)C(C#N)=C(N)C1(C)C(C)=O,CI,0 | |
| CCOC(=O)C1C(c2ccco2)C2(C#N)C(=N)OC1(C)C2(C#N)C#N,CI,0 | |
| COC1(OC)NC(=N)C2(C#N)C(C)CC(=O)N(N(C)C)C12C#N,CI,0 | |
| CC1=C2NCN(C)N=C2C(C#N)(C#N)C1(C#N)C#N,CI,0 | |
| CC1CC(=O)N(N(C)C)C2(C#N)C(=O)NC(=N)C12C#N,CI,0 | |
| CC1=C(C#N)C(C#N)(C#N)C(NN(C)C)C1.Cl,CI,0 | |
| CC1CC(NN(C)C)=C(C#N)C1(C#N)C#N,CI,0 | |
| COc1cc(C(=O)C=Cc2ccc(OCCSCCCCCCCCCCSCCOc3ccc(C=CC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC,CI,0 | |
| O=C1C(S(=O)(=O)c2ccccc2)=C(CS(=O)(=O)c2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1,CI,0 | |
| COc1c2c(cc3oc(C)c(C)c(=O)c13)OC(C)(C)C=C2,CI,0 | |
| CCCCC(=O)Oc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(=O)CCCC)c(C(=O)O)c2)cc1C(=O)O.[NaH],CM,1 | |
| Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3cc[n+]([Pt-2]4([n+]5ccc(-c6c7ccc(n7)c(-c7ccc(C)cc7)c7ccc([nH]7)c(-c7ccc(C)cc7)c7ccc(n7)c(-c7ccc(C)cc7)c7ccc6[nH]7)cc5)[PH](c5ccccc5)(c5ccccc5)CCC[PH]4(c4ccccc4)c4ccccc4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1.O=S(=O)([O-])C(F)(F)F,CI,0 | |
| Oc1nc(NCc2cccnc2)nc2[nH]cnc12,CI,0 | |
| Cc1cc2nnn(C3CCCO3)c2cc1C,CI,0 | |
| c1ccc2nn(C3CCCO3)nc2c1,CI,0 | |
| ClC(Cl)(Cl)C1CCOC1n1nc2ccccc2n1,CI,0 | |
| Clc1c(Cl)c(Cl)c2c(nnn2C2CCCO2)c1Cl,CI,0 | |
| O=C1NC(=O)c2ccccc2C1=Cc1ccc2c(c1)OCO2,CI,0 | |
| COc1ccc(-c2cc3ccccc3oc2=O)cc1OC,CI,0 | |
| C=CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1,CI,0 | |
| COc1ccccc1C(=O)NO,CI,0 | |
| CCC1(CC)C(=O)NN(C(=O)c2ccc(Cl)cc2)C1=O,CI,0 | |
| CCC(=O)N1C(=O)C(CC)(CC)C(=O)N1C(=O)CC,CI,0 | |
| CCC1(CC)C(=O)N(C(=O)c2ccc(C)cc2)N(C(=O)c2ccc(C)cc2)C1=O,CI,0 | |
| CCC1(CC)C(=O)N(C(=O)c2cc(OC)c(OC)c(OC)c2)N(C(=O)c2cc(OC)c(OC)c(OC)c2)C1=O,CI,0 | |
| CCC1(CC)C(=O)N(C(=O)c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1=O,CI,0 | |
| O=c1cc(N2CCNCC2)nc2ccccn12,CI,0 | |
| CCOC(=O)CC1C2(C=CC13OCC(C)(C)CO3)CO2,CI,0 | |
| O=C1NCCN1N=Cc1c(Cl)n(-c2ccccc2)c2ccccc12,CI,0 | |
| Cc1ccc(S(=O)(=O)CNC(=O)C(O)(O)C(F)(F)F)cc1,CI,0 | |
| CC(=O)Oc1cc(C=C(C#N)C(=O)NCCCCCNC(=O)C(C#N)=Cc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc(OC(C)=O)c1OC(C)=O,CI,0 | |
| O=C(NCCCCCCCCCCNC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,CI,0 | |
| COC(N)=C(C#N)N=Cc1cccnc1,CI,0 | |
| O=C(O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(Cl)c(Cl)c1,CI,0 | |
| CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(OC)cc1,CI,0 | |
| CCOC(=O)c1nc2ccccc2nc1NCc1ccc(Cl)cc1Cl,CI,0 | |
| CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(Cl)c(Cl)c1,CI,0 | |
| NC(=O)NC(=O)CCC(NS(=O)(=O)c1ccccc1)C(=O)NC(N)=O,CI,0 | |
| N#CC(=Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)o1,CI,0 | |
| CSc1ccn(C2CC(F)C(CO)O2)c(=O)n1,CM,1 | |
| CCOC(=O)c1cc(C)nc2c1c(=O)n(-c1ccccc1)c(=O)n2CCCCN1CCN(c2ncccn2)CC1,CI,0 | |
| COc1ccc(-c2ncnc(-c3ccc(OC)c(OC)c3)n2)cc1OC,CI,0 | |
| CCCCC1Sc2cc(OC)cc3c2N(CCN3)C1=O,CI,0 | |
| CN(N=O)C(=N)NC(=O)c1ccccc1,CI,0 | |
| Cc1nn(C2=NCCN2)c(O)c1Cc1ccccc1,CI,0 | |
| Cc1c(-c2ccccc2)nn(C2=NCCN2)c1O,CI,0 | |
| C[N+]1([O-])CCC(O)(C2CC2)CC1,CI,0 | |
| CN(C)C1=Nc2ccccc2C(=S)N2CSCC12,CI,0 | |
| NNC1=Nc2ccc(Cl)cc2C(=S)N2CSCC12,CI,0 | |
| C1CN2CN3CN4CCN5CN6CN1[Ni-4]524([SH+]c1nnc6s1)[SH+]c1nnc3s1,CI,0 | |
| O=[N+]([O-])c1ncn(S(=O)(=O)c2cccc3cccnc23)n1,CI,0 | |
| Cl.NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12,CI,0 | |
| CC1CN(S(=O)(=O)c2cccc3cnccc23)CCN1,CI,0 | |
| COC(N)=C(C#N)N=Cc1ccc2ccccc2c1,CI,0 | |
| NC(=O)C1N=NSC1NC(=O)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| Cc1ccc(-n2nnc(C#N)c2O)cc1,CI,0 | |
| CCOC(=O)c1nnsc1NC(=O)Nc1ccc(Cl)cc1,CI,0 | |
| CCOC(=O)c1ccc(-n2nnc(C(N)=O)c2O)cc1.[NaH],CI,0 | |
| CCOC(=O)c1nnsc1NN=Cc1ccc([N+](=O)[O-])cc1,CI,0 | |
| CN(C)N=Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(O)CO,CI,0 | |
| CC1CC(=O)Nc2ccc(N=NN(C)C)cc2N1C=O,CI,0 | |
| NC(=O)c1nnn(Cc2ccccc2)c1N,CI,0 | |
| Oc1cccc(Nc2cc(O)nc(O)n2)c1,CI,0 | |
| CS(=O)(=O)c1cc([N+](=O)[O-])c(C(N)=O)cc1N(CCCl)CCCl,CI,0 | |
| O=c1c2cccc3cccc(c4n1CCN=4)c32,CI,0 | |
| CC1N=NC([S-])=NC1=O.[Cl-].[Pt],CM,1 | |
| [Cl-].[Pt].[S-]c1ncccn1,CI,0 | |
| CC1N=NC([S-])=NC1=O.[Pd+2],CI,0 | |
| [Pd+2].[S-]c1ncccn1,CI,0 | |
| CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNNc1c(OCc2ccccc2)c(=O)c1=O,CI,0 | |
| CC(C)(C)OC(=O)NC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O,CI,0 | |
| Cc1ccc(C2=Nc3c(N)nc(N)nc3NC(c3ccccc3)C2)cc1,CI,0 | |
| Cc1ccsc1C=NNC1=NCCN1,CI,0 | |
| Cc1ccsc1C=NNc1nc2ccccc2s1,CI,0 | |
| Cc1ccc(C=NNC2=NCCN2)s1,CI,0 | |
| Cc1ccc(C=NNc2nc3ccccc3s2)s1,CI,0 | |
| CCOC(=O)c1nnsc1NC(=O)NCCCCCCn1c(=O)n(CCCCCCNC(=O)Nc2snnc2C(=O)OCC)c(=O)n(CCCCCCNC(=O)Nc2snnc2C(=O)OCC)c1=O,CI,0 | |
| CSc1[nH]cnc1C(N)=S,CI,0 | |
| CCOc1nnnc2[nH]cnc12,CI,0 | |
| CN(C)N=Nc1ccc2[nH]c(=O)[nH]c2c1,CI,0 | |
| CC(=O)NC(CSN=Nc1[nH]cnc1C(N)=O)C(=O)O,CI,0 | |
| N#Cc1nnn(-c2ccc(Br)cc2)c1O,CI,0 | |
| N#Cc1nnn(-c2ccccc2)c1O,CI,0 | |
| NC(=O)c1nnn(-c2ccccc2)c1O.[NaH],CI,0 | |
| CCOC(=O)c1nnsc1NC(=O)NN,CI,0 | |
| Cc1ccc(Cc2nn(C)c(=O)n2-n2cccc2)cc1,CI,0 | |
| CN1CCN(Cc2nc3c(s2)CCc2sccc2-3)CC1.Cl,CI,0 | |
| COc1cc2c(cc1OC)-c1cc3ccccc3c(=O)n1CCC2,CI,0 | |
| CCn1cc2c(=O)n3ncn(-c4ccc(Br)cc4)c3nc2n1,CI,0 | |
| COC(=O)C1C=CN(N(C)C)C2=C1C(=O)c1c(O)cccc1C2=O,CI,0 | |
| O=c1c2sc3ccccc3sc=2c(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c12,CI,0 | |
| CN(C)C(=C1c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21)N(C)C,CI,0 | |
| CCOC=NC1=C(C#N)SC2=NC(=Cc3ccc(OC)cc3)C(=O)N21,CI,0 | |
| COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(C)=O)C6(C)C(O)(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O,CI,0 | |
| COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(O)C6(C)C(O)(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O,CI,0 | |
| CCCCCCCCCc1cc(=O)c2c(O)cc(O)cc2o1,CI,0 | |
| COc1cc(NC=C2C(=O)OC(C)(C)OC2=O)c(OC)c(C)c1OC,CI,0 | |
| COc1c(C)c2nc3ccccc3nc2c2c(O)ccnc12,CI,0 | |
| O=c1ccn(C2OC(COC3CCCCO3)C(OC3CCCCO3)C2OC2CCCCO2)c(=O)n1-c1ccccc1,CI,0 | |
| CCCCCCOP(=O)(OCCCCCC)OC(C(=O)OC)C(F)(F)F,CI,0 | |
| CCOC(=O)C(NCc1ccccc1)(NC(=O)c1ccccc1)C(F)(F)F,CI,0 | |
| CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F,CI,0 | |
| CCOC(=O)C(=CNc1ccc(F)c(F)c1)C(=O)OCC,CI,0 | |
| COC1CCC(=O)N1CN(C(C)=O)c1ccc(C)cc1,CI,0 | |
| N#CC(=Cc1ccc(Cl)cc1)c1nc(O)c2ccccc2n1,CI,0 | |
| COc1ccc2oc(=N)c(C(N)=S)cc2c1,CI,0 | |
| CCN(CC)c1ccc2cc(C(=O)Nc3cccc4ccccc34)c(=N)oc2c1,CI,0 | |
| N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)NCc1ccccc1,CI,0 | |
| N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1,CI,0 | |
| N=c1oc2cc(O)ccc2cc1C(=O)NCc1ccccc1,CI,0 | |
| COc1cccc2cc(C(=O)Nc3ccccc3)c(=N)oc12,CI,0 | |
| Cc1ccc(C)n1-c1ccccc1C1C=CN(C(=O)OC(C)(C)C)C=C1,CI,0 | |
| Cc1ccc(C)n1-c1ccccc1C1C=Cn2c(=O)oc3c(OC(C)C)c(OC(C)C)c(O)c1c32,CI,0 | |
| Cc1ccc(C)n1-c1ccccc1C1C=Cn2c3c1c(=O)c(OC(C)C)c(OC(C)C)c-3n[nH]c2=O,CI,0 | |
| CCN(CC)c1c(C(C)(C)C)c(=O)n2ccsc2c1OC(C)=O,CI,0 | |
| O=C(c1ccccc1F)c1c(NCc2ccccc2)c(=O)c1=O,CM,1 | |
| C(=Nc1ccccc1C1SCCCS1)c1ccccc1,CI,0 | |
| CC(=O)Oc1c(N2CCCCC2)c(C(=O)c2ccccc2)c(O)c2ccn(N(C)C)c12,CI,0 | |
| Cc1c(NC(=O)CSC(=S)N2CCN(Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C,CI,0 | |
| O=C1C(=Cc2ccc(F)cc2)CNCC1=Cc1ccc(F)cc1,CI,0 | |
| [Na+].c1ccc2c(c1)[SH+][Sn]1([SH+]2)[SH+]c2ccccc2[SH+]1,CI,0 | |
| CCOc1cc2c(cc1O)C(=NNS(=O)(=O)c1ccc(C)cc1)CC1C2CCC2(C)C(O)CCC12,CI,0 | |
| Cc1ccc(-c2n[nH]c(=O)n2N=Cc2ccccc2O)cc1,CI,0 | |
| CC(=Nc1ccncc1)C(C)=Nc1ccncc1,CI,0 | |
| CC(=NN=Cc1ccccn1)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN=Cc1ccccn1,CI,0 | |
| COc1cccc(CC2C(=O)NC(=O)NC2=O)c1,CI,0 | |
| O=C1NC(=O)C(Cc2cccc(Cl)c2)C(=O)N1,CI,0 | |
| N=C(N)NCCC(NC(=O)OCCCCCn1ccc(=O)[nH]c1=O)C(=O)O,CI,0 | |
| COc1ccccc1C(=NOCCC(=O)O)c1cccs1,CI,0 | |
| Nc1cnc2c(c1)c(=O)nc1n2CCS1,CI,0 | |
| CC(=O)OC1CCC2(C)C(=CC(c3ccc(O)cc3)C3C2CCC2(C)C(OC(C)=O)CCC32)C1,CI,0 | |
| COc1ccc(CC(CO)NC2=C(C#N)CCC2)cc1,CI,0 | |
| O=[N+]([O-])c1ccc(-n2cnc3c(O)nc(O)nc32)nc1,CI,0 | |
| N#CC(=C1N=C(c2ccccc2O)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| CCCCN1C(CO)C(O)C(O)C(O)C1CO,CI,0 | |
| Cc1c(C#N)c(=N)oc2ccccc12,CI,0 | |
| CCOC(=O)CC1(N)CC2c3ccccc3OC(=O)C2C(=O)N1,CI,0 | |
| COc1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1,CI,0 | |
| O=C(NCC1CCCN2CCCCC12)C(Cl)(Cl)Cl,CI,0 | |
| COc1ccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CI,0 | |
| CC(C)(C)C(=O)OCOP(=O)(O)OCC1CCC(N2C=CC(N)NC2=O)O1,CA,1 | |
| COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1C,CI,0 | |
| CCOC(=O)C1(C#N)C(=O)c2cc[n+](CC[n+]3ccc4c(c3)C(=O)C(C#N)(C(=O)OCC)C4=O)cc2C1=O.[Br-],CI,0 | |
| CC(=O)O.CCOC(=O)C(C(N)=O)=C(O)c1cnccn1,CI,0 | |
| CCOC(=O)C1(C(N)=O)C(=O)c2ccncc2C1=O,CI,0 | |
| Nc1nc(Cl)cc(Oc2ccc(Cl)cc2)n1,CI,0 | |
| Nc1ccc(Nc2cc(O)nc(O)n2)cc1Cl,CI,0 | |
| CC(=O)Nc1ccc(Nc2nc(O)nc(O)n2)cc1,CI,0 | |
| O=c1c2nc3ccccc3c(=O)n2ncn1-c1ccccc1Cl,CI,0 | |
| Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N)cc2)cc1,CI,0 | |
| O=C1C(NS(=O)(=O)c2ccccc2)=C(N(Cc2ccccc2)Cc2ccccc2)C(=O)c2ccccc21,CI,0 | |
| C[n+]1cn(C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c2ccccc21,CI,0 | |
| O=C1C([N-]S(=O)(=O)c2ccccc2)=C([n+]2ccc(Cc3ccccc3)cc2)C(=O)c2ccccc21,CI,0 | |
| NCCCCN(CCCN)Cc1ccc2ccccc2c1.O=C(O)C(F)(F)F,CI,0 | |
| CC(C)(C)c1ccc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2cc(C(C)(C)C)ccc2O)c1,CI,0 | |
| O=c1oc2ccccc2c(O)c1C(c1ccc2c(c1)Cc1ccccc1-2)c1c(O)c2ccccc2oc1=O,CI,0 | |
| O=c1oc2ccccc2c(O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O,CI,0 | |
| O=C(Nc1ccccc1C(=O)NCc1ccccc1)C(=Cc1ccccc1)NC(=O)c1ccccc1,CI,0 | |
| CC(NC(=O)C(=Cc1ccccc1O)NC(=O)c1ccccc1)C(=O)O,CI,0 | |
| O=C(NC(=Cc1ccccc1)c1nc2ccccc2c(=O)o1)c1ccccc1,CI,0 | |
| Cc1ccc2[nH]c3c(c2c1)CCCC3=NNC(=N)N,CI,0 | |
| Cc1ccc2c3c4c(ccc13)C(C)(C)OC4=C(C(C)C)C2=O,CI,0 | |
| Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C,CI,0 | |
| OC1CCOC1(O)c1ccccn1,CI,0 | |
| BrC1=C(Br)C2(SCCS2)C2CC1c1ccccc12,CI,0 | |
| COc1ccc(C(=O)CC(c2ccccc2)C2C(c3ccc(OC)cc3)=Nc3c(nc(SC)n(C)c3=O)NC2c2ccccc2)cc1,CI,0 | |
| CNC(=O)c1nnn(C2CCCCC2)c1S,CI,0 | |
| NC(=O)c1nnsc1NN=Cc1ccc([N+](=O)[O-])cc1,CI,0 | |
| O=C(O)c1nn[nH]c1S,CI,0 | |
| NC(=O)c1nnsc1NN=O,CI,0 | |
| CNC(=O)c1nn[nH]c1O.[NaH],CI,0 | |
| Cc1csc(NNC(N)=O)n1,CI,0 | |
| Cl.ClCCc1ccccc1CC1=NCCc2ccccc21,CI,0 | |
| COc1cc(Cc2cc3c(c(C(=O)O)c2Br)OCO3)cc(OC)c1OC,CI,0 | |
| O=C1NC(Cc2ccc(O)cc2)C(=O)NC1Cc1ccc(O)cc1,CI,0 | |
| COc1c2c(cc3c1C(=O)c1c(O)cccc1C3=O)CC(O)CC2,CI,0 | |
| CC=C1CC2C(=O)CCC2C2c3ccccc3OC12,CI,0 | |
| O=c1[nH]nc(Cc2ccc(Cl)cc2)n1Nc1ccccc1,CI,0 | |
| COc1cc2c(cc1O)C1COc3cc4c(cc3C1O2)CCC(C)(C)O4,CI,0 | |
| CC1(C)CCc2cc3c(cc2O1)OC(C)(C)C1c2cc(O)c(OCc4ccccc4)cc2OC31,CI,0 | |
| COc1cc2c(cc1O)C1C(O2)c2ccc(OCc3ccccc3)cc2OC1(C)C,CI,0 | |
| COc1cc2c(cc1O)C1C(O2)c2c(OC)cc3c(c2OC1(C)C)CCC(C)(C)O3,CI,0 | |
| CCc1n[nH]c(=O)n1N=Cc1ccccc1O,CI,0 | |
| CCOC(=O)NNC(=N)Cc1ccc(Cl)cc1,CI,0 | |
| Cc1c(C(=O)O)n2c(=S)[nH]nc2c2ccccc12,CI,0 | |
| CCOC(=O)C1=CNC(C(=O)OCC)C1c1cccn1-c1ccccc1,CI,0 | |
| CCOC(=O)c1[nH]cc(C)c1-c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-],CI,0 | |
| COC(=O)CC1CN(C(=O)OCc2ccccc2)C(C)(C)O1,CI,0 | |
| CC(C)CC(NC(=O)C(C)(CI)Cc1ccccc1)C(=O)Nc1ccccc1,CI,0 | |
| O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CO)CSC12,CI,0 | |
| CC(C)(C)OC(=O)C1CCC(=S)N1Cc1ccccc1,CI,0 | |
| CCOC(=O)C(C#N)=CNc1c(C)n(C)n(-c2ccccc2)c1=O,CI,0 | |
| Cc1ccc(S(=O)(=O)Nn2c(S)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c2=O)cc1,CI,0 | |
| N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1-c1ccccc1,CI,0 | |
| Cc1ccc(S(=O)(=O)Nn2c(-c3ccccc3)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1,CI,0 | |
| N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1-c1ccccc1,CI,0 | |
| Cc1ccc(S(=O)(=O)Nn2c(-c3ccccc3)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c2=O)cc1,CI,0 | |
| COc1ccc(-c2c(C#N)c(O)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1,CI,0 | |
| Cc1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0 | |
| Cc1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1,CI,0 | |
| CN(C)c1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)Nn2c(-c3ccccc3)c(C#N)c(-c3ccc(N(C)C)cc3)c(C#N)c2=O)cc1,CI,0 | |
| Cc1ccc(-c2c(C#N)c(-c3ccccc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccccc2)cc1,CI,0 | |
| Cc1ccc(-c2c(C#N)c(-c3ccccc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0 | |
| Cc1ccc(-c2c(C#N)c(O)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0 | |
| Cc1ccc(-c2c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0 | |
| Cc1ccc(-c2c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccccc2)cc1,CI,0 | |
| Cc1ccc(-c2c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0 | |
| COc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0 | |
| COc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1,CI,0 | |
| Cc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1,CI,0 | |
| Cc1ccccc1-n1c(=O)c2ncn(CCCl)c2n(-c2ccccc2C)c1=S,CI,0 | |
| O=c1c2[nH]cnc2n(-c2ccccc2)c(=S)n1-c1ccccc1,CI,0 | |
| c1ccc(-c2ccc(N=NN3CCCC3)cc2)cc1,CI,0 | |
| Cc1ccccc1S(=O)(=O)Nn1cnc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O,CI,0 | |
| Oc1ccc2ccccc2c1C1=NNC(c2ccc(Cl)cc2)C1,CI,0 | |
| CC(=O)N1N=C(c2c(O)ccc3ccccc23)CC1c1ccc(Cl)cc1,CI,0 | |
| CN(C)c1ccc(C2CC(c3ccc4ccccc4c3O)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CI,0 | |
| O=C1CC(=O)NC(NN2C(=O)CSC2c2ccccc2)=N1,CI,0 | |
| O=C1CC(=O)NC(NN2C(=O)CSC2c2ccc(Cl)cc2)=N1,CI,0 | |
| O=C1CC(=O)NC(NN2C(=O)CSC2c2ccc(Cl)c(Cl)c2)=N1,CI,0 | |
| CCN1CCC(O)(C=Cc2cccc(C)c2)C(C(=O)C=Cc2cccc(C)c2)C1.Cl,CI,0 | |
| CN(C)c1cc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)O)nc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)O)c1,CI,0 | |
| C[N+]12CCCCC1C(CN1C(=O)c3ccccc3C1=O)CCC2.[I-],CI,0 | |
| CSc1ncc2c(C#N)c3n(C)c4ccccc4n3c(=O)c2n1,CI,0 | |
| CSc1ncc2c(C#N)c3sc4ccccc4n3c(=O)c2n1,CI,0 | |
| Cc1cc(C(C#N)c2nc3ccccc3s2)nc(Cl)n1,CI,0 | |
| CNC(=O)N(CCC#N)CCN(C(=O)N(C)C)c1ccccc1,CI,0 | |
| CCN(C(=O)NC(C(=O)NC(C)C(=O)OC)C(C)C)c1ccccc1,CI,0 | |
| NC(=O)NNCc1c(-c2ccccc2)no[n+]1[O-],CI,0 | |
| CCOC(=O)CCc1c(C)c2ccc(O)cc2oc1=O,CI,0 | |
| CCOC(=O)CCC(NC(=O)c1ccc(CNc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC,CI,0 | |
| O=C(O)CCC(NC(=O)c1ccc(CNc2nc3ccccc3nc2C(=O)O)cc1)C(=O)O,CI,0 | |
| CCOC(=O)CCC(NC(=O)c1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1)C(=O)OCC,CI,0 | |
| O=C(O)CCC(NC(=O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)O,CI,0 | |
| COc1cc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc(OC)c1OC,CI,0 | |
| COc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1OC,CI,0 | |
| COc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1,CI,0 | |
| O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(Cl)c(Cl)c1,CI,0 | |
| O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(F)cc1,CI,0 | |
| ON=CC1COC2(CCCCC2)O1,CI,0 | |
| CC1(C)OCC(C(C=O)OCc2ccccc2)O1,CI,0 | |
| O=C1C(=Cc2cccs2)NC(=S)N1CN1CCCCC1,CI,0 | |
| CSC1=NC(=Cc2ccc(Cl)cc2)C(=O)N1CN1CCCCC1,CI,0 | |
| Cc1cn(C2CC(N(O)C(N)=O)C(CO)O2)c(=O)[nH]c1=O,CI,0 | |
| CCOC(=O)CCC1(C)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O,CI,0 | |
| COc1ccc(C2CC(c3c(C)nn(-c4ccccc4)c3-c3ccc(C)cc3O)=NN2c2ccccc2)cc1,CI,0 | |
| C#CCOC(=O)c1ccc(OC(C)=O)cc1,CI,0 | |
| CC12CCC(C(C(O)C3CCCCC3)C1=O)C2(C)C,CI,0 | |
| O=C(OCC1CC(C2(O)CCCCC2)C(=O)O1)c1ccccc1,CI,0 | |
| CC1(C)OCC(C2OC(OC(=O)c3ccc(C(F)(F)F)cc3)C3OC(C)(C)OC23)O1,CI,0 | |
| O=C1CSC2=NC3=C(COCC3=Cc3ccc(Br)cc3)C(c3ccc(Br)cc3)N12,CI,0 | |
| Nc1nc2c(c(-c3ccc(F)cc3)n1)COCC2=Cc1ccc(F)cc1,CI,0 | |
| Nc1nc2c(c(-c3cccc(Cl)c3)n1)COCC2=Cc1cccc(Cl)c1,CI,0 | |
| Nc1nc2c(c(-c3ccccc3Cl)n1)COCC2=Cc1ccccc1Cl,CI,0 | |
| Oc1nc2c(c(-c3ccc(F)cc3)n1)COCC2=Cc1ccc(F)cc1,CI,0 | |
| Oc1nc2c(c(-c3ccc(Br)cc3)n1)COCC2=Cc1ccc(Br)cc1,CI,0 | |
| Oc1nc2c(c(-c3cccc(Cl)c3)n1)COCC2=Cc1cccc(Cl)c1,CI,0 | |
| O=C(c1ccccc1)c1ccc(COc2ccc(C(c3c(O)c4ccccc4oc3=O)c3c(O)c4ccccc4oc3=O)cc2)cc1,CI,0 | |
| O=[N+]([O-])c1ccc(O)c(C=NNC(=S)N2CCCCC2)c1,CI,0 | |
| S=C(NCCc1ccccn1)NN=C(c1ccccc1)c1ccccn1,CI,0 | |
| CNC(=S)NN=C(C)c1cc(OC)c(OC)cc1O,CI,0 | |
| CCOC(=O)C1C2NC(=O)NC1(C)Oc1ccccc12,CI,0 | |
| CCC1C(NC(=O)OC)C(=O)N1C(C)c1ccccc1,CI,0 | |
| CC(CCC1=NCCN1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CI,0 | |
| CC(CCC1=NCCN1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,CI,0 | |
| Cc1ccnc2c1c(=O)c1ccccc1n2C,CI,0 | |
| Cn1c(=O)c2sc3cc4c(cc3c2c2ccccc21)sc1c(=O)n(C)c2ccccc2c14,CI,0 | |
| O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCCC1,CI,0 | |
| COc1cccc2c(Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccc([N+](=O)[O-])cc3nc12,CI,0 | |
| COc1cccc2c(NNc3ccccc3)c3ccc([N+](=O)[O-])cc3nc12,CI,0 | |
| COc1ccc2nc3cc([N+](=O)[O-])ccc3c(Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c2c1,CI,0 | |
| COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NNc3ccccc3)c2c1,CI,0 | |
| COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NNc3ccc(Cl)cc3)c2c1,CI,0 | |
| Clc1c2ncccc2cc2nn[nH]c12,CI,0 | |
| CC(=O)Oc1c(C)c2c(c3ccccc13)OC(C)(C)C2,CI,0 | |
| CC(=O)Oc1c(C)c2c(c3ncccc13)OC(C)C2,CI,0 | |
| O=C(c1ccco1)N(C(=O)N1CCCCC1)c1ccccc1,CI,0 | |
| CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2,CI,0 | |
| CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2,CI,0 | |
| CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CCN(C)C2,CI,0 | |
| CC(=O)Nc1nc2c(=O)c3ccccc3sc2s1,CI,0 | |
| Cc1cn(C2COC(C)(CO)O2)c(=O)[nH]c1=O,CI,0 | |
| Nc1ncnc2c1ncn2C1C(CO)C(CO)C1(F)F,CI,0 | |
| Nc1ncnc2c1ncn2C1OC2(CCSC2)C(O)C1O,CI,0 | |
| COc1ccc(C=NNc2nnc3c(n2)c2ccccc2c2nn(-c4ccccc4Cl)nc23)cc1,CI,0 | |
| CC1=[N+]2N=C(c3ccccc3)[OH+][Cu-5]234(O)[OH+]C(c2ccccc2)=N[N+]3=C(C)c2cccc1[n+]24,CI,0 | |
| N#Cc1c2c(cn3c1nc1ccccc13)CCCC2,CI,0 | |
| c1ccc2c(c1)Cc1cn3c(nc1-2)nc1ccccc13,CI,0 | |
| N#Cc1cc2c(n(NS(=O)(=O)c3ccccc3)c1=O)CCCC2,CI,0 | |
| Cc1ccc(S(=O)(=O)Nn2c3c(cc(C#N)c2=O)CCCC3)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)Nn2c3c(cc(C#N)c2=O)CCC3)cc1,CI,0 | |
| O=C(c1ccccc1)c1cc2c(nc1O)CCCCCC2,CI,0 | |
| CCOC(=O)c1c(C)nc2c(c1-c1cn(-c3ccccc3)nc1-c1ccccc1)C(=O)c1ccccc1-2,CI,0 | |
| O=c1c2ccc(Cl)cc2oc2c(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)cccc12,CI,0 | |
| O=c1c2ccc(Cl)cc2oc2c(CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cccc12,CI,0 | |
| NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1,CI,0 | |
| CC(=O)NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1,CI,0 | |
| N=C(N)NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1,CI,0 | |
| COc1ccccc1NCc1cccc2c(=O)c3ccc(Cl)cc3oc12,CI,0 | |
| CCCNc1c(Cl)cc(Cl)c2[nH]c3ccccc3c(=O)c12,CI,0 | |
| O=[N+]([O-])c1ccc(CSc2nncc3nc[nH]c23)cc1,CI,0 | |
| O=C1OC(CN2CCN(c3ccccc3)CC2)CN1C(=S)Nc1ccccc1,CI,0 | |
| N#CCCN(CCC#N)c1ccc(C=C2SC(=S)NC2=O)cc1,CI,0 | |
| Cc1cc(N(CCC#N)CCC#N)ccc1C=C1SC(=S)NC1=O,CI,0 | |
| COc1cc(N(CCC#N)CCC#N)ccc1C=C1SC(=S)NC1=O,CI,0 | |
| N#CCCN(CCC#N)c1ccc(C=C2SC(=S)NC2=O)cc1Br,CI,0 | |
| CN(CCC#N)c1ccc(C=C2SC(=S)NC2=O)cc1,CI,0 | |
| O=c1cc(-c2ccccc2)oc2c1ccc1nc3ccccc3c(O)c12,CI,0 | |
| O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc([N+](=O)[O-])cc1,CI,0 | |
| O=c1[nH]nc(-c2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1,CI,0 | |
| Cc1ccc(C=Nn2c(-c3ccc(C)cc3)n[nH]c2=O)cc1,CI,0 | |
| S=C(c1c[nH]c2ccccc12)N1CCCCC1,CI,0 | |
| O=C(CN1CCOCC1)c1ccc2c(c1)oc(=O)n2CCN1CCOCC1,CI,0 | |
| N#Cc1nc(C(=O)c2ccccc2)oc1N,CI,0 | |
| O=C(O)C1CC(O)CN1C(=O)OCc1ccccc1,CI,0 | |
| COC(=O)C1CC(OS(=O)(=O)c2ccc(C)cc2)CN1C(=O)OCc1ccccc1,CI,0 | |
| Cc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)O)cc1,CI,0 | |
| CCOC(=O)C=C1CC(NC(=O)OCc2ccccc2)C(=O)N1CC(=O)OCC,CI,0 | |
| O=C(Nc1ccccc1C(=O)O)C(=Cc1ccccc1)NC(=O)c1ccccc1,CI,0 | |
| N=c1c2c(-c3ccccc3)c[nH]c2ncn1N,CI,0 | |
| CC1C(c2ccccc2)O[Si](C(C)(C)C)(C(C)(C)C)C1C,CI,0 | |
| COc1ccc(OC)c2cc(Cc3ccc(N(C)C)cc3)c(=O)c(Cc3ccc(N(C)C)cc3)cc12,CI,0 | |
| CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NNc1nc(O)c2ccccc2n1)OC(C)=O,CI,0 | |
| O=c1n(N=Cc2ccccc2)c(=O)n2n1C1C=CC2CC1,CI,0 | |
| O=c1[nH]c(=O)n2n1C1C=CC2CC1,CI,0 | |
| O=c1n(Cc2ccccc2)c(=O)n2c(=O)n(Cc3ccccc3)c(=O)n12,CI,0 | |
| CC12CCC(=NOCCN3CCCCC3)C=C1CCC1C2CCC2(C)C(O)CCC12.O=C(O)C(=O)O,CI,0 | |
| N#Cc1c(N)n(-c2cccc(C(=O)O)c2)c(=O)c2cc([N+](=O)[O-])ccc12,CI,0 | |
| N#Cc1c2ccc([N+](=O)[O-])cc2c(=O)n2c1[nH]c1ccc(C(F)(F)F)cc12,CI,0 | |
| Cc1cn(CCCCCCOC(=O)NC(CCCNC(N)=O)C(=O)O)c(=O)[nH]c1=O,CI,0 | |
| COc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12.Cl,CI,0 | |
| CCN1CCC(O)(C=Cc2ccc(C(C)C)cc2)C(C(=O)C=Cc2ccc(C(C)C)cc2)C1.Cl,CI,0 | |
| CCOC(=O)c1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)C3c1ccc(Cl)cc1,CI,0 | |
| CCOC(=O)n1c(=O)nc2c3c(ncn21)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)C3c1ccc(Cl)cc1,CI,0 | |
| O=C(O)C1CSC(c2ccc(C(F)(F)F)cc2)N1,CI,0 | |
| O=C(O)C1CSC(C(O)CO)N1,CI,0 | |
| CCn1c(SCC(=O)NNC(=S)NC)nc2ccccc2c1=O,CI,0 | |
| CCn1c(SCC(=O)NNC(=S)Nc2ccc(Cl)cc2)nc2ccccc2c1=O,CI,0 | |
| CCn1c(SCC(=O)NNC(=S)Nc2ccc(F)cc2)nc2ccccc2c1=O,CI,0 | |
| CCn1c(SCC(=O)NNC(=S)Nc2ccc(C)cc2)nc2ccccc2c1=O,CI,0 | |
| COc1ccc(C=C2CCS(=O)(=O)c3ccccc3C2=O)cc1OC,CI,0 | |
| Cc1ccc2c(c1)C(=C(C#N)C#N)CCCS2(=O)=O,CI,0 | |
| CC(C)(Cc1ccccc1)N1C(=O)N1C(C)(C)Cc1ccccc1,CI,0 | |
| O=C(Nc1ccc(-c2cccs2)oc1=O)c1ccccc1,CI,0 | |
| Cc1cc(-c2cccs2)oc(=O)c1NC(=O)c1ccccc1,CI,0 | |
| O=C(Nc1cc2c(oc1=O)CCCCC2)c1ccccc1,CI,0 | |
| Cn1ccc(C(=O)NCCOCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O,CI,0 | |
| Nc1c2ccccc2nc2c1ccc1ncccc12,CI,0 | |
| COC(=O)C1=CC(=O)OC1(OO)c1ccccc1,CI,0 | |
| COC(=O)C1=C(C(=O)OC)C(Cc2ccccc2)(OO)OC1=O,CI,0 | |
| COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nc(=O)n4CCCN(C)C)c2c1.Cl,CI,0 | |
| COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(ncn4CCN(C)C)c2c1.Cl,CI,0 | |
| N#Cc1c(-c2ccccc2)cn(C(=O)c2ccccc2)c1N,CI,0 | |
| CSc1c(C(N)=S)c(=N)[nH]n1-c1ccccc1,CI,0 | |
| CSc1c(C#N)c(S)n(-c2ccc(Cl)cc2)c(=O)c1C#N,CI,0 | |
| Cc1ccc(-n2c(N)c(C#N)c3[nH][nH]c(=N)c3c2=O)cc1,CI,0 | |
| Cn1c(=O)c2c(nc3n(CC(O)CCl)c(=O)ccn23)n(C)c1=O,CI,0 | |
| COC(=O)Cc1c2n(c3ccccc13)C(=O)N1c3ccccc3C(CC(=O)OC)C21,CI,0 | |
| COC(=O)Cc1c(C2C(CC(=O)OC)c3ccccc3N2C(=O)C(F)(F)F)[nH]c2ccccc12,CI,0 | |
| COC(=O)Cc1c(-c2c(CC(=O)OC)c3ccccc3n2C2OC(COC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C(O)C2O)[nH]c2ccccc12,CI,0 | |
| COC(=O)Cc1c(-c2c(CC(=O)OC)c3ccccc3n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)[nH]c2ccccc12,CI,0 | |
| O=C1O[IH2](C#Cc2ccccc2)c2ccccc21,CI,0 | |
| CC(=O)O[IH2]1NC(=O)c2ccccc21,CM,1 | |
| Cc1ccc2c(c1)C=CC1(O2)N(c2ccccc2)C(=S)OC1(C)C,CI,0 | |
| O=[N+]([O-])c1cccnc1-n1cnc2ccccc21,CI,0 | |
| c1ccc(C2(c3cc4ccccc4[nH]3)OCCO2)nc1,CI,0 | |
| O=S(=O)(c1ccccc1)n1c(C(O)c2ccccc2)cc2ccccc21,CI,0 | |
| O=[N+]([O-])c1ccc(-n2nnc3ccccc32)nc1,CI,0 | |
| COC(=O)C1=C(C(=O)OC)N(c2ccc(OC)cc2[N+](=O)[O-])C(c2ccc(C)cc2)=CC1c1ccc(OC)cc1OC,CI,0 | |
| COC(=O)N=[N+]([O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0 | |
| C#CC1(O)CCC2C3CCC4=CC(=NOCCN(C)C)CCC4(C)C3CCC21C,CI,0 | |
| COc1ccc(-n2cnc3c(NC(Cc4ccccc4)C(=O)O)ncnc32)cc1,CI,0 | |
| COc1ccc(-n2cnc3c(NC(C)(C)C(=O)O)ncnc32)cc1,CI,0 | |
| COC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)Nc1ncnc2c1ncn2-c1ccc(OC)cc1,CI,0 | |
| COC(=O)c1cc(C(=CC(=O)OC(C)(C)C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC,CI,0 | |
| Cn1c2ccccc2n2c(=O)c3cc([N+](=O)[O-])ccc3c(C#N)c12,CI,0 | |
| CC(=O)Nc1ccc2c(c1)nc1c3ccccc3ccn21,CI,0 | |
| CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(C(=O)O)[nH]1,CI,0 | |
| Cc1cn(C2CC(NC(=O)NO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0 | |
| Cc1c(Cc2ccccc2)n(C(C)OCCN2C(=O)C=CC2=O)c(=O)[nH]c1=O,CI,0 | |
| Oc1ccc2c(c1)c1c(n2CCN2CCOCC2)-c2ccccc2CC1,CI,0 | |
| COc1ccc2c(c1)CCN=C2Cc1cc(OC)c(OC)cc1CCCl.Cl,CI,0 | |
| CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OCC3CCC(n4cnc5c(O)ncnc54)O3)O2)c(=O)n1,CA,1 | |
| Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)O2)c(=O)[nH]c1=O,CA,1 | |
| CCC(C)C(NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)C(C)O)C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(N)=O,CI,0 | |
| COC(=O)C1CCCN1CCN1CCCC1C(=O)OC.Cl,CI,0 | |
| CCOC(=O)C12C(=C(c3ccccc3)OC3C=CCCC31)C(=O)C(=O)N2c1ccccc1,CI,0 | |
| CCOC(=O)c1oc2cc3c(c4c2c1c1ccccc1n4C)C=CC(C)(C)O3,CI,0 | |
| COc1ccc(CCN(C)C(=O)CC(C#N)(c2ccccc2)c2ccc(OC)c(OC)c2)cc1OC,CI,0 | |
| CCCNC1=NC(C)=CSC(Nc2ccccc2)=C1C#N,CI,0 | |
| N#CC1=C(Nc2ccccc2)SC=C(c2ccccc2)N=C1NCc1ccccc1,CI,0 | |
| CNc1ncnc2c1nc(NC1CCCC1)n2C1OC(CO)C(O)C1O,CI,0 | |
| S=C(NN=C(C(=NNC(=S)N1CCCCC1)c1ccccn1)c1ccccn1)N1CCCCC1,CI,0 | |
| CC(=NNC(=S)N1CCN(C(=S)NN=C(C)c2ccccn2)CC1)c1ccccn1,CI,0 | |
| COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)O1,CI,0 | |
| O=C(C=Cc1ccc2c(c1)OCO2)NCCc1ccco1,CI,0 | |
| CC1(C)OCC=CCO1,CI,0 | |
| CN1Cc2cc(O)c(O)cc2C(O)C1,CI,0 | |
| Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)cc2c1,CI,0 | |
| Cc1cccc2c(N)c3cccc(C(=O)NCCCNCCN)c3nc12.Cl,CI,0 | |
| CNc1c2cccc(C)c2nc2c(C(=O)NCCN(C)C)cccc12.Cl,CI,0 | |
| COC(=O)C1CCC(=S)N1C(=O)c1ccccc1,CI,0 | |
| COC(=O)C1CC(C=[N+](C)C)=C(SC)N1.[I-],CI,0 | |
| Cc1oc2c(c1C)S(=O)(=O)C(C#N)C(c1ccccc1)N2,CI,0 | |
| Clc1c2ccccc2nc2c1[nH]c1ccccc12,CI,0 | |
| CC(C)(C)OC(=O)N1CCC(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1,CI,0 | |
| CC(=O)NC1C(CO)OC2OC(C)(C)OC21,CI,0 | |
| CC1(C)OC2OC(CO)C(OS(C)(=O)=O)C2O1,CI,0 | |
| CC1(C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(N=[N+]=[N-])C2O1,CI,0 | |
| COC(=O)CN(CC(O)C(NC(C)=O)C(O)C=O)C(=O)OCc1ccccc1,CI,0 | |
| Oc1cnc2c(O)cccc2c1,CI,0 | |
| O=C1NC(C(CCCCCO)OC(=O)c2ccccc2)CO1,CI,0 | |
| Cc1cn(C2CC(NC(=O)NO)C(CO)O2)c(=O)[nH]c1=O,CI,0 | |
| CN(C)c1ccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc1,CI,0 | |
| COC(=O)CCC1=CCC2(SC)C(=O)Nc3cccc1c32,CI,0 | |
| O=C1c2n[nH]nc2C(=O)c2n[nH]nc21,CI,0 | |
| O=[N+]([O-])c1ccc2[nH]ncc2c1Cl,CI,0 | |
| CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1)C(=O)OCC,CI,0 | |
| CCOC(=O)c1cc(Br)c(-c2onc(C)c2Br)[nH]1,CI,0 | |
| CCOC(=O)c1cc2c3c(cc(OC)c2[nH]1)N(C(=O)OCC)CC3,CI,0 | |
| CCOC(=O)c1cc(C2CCN(CC(C)CC)C2=S)c(-c2cc(C)no2)[nH]1,CI,0 | |
| CN(C)CCCNc1nnc(NCCCN(C)C)c2c(=O)c3sccc3[nH]c12.Cl,CI,0 | |
| CN(C(=O)C1=CCCCCC1)c1ccccc1I,CI,0 | |
| C[Si](C)(C)CCOCN(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1I,CI,0 | |
| Clc1cc(Br)c2c3c(c(Br)cc(Cl)c13)C(Br)=C2Br,CI,0 | |
| COc1ccc(Cc2cc(Cc3ccc(OC)cc3)cc(Cc3ccc(OC)cc3)c2)cc1,CI,0 | |
| COC(=O)C(Cc1ccccc1)NC(=O)N(CCNC(=O)OC(C)(C)C)c1ccccc1,CI,0 | |
| COC(=O)C(Cc1ccccc1)NC(=O)N(CCC#N)CCCCN(CCC#N)C(=O)NC(Cc1ccccc1)C(=O)OC,CI,0 | |
| O=C(Nc1ccccc1)N(CCCCN(Cc1ccccc1)C(=O)Nc1ccccc1)Cc1ccccc1,CI,0 | |
| CCN(CCN(CC)C(=O)NC)C(=O)NC,CI,0 | |
| O=C(Nc1ccccc1)N(CCN(Cc1ccccc1)C(=O)Nc1ccccc1)CCN(Nc1ccccc1)C(=O)Nc1ccccc1,CI,0 | |
| CCN(CCCN(CC)C(=O)Nc1c(C)cccc1C)C(=O)Nc1c(C)cccc1C,CI,0 | |
| Cc1cn(COCC(O)C[N+](=O)[O-])c(=O)[nH]c1=O,CI,0 | |
| CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1=CC(=N)NO,CI,0 | |
| CC(=O)N1c2ccccc2C(C)C1c1[nH]c2ccccc2c1C,CI,0 | |
| CCOC(=O)C(C(=O)c1ccc[nH]1)=C1CCCN1C,CI,0 | |
| Cn1c(C(O)C2(c3cccnc3)SCCCS2)cc2ccccc21,CI,0 | |
| O=C(NNC(=O)c1ccccc1O)c1ccc(O)cc1,CI,0 | |
| O=C(NNC(=O)c1ccccc1O)c1cccs1,CI,0 | |
| Cc1c2cccc-2c(OCCO)cc2c1[nH]c1ccccc12,CI,0 | |
| COc1ccc(C=CC(=O)c2nc3ccccc3[nH]2)cc1,CI,0 | |
| O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1,CI,0 | |
| COc1ccc(C=CC(=O)c2nc3ccccc3n2C)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)N(CCNC(=O)c2cccc(O)c2O)c2cc3c4c(c2)Oc2cccc5c2C4(C)c2c(cccc2O3)O5)cc1,CI,0 | |
| CON(C)C(=O)C1CC1(C)CO,CI,0 | |
| CON(C)C(=O)C1CCCO1,CI,0 | |
| O=C1CCCC2OC(COC(=O)c3ccccc3)CC2O1,CI,0 | |
| Nc1nc(N)c2cc(Sc3ccc4nc(N)nc(N)c4c3)ccc2n1,CI,0 | |
| N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1,CI,0 | |
| N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1,CI,0 | |
| N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1,CI,0 | |
| COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)cc1,CI,0 | |
| COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)c(OC)c1,CI,0 | |
| CC(=O)c1c(O)cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1O,CI,0 | |
| OCC1OC(c2cccc3cc(O)c(O)cc23)CC1O,CI,0 | |
| NS(=O)(=O)c1nnc(N=C(CCC(=O)O)C(=O)O)s1,CI,0 | |
| Clc1ccc(C(Cc2ccccc2)c2c(Cl)nc(N3CCNCC3)nc2Cl)cc1,CI,0 | |
| CCOC(=O)N1c2c(c3ccccc3n2C(=O)OCC)C(=O)C(OC)N1C(=O)OCC,CI,0 | |
| O=C(CCCCC1CCSS1)N(C(=O)NC1CCCCC1)C1CCCCC1,CI,0 | |
| COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)CC2(O)C=CCC2)cc1,CI,0 | |
| COc1cc(C(c2cc(OC)c(OC)c(OC)c2)N2C(=O)CCC2C(=O)O)cc(OC)c1OC,CI,0 | |
| COC(=O)C1CCC(=O)N1C(c1cc(OC)c(OC)c(OC)c1)c1cccc2ccccc12,CI,0 | |
| COc1cc(C2C3C=CC=C4CC=CC(=C43)C3CCC(=O)N32)cc(OC)c1OC,CI,0 | |
| COc1cc(C2c3cccc4cccc(c34)C3CCC(=O)N32)cc(OC)c1O,CI,0 | |
| COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc([N+](=O)[O-])c6[nH]c7ccccc7c(=O)c56)c4c(C)c3c2c1.CS(=O)(=O)O,CI,0 | |
| CC(=O)Nc1sccc1S(=O)(=O)c1ccc(Cl)cc1,CI,0 | |
| CCC1OC2C(CC=C(C)C)=C3OC(C)(O)C(C)(CC)C(=O)C3=C3OC(=O)C=C1C32,CI,0 | |
| CCC1OC2C(CC=C(C)C)=C3OC(C)(O)C(C)(CC)C(O)C3=C3OC(=O)C=C1C32,CI,0 | |
| CCC1OC2C(CC=C(C)C)=C3OC(C)(O)C(C)(CC)C(OC(C)=O)C3=C3OC(=O)C=C1C32,CI,0 | |
| CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(C(=O)OC)s1,CI,0 | |
| OCC1OCC(n2cnc3c(O)ncnc32)C1O,CI,0 | |
| COC(OC)C1OC(CO)C(n2cc(F)c(=O)[nH]c2=O)C1O,CI,0 | |
| COC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCNC(=O)c1cc(CNC2=NCCN2)cc(CNC2=NCCN2)c1.Cl,CI,0 | |
| Cc1c2ccc(Cl)cc2nc2ccc(OCCCCCCNC(=O)CCCNC(=N)N)cc12.Cl,CI,0 | |
| Cc1c2ccc(Cl)cc2nc2ccc(OCCCCCCNC(=O)C(N)CCCNC(=N)N)cc12.Cl,CI,0 | |
| Cc1c2ccc(Cl)cc2nc2ccc(OCCNC(=O)C(N)CCCNC(=N)N)cc12.Cl,CI,0 | |
| c1cc2cc(c1)CN1CCNCCN(CCNCC1)Cc1cccc(c1)CN1CCNCCN(CCNCC1)C2,CI,0 | |
| COP1(=O)OCc2cnccc2O1,CI,0 | |
| CC1(C)C(=O)C(C)(C)C12SSC1(S2)C(C)(C)C(=O)C1(C)C,CI,0 | |
| CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2,CI,0 | |
| N#Cc1c(NC(=O)CN2CCOCC2)c(C(=O)Nc2ccccc2)n2c1CCC2,CI,0 | |
| Cc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)c(C#N)c3n2CCC3)cc1,CI,0 | |
| COc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)c(C#N)c3n2CCC3)cc1,CI,0 | |
| N#Cc1c(N=C2CCCCC2)c(C(=O)Nc2ccccc2)n2c1CCC2,CI,0 | |
| Cn1c(=N)c(C#N)c2n(c1=S)CCCCCCC2,CI,0 | |
| N#Cc1c2n(c(=S)n(-c3ccccc3)c1=N)CCCCCCC2,CI,0 | |
| Cc1cc(S(=O)(=O)Nc2nc3cccc4cccc([nH]2)c43)c(S)cc1Cl,CI,0 | |
| N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(N)C2=O,CI,0 | |
| Oc1ccc(Cc2nc3ccccc3[nH]2)cc1,CI,0 | |
| Clc1ccccc1OCc1nc2ccccc2[nH]1,CI,0 | |
| COc1ccc(Cc2nc3ccccc3[nH]2)cc1OC,CI,0 | |
| Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNc1nc(-c3ccccc3)cs1)C(=CNc1nc(-c3ccccc3)cs1)C(=O)C(O)=C2C(C)C,CI,0 | |
| Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNc1c3ccccc3nc3ccccc13)C(=CNc1c3ccccc3nc3ccccc13)C(=O)C(O)=C2C(C)C,CI,0 | |
| COC(=O)c1nc2c(C)c(O)c(Oc3c(C)c(O)c(O)c(C(C)CCC=C(C)C)c3O)c(C(C)CCC=C(C)C)c2o1,CI,0 | |
| CC(C)=CCCC(C)C1=C(N)C(=O)C(C)=C(O)C1=O,CI,0 | |
| CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2F)C1=O,CI,0 | |
| CC(C)=CCCC(C)C1=C(Nc2ccccc2)C(=O)C(C)=C(O)C1=O,CI,0 | |
| S=c1[nH]nc(CNc2ccc(-c3n[nH]c(=S)n3-c3ccc(Cl)cc3)cc2)n1-c1ccc(Cl)cc1,CI,0 | |
| Nn1c(CNc2ccc(-c3nnc(Nc4ccc(Cl)cc4)n3N)cc2)nnc1Nc1ccc(Cl)cc1,CI,0 | |
| COc1ccc(C=C2SC(c3ccccc3)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)C(=Cc4ccc(OC)c(OC)c4)SC3c3ccccc3)C2=O)cc1OC,CI,0 | |
| c1cnc(SCc2nc3ccccc3o2)nc1,CM,1 | |
| O=C(N1CC2(CN(C(=O)C(F)(F)F)CC3(C1)OCCO3)OCCO2)C(F)(F)F,CI,0 | |
| COc1cc2c(cc1OC)OC(c1c(OC)ccc(OC)c1O)CC2,CI,0 | |
| CC(C)(C)COC1C2(OCCO2)C2CCC1(C)C2(C)C,CI,0 | |
| COC(=O)CCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1,CI,0 | |
| N=c1c2c3n(c4c(=O)n(-c5ccccc5)c(=S)n(c(=O)n1-c1ccccc1)c24)CCCCC3,CI,0 | |
| CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O,CM,1 | |
| CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N1CCCC1C(=O)NC(CCC(=O)NCCNCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O,CI,0 | |
| COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C,CI,0 | |
| COc1ccc(CC2CN(C(=O)c3ccccc3)C(Cc3ccc(O)cc3)CN2C(=O)c2ccccc2)cc1Br,CI,0 | |
| CC12C=CC(C)(C3C(=O)C4C(C(=O)C31)C1(C)C=CC4(C)S1=O)S2=O,CM,1 | |
| CC1(C)COC(CCCCCNC2=NCCCCC2)=N1,CI,0 | |
| O=P(O)(O)C(N=C(Nc1ccccc1)Nc1ccccc1)P(=O)(O)O,CI,0 | |
| Cc1cc(C)nc(NC(P(=O)(O)O)P(=O)(O)O)n1.[NaH],CI,0 | |
| Cc1cn(C2CC(CC=[N+]([O-])CC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O,CI,0 | |
| CC(C)(C)[Si](C)(C)OCC1=C(CC#N)C(O[Si](C)(C)C(C)(C)C)C(n2ccc(=O)[nH]c2=O)O1,CI,0 | |
| Cc1ccc(-c2nc3cc(F)c(N4CCN(C)CC4)cc3[nH]2)cc1,CI,0 | |
| Cc1cc2c(O)nnc(N)c2c(N)n1,CI,0 | |
| COC1(OC)NC(=N)C2(C#N)C(c3ccccc3)NC3=C(CCC3)C12C#N,CI,0 | |
| N#CC12C(=O)N3C(=NC(c4ccccc4)NC3c3ccccc3)C1(C#N)C(c1ccccc1)NC1=C2CCC1,CI,0 | |
| N=C1OC(CN2CCN(c3ccccc3)CC2)CN1C(=O)Nc1ccccc1,CI,0 | |
| N#Cc1nc2ccccc2nc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CI,0 | |
| C=C(C(=O)O)C1CCC(CCC=C(C)CCC=C(C)CCC=C(C)C)CO1,CI,0 | |
| Nc1ccc2c(c1)C(=O)N1CCCC1C(=O)N2,CI,0 | |
| COCN1C(=O)C2CCCN2C(=O)c2cc(Cl)ccc21,CI,0 | |
| CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3C,CI,0 | |
| CNc1nc(SC)nc2c1c(=N)[nH]n2C,CI,0 | |
| CSc1nc(Nc2ccccc2Cl)c2c(=N)[nH]n(C)c2n1,CI,0 | |
| CCOC(=O)c1[nH]c2nc(SC)nc(Nc3ccccc3Cl)c2c1N,CI,0 | |
| c1ccc(COc2nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3[nH]2)cc1,CI,0 | |
| CCOC(=O)C1(CC=CCBr)CCCC1=O,CI,0 | |
| c1ccc2c(c1)[nH]c1nc3cc(-c4ccc5nc6c(nc5c4)[nH]c4ccccc46)ccc3nc12,CI,0 | |
| O=C1Nc2ccccc2C1S(=O)(=O)c1ccccc1,CI,0 | |
| Cc1cc2c(c(=O)n1C)SCC2,CI,0 | |
| COC(=O)C1(O)C(c2ccccc2)=NC2(C)CCCC21,CI,0 | |
| C=C(CCC(=O)N(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1CSCC)C(=O)OC,CI,0 | |
| C=CCCC(=O)N1CCC(C(=O)OCC)C1=O,CI,0 | |
| C=C(CC(=O)Nc1ccc(C(=O)OC)o1)C(=O)OC,CI,0 | |
| CC1=NNC(=N)NC1=CC(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl,CI,0 | |
| Cc1nnc(N)nc1C=Cc1ccc(N(C)C)cc1,CI,0 | |
| COc1cc(OC)cc(Oc2nc3cc(F)c(F)cc3nc2-c2ccccc2)c1,CI,0 | |
| C#CCN(Cc1ccc2nc(OC)c(OC)nc2c1)c1cc(OC)c(OC)c(OC)c1,CI,0 | |
| CC1=C(C)C(=O)C(C2=C(C3=CC(=O)C(C)=C(C)C3=O)C(=O)c3ccccc3C2=O)=CC1=O,CI,0 | |
| COc1cc(C2=C(c3cc(OC)c4ccccc4c3OC)C(=O)c3ccccc3C2=O)c(OC)c2ccccc12,CI,0 | |
| CCCCC1C=Cn2c(=O)oc3c(OC(C)C)c(OC(C)C)c(O)c1c32,CI,0 | |
| OC1(C#Cc2ccc3c(c2)OCO3)CCCC1NCc1ccccc1,CI,0 | |
| C(#CC12CCCC1NCO2)c1ccc2c(c1)OCO2,CI,0 | |
| COc1ccccc1C1CC(=O)CC(c2ccccc2OC)C12C(=O)NC(=S)NC2=O,CI,0 | |
| O=C(NN1C(=O)C=CC1=O)c1ccccc1Nc1ccccc1C(=O)NN1C(=O)C=CC1=O,CM,1 | |
| S=c1[nH]nc(-c2ccccc2Nc2ccccc2-c2n[nH]c(=S)n2-c2ccccc2)n1-c1ccccc1,CM,1 | |
| O=C(CCCC[n+]1ccccc1)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.[Br-],CA,1 | |
| O=C(O)CCCC[n+]1ccccc1.[Br-],CI,0 | |
| O=C(O)CCCCC[n+]1ccccc1.[Br-],CI,0 | |
| O=C(O)CC[n+]1ccccc1.[Br-],CI,0 | |
| O=C(O)C[n+]1ccccc1.[Br-],CI,0 | |
| O=C(O)CCCCCCC[n+]1ccccc1.[Br-],CI,0 | |
| CC1OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(COC(=O)C=Cc4ccccc4)OC23)C(O)C(O)C1O,CI,0 | |
| CC1OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(COC(=O)C=Cc4ccc(O)cc4)OC23)C(O)C(O)C1O,CI,0 | |
| Cc1nn(-c2ccccc2)c2nc3ccc(Cl)cc3c(-c3ccccc3)c12,CI,0 | |
| COc1ccc(Nc2ccc3ccccc3c2-c2c(O)ccc3ccccc23)cc1,CI,0 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C,CA,1 | |
| COc1cc(CC2COC(=O)C2(O)Cc2ccc(O)c(OC)c2)ccc1O,CM,1 | |
| C=CCC1(c2ccccc2)Oc2cccnc2-n2cccc2C1=O,CI,0 | |
| CCCCNC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21,CI,0 | |
| NNC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21,CI,0 | |
| NS(=O)(=O)c1nnc(NC(=O)C=CC(=O)O)s1,CI,0 | |
| NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1,CI,0 | |
| OCC(O)C(O)C(O)C(O)C1SCCCS1,CI,0 | |
| C=C1CN(Cc2ccccc2)C2CCCCCC(C#N)C12,CI,0 | |
| COC1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O,CI,0 | |
| CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C2CCCN2CC(O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)OCc2ccccc2)C(C)CC)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O,CA,1 | |
| COc1cc(C=C2C(=O)N(c3cc(Cl)ccc3Cl)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC,CI,0 | |
| COc1ccccc1N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1c1ccccc1,CI,0 | |
| CC(=O)Oc1ccc(C=CC(=O)NCCOC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O,CI,0 | |
| O=C(C=Cc1ccc(O)c(O)c1)OCCCOC(=O)C=Cc1ccc(O)c(O)c1,CI,0 | |
| CC(OC(=O)C=Cc1ccc(O)c(O)c1)C(C)OC(=O)C=Cc1ccc(O)c(O)c1,CI,0 | |
| CC(=O)Oc1ccc(C=CC(=O)OC(C(=O)O)C(OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=O,CM,1 | |
| COc1ccc(S(=O)(=O)c2nnc(S(=O)(=O)Cc3ccccc3)s2)cc1,CI,0 | |
| CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1=CCO,CI,0 | |
| CCc1c(Cc2cc(C)cc(C)c2)n(COCCSc2ccccc2)c(=O)[nH]c1=O,CA,1 | |
| C=CC1(C)OC2(CCN(C(=O)OCC)CC2)OC1C,CI,0 | |
| CCC1(O)CC2CC(=O)OC2C1O,CI,0 | |
| COC(=O)C1=C(C(=O)OC)c2cc(OC)ccc2C(C(=S)N(C)C)S1,CI,0 | |
| CCCN(CCCc1ccccc1)CCc1ccc2[nH]c(=S)[nH]c2c1,CI,0 | |
| COc1ccc(N2C(=O)C3CC4=CC(=O)CC4C32)cc1,CI,0 | |
| O=C1CCC2COC(c3ccccc3)N12,CI,0 | |
| CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(CO)C(OP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)C2O)c(=O)n1,CA,1 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)O)c5)CCC4(C)C3CCC12C,CI,0 | |
| COc1c(Cl)cc(C(=CCCCC(=O)O)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O,CI,0 | |
| CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3C2C1,CI,0 | |
| COC(=O)C1CC2C(c3ccccc3Br)C(OC(C)=O)C(OCc3ccccc3)ON2O1,CI,0 | |
| COCc1cc2c(cc1C(=C[N+](=O)[O-])CS(=O)(=O)c1ccccc1)OCO2,CI,0 | |
| CC(=O)OC1C(OC2CCCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC12CCCCC2,CI,0 | |
| CCOC(=O)C1ON2OC(OC3CCCCC3c3ccccc3)CC3OC(=O)C1C32,CI,0 | |
| CC(C)(C)OC(=O)C=CC(=O)OC=C[N+](=O)[O-],CI,0 | |
| COC1OC2C(O)CN3C(=O)C(OS(=O)(=O)c4ccc(C)cc4)C1C23,CM,1 | |
| CC(C)(C)N=C1C(=O)C2(C)CCC1C2(C)C,CI,0 | |
| CC(C)(C)NC1C2CCC(C)(C1O)C2(C)C,CI,0 | |
| CCC(=COC)P1(=O)OC(C)(C)CN1C(C)(C)C,CI,0 | |
| CC(C)C1CC=NN1C(=O)OC(C)(C)C,CI,0 | |
| CC(C)(C)OC(=O)N1NC(c2ccccc2)CC1c1ccccc1,CI,0 | |
| COC1CC(COCc2ccccc2)CC(OC)O1,CI,0 | |
| CC(C)(C)OC(=O)N1C(=O)C2CCCC21,CI,0 | |
| COC(=O)c1cc(Cc2cc(Br)cc(C(=O)OC)c2O)cc(Cl)c1O,CI,0 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CM,1 | |
| COc1c(C)cc(C(=O)c2cc(C)c(OC)c(Br)c2)cc1Br,CI,0 | |
| CCSc1c2cc(OC)ccc2nc2ccc(OC)cc12,CI,0 | |
| CCS(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc12,CI,0 | |
| CCS(=O)(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc12,CI,0 | |
| ClCCSc1c2ccccc2nc2ccccc12,CI,0 | |
| O=S(CCCl)c1c2ccccc2nc2ccccc12,CI,0 | |
| COc1ccc2nc3ccc(OC)cc3c(SCCCl)c2c1,CI,0 | |
| COc1ccc2nc3ccc(OC)cc3c(S(=O)CCCl)c2c1,CI,0 | |
| CCN(CC)CCSc1c2cc(OC)ccc2nc2ccc(OC)cc12,CI,0 | |
| CCN(CC)CCS(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc12,CI,0 | |
| Clc1ccc2c(SCC3CO3)c3ccccc3nc2c1,CI,0 | |
| COc1ccc2nc3ccc(OC)cc3c(S(=O)Cc3ccccc3)c2c1,CI,0 | |
| O=[N+]([O-])c1ccc(CSc2c3ccccc3nc3ccccc23)cc1,CI,0 | |
| COc1ccc2nc3ccc(OC)cc3c(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)c2c1,CI,0 | |
| c1csc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)c1,CI,0 | |
| O=C(C=Cc1ccsc1)c1ccccc1,CI,0 | |
| O=C(C=Cc1cccs1)c1ccccc1Cl,CI,0 | |
| O=C(CC(C(=O)c1ccsc1)c1ccc2c(c1)OCO2)c1ccccc1,CI,0 | |
| Cc1ccccc1C1OC1C(=O)c1ccccc1N,CI,0 | |
| CC(C)c1cc(O)nc2cc(N)ccc12,CI,0 | |
| Oc1c2cc(Cl)cc1COCc1cc(Cl)cc(c1O)COCc1cc(Cl)cc(c1O)COC2,CI,0 | |
| COC(=O)CN1Cc2cc(C)cc(c2O)CN(CC(=O)OC)Cc2cc(C)cc(c2O)CN(CC(=O)OC)Cc2cc(C)cc(c2O)C1,CI,0 | |
| COC(=O)c1ccc(COC(=O)c2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(Cl)c(OCc4ccc(C(=O)OC)cc4)c(C(=O)OCc4ccc(C(=O)OC)cc4)c3)cc(Cl)c2OCc2ccc(C(=O)OC)cc2)cc1,CI,0 | |
| CCOC(=O)c1c(N2CCOCC2)nc(O)c(C(c2ccco2)c2c(O)nc(N3CCOCC3)c(C(=O)OCC)c2O)c1O,CI,0 | |
| Cc1ccnc(SC(F)(F)c2nc3ccccc3o2)n1,CA,1 | |
| Oc1cc2ccccc2cc1OC(F)(F)c1nc2ccccc2o1,CI,0 | |
| FC(F)(Oc1ccc2oc3ccccc3c2c1)c1nc2ccccc2o1,CI,0 | |
| CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)c(=S)n2c1nc1ccccc12,CI,0 | |
| CCOC(=O)C1=C2Nc3cccc4cccc(c34)N2C(=O)CC1,CI,0 | |
| COc1cc(C(=O)O)c(C(=O)c2ccc(C#N)cc2)cc1OC,CI,0 | |
| COc1cc(C(=O)O)c(C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC,CI,0 | |
| COc1cc(CC(=O)O)c(C(=O)c2cccc([N+](=O)[O-])c2)cc1OC,CI,0 | |
| COc1cc(CC(=O)O)c(C(=O)c2ccc(C#N)cc2)cc1OC,CI,0 | |
| CCCCCCC(=O)COP(=O)(OCC(=O)CCCCCC)OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1,CA,1 | |
| COc1ccc2nc3n(c2c1)C(c1c(F)cccc1Cl)SC3,CI,0 | |
| COc1ccc2c(c1)nc1n2C(c2c(F)cccc2Cl)SC1,CI,0 | |
| COc1ccc2nc3n(c2c1)C(c1c(Cl)cccc1Cl)SC3,CI,0 | |
| CCOC(=O)c1c2ccccc2n2c(=O)n(C)nnc12,CI,0 | |
| Cl.NCCCCCCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1,CI,0 | |
| CN(C)CCCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)csc1=Nc1ccccc1,CI,0 | |
| COc1ccc(-c2csc(=Nc3ccccc3)n2CCCN(C)C)cc1,CI,0 | |
| C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O.Cl,CI,0 | |
| Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(C=NO)O2)c(=O)[nH]c1=O,CI,0 | |
| CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(O)nc(NCc4ccccc4)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C,CI,0 | |
| C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2cccn2C)CCCN(S(=O)(=O)c2ccc(C)cc2)C1,CI,0 | |
| CC(CC=O)Nc1nn2c(=O)c3ccccc3nc2s1,CI,0 | |
| Nn1c(Sc2nc3ccccc3c(=O)n2N)nc2ccccc2c1=O,CI,0 | |
| COC(=O)c1cc(Cc2cc(C)c(OC)c(C(=O)OC)c2)cc(C)c1OC,CI,0 | |
| COC(=O)C(CNC(=O)C=Cc1ccc(OC)c(OC)c1)NC(=O)C=Cc1ccc(OC)c(OC)c1,CI,0 | |
| COC(=O)C(COC(C)=O)NC(=O)C=Cc1ccc(O)c(OC(C)=O)c1,CI,0 | |
| CC(=O)Oc1ccc(C=CC(=O)NCC(NC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=O,CI,0 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)CCC4(C)C3CCC12C,CA,1 | |
| C=C(c1cc(C(=O)OC)c(OC)c(Br)c1C)c1cc(C(=O)OC)c(OC)c(Br)c1C,CI,0 | |
| CCC1(CCCC=C(c2cc(Cl)c(OC)c(C(=O)OC)c2)c2cc(Cl)c(OC)c(C(=O)OC)c2)OCCO1,CI,0 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)CCC4(C)C3CCC12C,CM,1 | |
| S=C(NCc1ccccc1-c1ccccc1)Nc1ccc(Br)cn1,CI,0 | |
| O=C(NC1CCCCC1)N1CCNC1=S,CI,0 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c(C(=O)OCc6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c5)c5cc(Cl)c(OCc6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c(C(=O)OCc6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c5)CCC4(C)C3CCC12C,CI,0 | |
| Cc1cc(S(=O)(=O)NC2=NNC(C)CN2)c(S)cc1Cl,CI,0 | |
| CC1CNC(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)c(Cl)cc2S)=NN1,CI,0 | |
| Cc1cc(S(=O)(=O)Nc2nc3ccsc3c(=O)n2N)c(S)cc1Cl,CM,1 | |
| Cc1cc(S(=O)(=O)Nc2nc3cc(-c4ccc(Cl)cc4)sc3c(=O)n2N)c(S)cc1Cl,CI,0 | |
| CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OCC(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC)O2)c(=O)n1,CA,1 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCC(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCC(=O)O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH],CI,0 | |
| CCc1c(C#N)c(S)nc2c1CCC2,CM,1 | |
| C=C(COC(=O)CC(C)(C)CC(=O)O)C1CCC2(COC(=O)CC(C)(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(C)CC(=O)O)C(C)(C)C5CCC43C)C12,CI,0 | |
| CONC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C,CI,0 | |
| CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)CC12CCN(O)CO2,CI,0 | |
| Cc1cn(C2CC3C(COC(CCCC[Se]c4ccccc4)N3O)O2)c(=O)[nH]c1=O,CM,1 | |
| CN1CC(=Cc2cccs2)C2=NC(=S)NC(c3cccs3)C2C1,CI,0 | |
| COc1c(Cl)cc(C(=CCCCCNC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N,CI,0 | |