C=CCn1/c(=N\C#N)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2cc(N)nc(O)c21 ZINC000100041706 FA Annotated Mild C=CCn1/c(=N\C#N)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(N)nc(O)c21 ZINC000100041708 FA Annotated Mild O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000100770451 FA Annotated Anodyne in-man endogenous O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000100770452 FA Annotated Anodyne in-man endogenous O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000100770453 FA Annotated Anodyne in-man endogenous COC(=O)[C@@]1(O)[C@H]2C[C@@]3([C@@H](C)C[C@@H](O)[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000100775365 FA Annotated Anodyne in-man endogenous COC(=O)[C@]1(O)[C@H]2C[C@@]3([C@@H](C)C[C@@H](O)[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000100775367 FA Annotated Anodyne in-man endogenous C[C@@](O)(CO)[C@@H]1CC[C@@](C)(O)[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000100783570 FA Annotated Anodyne in-man endogenous C[C@](O)(CO)[C@@H]1CC[C@@](C)(O)[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000100783571 FA Annotated Anodyne in-man endogenous C[C@@](O)(CO)[C@H]1CC[C@@](C)(O)[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000100783573 FA Annotated Anodyne in-man endogenous C[C@](O)(CO)[C@H]1CC[C@@](C)(O)[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000100783575 FA Annotated Anodyne in-man endogenous COC(=O)[C@@]1(O)[C@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000100783844 FA Annotated Anodyne in-man endogenous COC(=O)[C@]1(O)[C@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000100783845 FA Annotated Anodyne in-man endogenous COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@H]2COC(N)=O ZINC000100802806 FA Annotated Mild C=CCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000100803249 FA Annotated Mild COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000100803274 FA Annotated Mild COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000100803275 FA Annotated Mild N#C[C@]1(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1 ZINC000100826901 FA Annotated Mild in-man N#C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1 ZINC000100826902 FA Annotated Mild in-man N#C[C@]1(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1 ZINC000100826903 FA Annotated Mild in-man N#C[C@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1 ZINC000100826905 FA Annotated Mild in-man COC(=O)[C@@]1(O)[C@@H]2C[C@]3([C@H](C)CC[C@@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000101112377 FA Annotated Anodyne in-man COC(=O)[C@@]1(O)[C@@H]2C[C@]3([C@@H](C)CC[C@@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000101112378 FA Annotated Anodyne in-man COC(=O)[C@@]1(O)[C@@H]2C[C@]3([C@H](C)CC[C@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000101112380 FA Annotated Anodyne in-man COC(=O)[C@@]1(O)[C@@H]2C[C@]3([C@@H](C)CC[C@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000101112381 FA Annotated Anodyne in-man NC[C@H]1NC(=O)C(C(=O)CC(NC(=O)[C@@H](N)CO)(C(=O)O)C(=O)O)=C1O ZINC000101130814 FA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(CO)C(=N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000101229661 FA Annotated Mild O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1[C@H](O)CC(=O)[C@@]3(C[C@@H](O)N2)[C@H]1O ZINC000101329973 FA Annotated Mild in-vivo C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000101384430 FA Annotated Mild C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000101384436 FA Annotated Mild CNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@H](N3C)[C@]12OC ZINC000102971682 FA Annotated Mild O=C1C=C(NCCN2CCOCC2)C(=O)C=C1NCCN1CCOCC1 ZINC000102996807 FA Annotated Mild N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[C@]2(O1)[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O ZINC000103265905 FA Annotated Anodyne NCCCC[C@H](N)C(=O)NC[C@@H]1CC[C@]2(O1)[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O ZINC000103265908 FA Annotated Anodyne NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](O)[C@@H](O)CO2)[C@H](O)[C@H]1O ZINC000103266670 FA Annotated Anodyne NCCCC[C@H](N)CN[C@@H]1C[C@H](N)[C@@]2(C[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O ZINC000103266677 FA Annotated Anodyne C[C@@H](O)[C@@H](C(=O)O)[C@@H]1NC(C(O)O)=C(SC2Cn3cnc[n+]3C2)[C@@H]1C ZINC000103534485 FA Annotated Anodyne COC(=O)[C@@]1(O)[C@@H]2C[C@]3([C@H](C)C[C@H](O)[C@@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000104356512 FA Annotated Anodyne in-man COC(=O)[C@@]1(O)[C@@H]2C[C@]3([C@@H](C)C[C@H](O)[C@@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000104356519 FA Annotated Anodyne in-man COC(=O)[C@@]1(O)[C@@H]2C[C@]3([C@H](C)C[C@@H](O)[C@@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000104356524 FA Annotated Anodyne in-man COC(=O)[C@@]1(O)[C@@H]2C[C@]3([C@@H](C)C[C@@H](O)[C@@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000104356528 FA Annotated Anodyne in-man C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@@H]3CN21 ZINC000105396084 FA Annotated Mild O=[N+]([O-])c1nccn1C[C@@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O ZINC000105506340 FA Annotated Bother CC[C@H](C)[C@H](C(=O)N[C@@H](C)C(=O)NCC(N)=O)N(O)C(=O)CCl ZINC000111432369 FA Annotated Anodyne CN1C(=O)CC[C@@H]1c1ccc[n+]([C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000012494759 FA Annotated Anodyne in-man CN1C(=O)CC[C@@H]1c1ccc[n+]([C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000012494769 FA Annotated Anodyne in-man CN1C(=O)CC[C@H]1c1ccc[n+]([C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000012494774 FA Annotated Anodyne in-man CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012495628 FA Annotated Mild in-man endogenous CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012495633 FA Annotated Mild in-man endogenous CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012495639 FA Annotated Mild in-man endogenous CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](O)CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012495644 FA Annotated Mild in-man endogenous CC(=O)N[C@@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000012496612 FA Annotated Mild in-man endogenous CC(=O)N[C@@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000012496616 FA Annotated Mild in-man endogenous CC(=O)N[C@@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000012496620 FA Annotated Mild in-man endogenous CC(=O)N[C@@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000012496623 FA Annotated Mild in-man endogenous O=c1nc[nH]c2c([C@@H]3O[C@H](CO)[C@H]4O[C@@H](CP(=O)(O)O)O[C@@H]34)c[nH]c12 ZINC000012504494 FA Annotated Anodyne in-vivo CO[C@@H]1O[C@@H](COC(=O)CNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013135869 FA Annotated Anodyne CO[C@@H]1O[C@H](COC(=O)CNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013135870 FA Annotated Anodyne COC(=O)C[C@@H]1[C@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@@H]12 ZINC000013138773 FA Annotated Anodyne COC(=O)C[C@H]1[C@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@@H]12 ZINC000013138774 FA Annotated Anodyne CN(C)c1nc2ncc([C@H](O)[C@@H](O)COP(=O)(O)O)nc2c(=O)[nH]1 ZINC000013358151 FA Annotated Anodyne CC[C@@H](C)O[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013380285 FA Annotated Anodyne in-man CC[C@H](C)O[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013380286 FA Annotated Anodyne in-man CC[C@@H](C)O[C@@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013380287 FA Annotated Anodyne in-man CC[C@H](C)O[C@@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013380288 FA Annotated Anodyne in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013380340 FA Annotated Mild in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013380341 FA Annotated Mild in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013380342 FA Annotated Mild in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013380343 FA Annotated Mild in-man O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O ZINC000013382434 FA Annotated Mild in-man endogenous O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O ZINC000013382436 FA Annotated Mild in-man endogenous CC1=C2COC[C@@]23C(=O)[C@@](O)(C1=O)[C@]12COCC1=C(C)C(=O)[C@@]3(O)C2=O ZINC000013439560 FA Annotated Mild CC1(C)O[C@@H]2O[C@@H](C(=O)NS(N)(=O)=O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000013488110 FA Annotated Anodyne CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)NNS(N)(=O)=O)O[C@@H]1OC(C)(C)O[C@H]21 ZINC000013488111 FA Annotated Reactive C=C1CS[C@@H]2[C@H](NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2[C@@H]1C(=O)O ZINC000013511000 FA Annotated Mild in-vitro C=C1CS[C@@H]2[C@H](NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O ZINC000013511003 FA Annotated Mild in-vitro CC(=O)N[C@H](C(=O)N1CCOCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560260 FA Annotated Mild CC(=O)N[C@@H](C(=O)N1CCOCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560261 FA Annotated Mild CC(=O)N[C@H](C(=O)N1CCSCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560262 FA Annotated Mild CC(=O)N[C@@H](C(=O)N1CCSCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560263 FA Annotated Mild NCCc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)C2)cc1 ZINC000013778014 FA Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@]1(C)[C@@]21CO1 ZINC000013827637 FA Annotated Mild CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@]1(C)[C@@]21CO1 ZINC000013827640 FA Annotated Mild Cn1cnc2c(N(CCO)CCNCCO)nc(NCC(N)=O)nc21 ZINC000013863605 FA Annotated Anodyne CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)O ZINC000135645530 FA Annotated Anodyne in-vitro CC1=C2N=c3c(=O)nc(N)[nH]c3=NC[C@H]2[C@H]2CNc3[nH]c(=O)[nH]c(=O)c3N12 ZINC000135711532 FA Annotated Anodyne CC1=C2N=c3c(=O)nc(N)[nH]c3=NC[C@@H]2[C@@H]2CNc3[nH]c(=O)[nH]c(=O)c3N12 ZINC000135711650 FA Annotated Anodyne NC(N)=NN/C(=C1/N=c2ccc([N+](=O)[O-])cc2=NC1=O)[C@@H](O)c1ccco1 ZINC000135726384 FA Annotated Mild NC(N)=NN/C(=C1/N=c2ccc([N+](=O)[O-])cc2=NC1=O)[C@H](O)c1ccco1 ZINC000135726427 FA Annotated Mild C/C(=N/NC(=S)N(C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccccn1 ZINC000135936059 FA Annotated Mild C=C(CC[C@@H](O)C(C)(C)O)[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000137636185 FA Annotated Mild C[C@]1(O)[C@@H](O)[C@H](O)[C@H](O)[C@@]2(CO)[C@H](O)[C@H](O)[C@@H]3[C@@H](O)[C@]12O[C@@]3(C)CO ZINC000137657909 FA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(Cl)=C(N)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000139237635 FA Annotated Mild C=C(CC[C@@H](O)C(C)(C)O)[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000139537002 FA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(CO)=C(N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000139864434 FA Annotated Mild CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CC[C@@]2(COS(N)(=O)=O)O1 ZINC000014293524 FA Annotated Mild O=C(O)C1=C[C@@H](O)[C@H](O)[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O)O[C@H]2C(=O)O)O1 ZINC000014438737 FA Annotated Anodyne in-man O=C(O)C1=C[C@@H](O)[C@H](O)[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](O)O[C@H]2C(=O)O)O1 ZINC000014438739 FA Annotated Anodyne in-man O=C(O)C1=C[C@@H](O)[C@H](O)[C@H](O[C@@H]2[C@@H](C(=O)O)O[C@@H](O)[C@@H](O)[C@@H]2O)O1 ZINC000014438741 FA Annotated Anodyne in-man O=C(O)C1=C[C@@H](O)[C@H](O)[C@H](O[C@@H]2[C@@H](C(=O)O)O[C@H](O)[C@@H](O)[C@@H]2O)O1 ZINC000014438743 FA Annotated Anodyne in-man CO[C@@H]1OC[C@]2(O)[C@H]3C[C@@]4(C(=O)O3)[C@H](C)[C@H](O)[C@@H](O)[C@]4(O)[C@]2(C)[C@H]1O ZINC000144050435 FA Annotated Anodyne NC[C@@H]1NC(=O)C(C(=O)CC(NC(=O)[C@@H](N)CO)(C(=O)O)C(=O)O)=C1O ZINC000014585815 FA Annotated Mild C[C@@](O)(CO)[C@@H]1CC[C@@](C)(O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000014588503 FA Annotated Anodyne in-man C[C@@]1(O)CC[C@@H]([C@@](C)(O)CO)C[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014588504 FA Annotated Anodyne in-man C[C@@](O)(CO)[C@H]1CC[C@@](C)(O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000014588505 FA Annotated Anodyne in-man C[C@](O)(CO)[C@H]1CC[C@@](C)(O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000014588506 FA Annotated Anodyne in-man CC(C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1 ZINC000014588523 FA Annotated Anodyne in-man endogenous CC(C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1 ZINC000014588524 FA Annotated Anodyne in-man endogenous CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1 ZINC000014588525 FA Annotated Anodyne in-man endogenous CC(C)(O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1 ZINC000014588526 FA Annotated Anodyne in-man endogenous C=C(CC[C@H](O)C(C)(C)O)[C@@H](CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014592272 FA Annotated Mild in-man endogenous C=C(CC[C@@H](O)C(C)(C)O)[C@@H](CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014592273 FA Annotated Mild in-man endogenous C=C(CC[C@H](O)C(C)(C)O)[C@H](CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014592274 FA Annotated Mild in-man endogenous C=C(CC[C@@H](O)C(C)(C)O)[C@H](CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014592275 FA Annotated Mild in-man endogenous O=C(O)c1cn([C@H]2O[C@H]3C(=O)C[C@H](C(=O)O)O[C@H]3[C@@H]2O)c(=O)[nH]c1=O ZINC000014616933 FA Annotated Anodyne C[C@H](OS(=O)(=O)O)[C@H]1C(=O)N2C(C(=O)O)=C(S(=O)(=O)O)C[C@@H]12 ZINC000014660452 FA Annotated Anodyne in-vitro C[C@H](OS(=O)(=O)O)[C@@H]1C(=O)N2C(C(=O)O)=C(S(=O)(=O)O)C[C@@H]12 ZINC000014660458 FA Annotated Anodyne in-vitro CC(C)O[C@@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014679848 FA Annotated Anodyne in-man CC(C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014679850 FA Annotated Anodyne in-man CC(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014679852 FA Annotated Anodyne in-man CC(C)O[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014679854 FA Annotated Anodyne in-man COC1=C(C2=C(OC)[C@](O)(CC(C)=O)C(=O)N(C)C2=O)C(=O)N(C)C1=O ZINC000014712739 FA Annotated Anodyne O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000014724443 FA Annotated Anodyne in-man COC(=O)[C@@]1(O)[C@@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000014828124 FA Annotated Anodyne in-man endogenous COC(=O)[C@]1(O)[C@@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000014828125 FA Annotated Anodyne in-man endogenous COC(=O)[C@@]1(O)[C@@H]2C[C@@]3([C@@H](C)C[C@@H](O)[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000014828127 FA Annotated Anodyne in-man endogenous COC(=O)[C@]1(O)[C@@H]2C[C@@]3([C@@H](C)C[C@@H](O)[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000014828129 FA Annotated Anodyne in-man endogenous CC(C)[C@H](N)C(=O)N[C@H](C(=O)NO[C@H](C(=O)O)[C@@H](O)C(=O)O)C(C)C ZINC000014852864 FA Annotated Anodyne CC[C@@H](C)O[C@@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014916929 FA Annotated Anodyne in-man CC[C@H](C)O[C@@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014916931 FA Annotated Anodyne in-man CC[C@@H](C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014916933 FA Annotated Anodyne in-man CC[C@H](C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014916934 FA Annotated Anodyne in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014916970 FA Annotated Mild in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014916972 FA Annotated Mild in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014916974 FA Annotated Mild in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014916976 FA Annotated Mild in-man O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@H]1O ZINC000014919045 FA Annotated Mild in-man endogenous O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@H]1O ZINC000014919047 FA Annotated Mild in-man endogenous OC[C@H]1O[C@@H](O[C@@H]2O[C@@H]3C[C@H]4[C@@H]5O[C@@H]5[C@@](O)(CO3)[C@@H]24)[C@H](O)[C@@H](O)[C@@H]1O ZINC000147061295 FA Annotated Anodyne CCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000149107879 FA Annotated Mild in-vitro C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000001574905 FA Annotated Mild O=C(O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000015249352 FA Annotated Clean in-man O=C(O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000015249355 FA Annotated Clean in-man O=C(O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000015249358 FA Annotated Clean in-man O=C(O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000015249361 FA Annotated Clean in-man COC(=O)[C@@H](O)[C@@H]1OC(=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O ZINC000015249510 FA Annotated Clean in-man COC(=O)[C@H](O)[C@@H]1OC(=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O ZINC000015249514 FA Annotated Clean in-man COC(=O)[C@@H](O)[C@H]1OC(=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O ZINC000015249519 FA Annotated Clean in-man COC(=O)[C@H](O)[C@H]1OC(=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O ZINC000015249522 FA Annotated Clean in-man COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1OC(=O)[C@@H](O)[C@@H]1O ZINC000015249553 FA Annotated Clean in-man COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1OC(=O)[C@@H](O)[C@@H]1O ZINC000015249557 FA Annotated Clean in-man COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)[C@@H](O)[C@@H]1O ZINC000015249560 FA Annotated Clean in-man COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)[C@@H](O)[C@@H]1O ZINC000015249563 FA Annotated Clean in-man biogenic N[C@@H](CCCC(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)[C@@H](CO)S[C@H]12)C(=O)O ZINC000015877739 FA Annotated Anodyne O=C(CCC1CCCCC1)N(CCO)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000016052245 FA Annotated Anodyne in-vitro CSc1nc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c(=O)[nH]1 ZINC000016952445 FA Annotated Anodyne CO[C@@H]1[C@H](O)[C@@H](C(C)(C)O)[C@@H]2C(=O)O[C@@H]3[C@@H](O)[C@](O)(CO)[C@@]1(C)[C@]23O ZINC000166171019 FA Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@]1(C)[C@@]21CO1 ZINC000169296636 FA Annotated Mild Nc1ccn([C@@H]2O[C@H](CNCCN3CCCC3=O)[C@@H](O)C2(F)F)c(=O)n1 ZINC000169306733 FA Annotated Anodyne O=[N+]([O-])c1nccn1C[C@@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169314935 FA Annotated Bother O=[N+]([O-])c1nccn1C[C@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169314937 FA Annotated Bother CNC(=O)NC[C@H]1O[C@@H](SCCCCCCN)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169315789 FA Annotated Anodyne O=[N+]([O-])c1ccc(O/N=C2\O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000169316325 FA Annotated Mild O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000169316327 FA Annotated Mild NC(=O)[C@H]1O[C@@H](n2cc(I)c(O)nc2=O)C[C@@H]1O ZINC000169317478 FA Annotated Anodyne C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H](O)[C@H]1O[C@H](C(=O)O)C[C@@H](O)[C@H]1O ZINC000169320622 FA Annotated Anodyne C/C(=N/NC(=S)N(C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1ccccn1 ZINC000169324992 FA Annotated Mild O=C(O)CN1C(=O)[C@H]2C3C=CC([C@@H]2C1=O)[C@H]1C(=O)N(CC(=O)O)C(=O)[C@@H]31 ZINC000169331331 FA Annotated Anodyne O=C(O)CN1C(=O)[C@H]2C3C=CC([C@@H]4C(=O)N(CC(=O)O)C(=O)[C@H]34)[C@H]2C1=O ZINC000169331333 FA Annotated Anodyne O=C(O)CN1C(=O)[C@H]2C3C=CC([C@H]2C1=O)[C@H]1C(=O)N(CC(=O)O)C(=O)[C@@H]31 ZINC000169331335 FA Annotated Anodyne CN(C(=O)C[C@@H](N)C[C@H]1CNCCO1)[C@@H]1CN=C(NC(N)=O)NC1=O ZINC000169350243 FA Annotated Anodyne CN(C(=O)C[C@H](N)C[C@H]1CNCCO1)[C@@H]1CN=C(NC(N)=O)NC1=O ZINC000169350245 FA Annotated Anodyne C=C(C)C#C[C@@]1(O)[C@@H](O)[C@H](O)[C@]2(OC(C)=O)C[C@@H](O)C(C)(C)O[C@H]2[C@@H]1O ZINC000169351063 FA Annotated Mild CC(=O)N[C@H]1C[C@@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O ZINC000169367144 FA Annotated Anodyne CC(=O)N[C@H]1C[C@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O ZINC000169367145 FA Annotated Anodyne O=C(O)C1=C[C@@H](O)[C@@H](O)[C@@H](O[C@H]2[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@@H]2O)O1 ZINC000169608956 FA Annotated Anodyne in-man O=C(O)C1=C[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@@H]2O)O1 ZINC000169608957 FA Annotated Anodyne in-man O=C(O)C1=C[C@@H](O)[C@H](O)[C@@H](O[C@H]2[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@@H]2O)O1 ZINC000169608958 FA Annotated Anodyne in-man O=C(O)C1=C[C@H](O)[C@H](O)[C@@H](O[C@H]2[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@@H]2O)O1 ZINC000169608959 FA Annotated Anodyne in-man CCCN1CN(CCC)[C@@H](N)[C@@H]2C1=NCN2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O ZINC000169692215 FA Annotated Anodyne CCCN1CN(CCC)[C@H](N)[C@@H]2C1=NCN2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O ZINC000169692216 FA Annotated Anodyne O=C1C2=N[C@H](O)C[C@]34C(=O)C[C@@H](O)[C@H]([C@@H]3O)[N+]3=C(c5c(c[nH]c51)CC3)[C@@H]24 ZINC000169723175 FA Annotated Anodyne O=C1C2=N[C@H](O)C[C@]34C(=O)C[C@@H](O)[C@@H]([C@@H]3O)[N+]3=C(c5c(c[nH]c51)CC3)[C@@H]24 ZINC000169723176 FA Annotated Anodyne O=C1C2=N[C@H](O)C[C@]34C(=O)C[C@@H](O)[C@H]([C@@H]3O)[N+]3=C(c5c(c[nH]c51)CC3)[C@H]24 ZINC000169723177 FA Annotated Anodyne O=C1C2=N[C@H](O)C[C@]34C(=O)C[C@@H](O)[C@@H]([C@@H]3O)[N+]3=C(c5c(c[nH]c51)CC3)[C@H]24 ZINC000169723178 FA Annotated Anodyne CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000017212050 FA Annotated Reactive CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000017212053 FA Annotated Reactive CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000017212055 FA Annotated Reactive CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000017212058 FA Annotated Reactive CC1=C2N3C[C@@H](n4c(=O)n(C)c(=O)n43)[C@@]23CC[C@@H]1n1c(=O)n(C)c(=O)n13 ZINC000017217330 FA Annotated Anodyne O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O ZINC000017217468 FA Annotated Bother O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O ZINC000017217470 FA Annotated Bother O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@@H]1O ZINC000017217473 FA Annotated Bother O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O ZINC000017217476 FA Annotated Bother N[C@@H]1CC[C@H](N(CC(=O)O)CC(=O)O)[C@@H](N(CC(=O)O)CC(=O)O)C1 ZINC000019365542 FA Annotated Anodyne N[C@@H]1CC[C@@H](N(CC(=O)O)CC(=O)O)[C@H](N(CC(=O)O)CC(=O)O)C1 ZINC000019366899 FA Annotated Anodyne N[C@@H]1CC[C@H](N(CC(=O)O)CC(=O)O)[C@H](N(CC(=O)O)CC(=O)O)C1 ZINC000019369546 FA Annotated Anodyne N[C@@H]1CC[C@@H](N(CC(=O)O)CC(=O)O)[C@@H](N(CC(=O)O)CC(=O)O)C1 ZINC000019369556 FA Annotated Anodyne CCS(=O)(=O)N1CCN(C(=O)Cn2ncc(N(C)C)cc2=O)CC1 ZINC000019840562 FA Annotated Anodyne COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3N[C@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000195052319 FA Annotated Mild COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000195052340 FA Annotated Mild C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@H]3CN21 ZINC000195146188 FA Annotated Mild C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21 ZINC000195146200 FA Annotated Mild COc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195473374 FA Annotated Mild COc1ccc(/C=C2/N/C(=N\N=C/[C@@H](O)[C@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195473377 FA Annotated Mild COc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195473381 FA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C/c1ccccc1 ZINC000195476586 FA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C/c1ccccc1 ZINC000195476588 FA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C/c1ccccc1 ZINC000195476591 FA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C\c1ccco1 ZINC000195502707 FA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C\c1ccco1 ZINC000195502710 FA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C\c1ccco1 ZINC000195502711 FA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C/c1ccc(Cl)cc1 ZINC000195502744 FA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C/c1ccc(Cl)cc1 ZINC000195502748 FA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C\c1c[nH]c2ccccc12 ZINC000195509126 FA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C\c1c[nH]c2ccccc12 ZINC000195509128 FA Annotated Mild CNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@@H](N3C)[C@@]12OC ZINC000195510193 FA Annotated Mild CNC(=O)OC[C@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@@H](N3C)[C@@]12OC ZINC000195510194 FA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C\c1cccs1 ZINC000195515372 FA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C\c1cccs1 ZINC000195515373 FA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C\c1cccs1 ZINC000195515375 FA Annotated Mild CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@](C)(O)[C@H](O)C1 ZINC000197445583 FA Annotated Anodyne COC(=O)C[C@H](c1ccc(O)cc1)[C@]1(O)C(=O)O[C@H]([C@H](O)CO)[C@H]1O ZINC000197879847 FA Annotated Anodyne O=C(OC[C@H](O)CO[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc[nH]1 ZINC000198429704 FA Annotated Anodyne C=C/C=C\[C@H](O)[C@@H](C#CC#C/C=C/C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000198516604 FA Annotated Mild O=C(O)c1ccccc1NC[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O ZINC000002047809 FA Annotated Anodyne in-vitro metabolite O=C(O)c1ccccc1NC[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O ZINC000002047810 FA Annotated Anodyne in-vitro metabolite O=C(O)CCC(=O)N1CN2CN(C(=O)CCC(=O)O)CC([N+](=O)[O-])(C2)C1 ZINC000002285772 FA Annotated Bother N[C@@H](CSCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)C(=O)NCC(=O)O ZINC000205278014 FA Annotated Bother COCCN1C(=O)NC(=O)[C@H](C(=O)CN2CCC[C@H]2C(=O)N(C)C)[C@@H]1N ZINC000205842391 FA Annotated Anodyne COCCN1C(=O)NC(=O)[C@H](C(=O)CN2CCC[C@@H]2C(=O)N(C)C)[C@@H]1N ZINC000205842408 FA Annotated Anodyne Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCN(C=O)CC3)ccc21 ZINC000206490369 FA Annotated Anodyne CCCN1C(=O)NC(=O)[C@H](C(=O)CN2CCC[C@@H]2C(=O)N(C)C)[C@H]1N ZINC000208284509 FA Annotated Anodyne CCCN1C(=O)NC(=O)[C@H](C(=O)CN2CCC[C@@H]2C(=O)N(C)C)[C@@H]1N ZINC000208284551 FA Annotated Anodyne COCCN1C(=O)C(=O)N(CC(=O)[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N)C1=O ZINC000208769094 FA Annotated Anodyne COCCN1C(=O)C(=O)N(CC(=O)[C@@H]2C(=O)NC(=O)N(C)[C@H]2N)C1=O ZINC000208769136 FA Annotated Anodyne COCCN1C(=O)C(=O)N(CC(=O)[C@H]2C(=O)NC(=O)N(C)[C@@H]2N)C1=O ZINC000208769168 FA Annotated Anodyne COCCN1C(=O)C(=O)N(CC(=O)[C@H]2C(=O)NC(=O)N(C)[C@H]2N)C1=O ZINC000208769204 FA Annotated Anodyne O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000218529655 FA Annotated Anodyne O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000218529748 FA Annotated Anodyne O=C(O)CN1CCN2CCOCCN(CC1)CCN(CC(=O)O)CC2 ZINC000022026460 FA Annotated Anodyne CN1C(=O)CC[C@@H]1c1ccc[n+]([C@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000022055135 FA Annotated Anodyne in-man endogenous CN1C(=O)CC[C@H]1c1ccc[n+]([C@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000022055143 FA Annotated Anodyne in-man endogenous O=C(O[C@@H]1CNC[C@@H]1F)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000220091138 FA Annotated Mild O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@]23CCO3)c(=O)[nH]1 ZINC000221184322 FA Annotated Anodyne Nc1nc(N2CCOCC2)c2ncn(CC(=O)NCCC(=O)NO)c2n1 ZINC000221275064 FA Annotated Bother CC[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000221489063 FA Annotated Anodyne C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](C)[C@H]2NC=O)[C@@H](O)[C@@H](O)[C@@H]1NC=O ZINC000221556372 FA Annotated Anodyne in-vitro CC(=O)N[C@H]1[C@H](OCCCN)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O ZINC000221556428 FA Annotated Anodyne in-vitro COC(=O)CN(CC(=O)OC)[C@@H]1C[C@H]1N(CC(=O)OC)CC(=O)OC ZINC000022595738 FA Annotated Anodyne N[C@H]1CC[C@@H](N(CC(=O)O)CC(=O)O)[C@@H](N(CC(=O)O)CC(=O)O)C1 ZINC000023478266 FA Annotated Anodyne N[C@H]1CC[C@H](N(CC(=O)O)CC(=O)O)[C@@H](N(CC(=O)O)CC(=O)O)C1 ZINC000023478268 FA Annotated Anodyne CC(=O)N[C@@H](C=O)[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230052992 FA Annotated Mild in-man CC(=O)N[C@H](C=O)[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230052998 FA Annotated Mild in-man CC(=O)N[C@@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230053004 FA Annotated Mild in-man CC(=O)N[C@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230053009 FA Annotated Mild in-man O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000230060208 FA Annotated Anodyne in-man O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000230060215 FA Annotated Anodyne in-man O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000230060221 FA Annotated Anodyne in-man O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000230060227 FA Annotated Anodyne in-man O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O ZINC000230064819 FA Annotated Mild in-man O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O ZINC000230064826 FA Annotated Mild in-man O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O ZINC000230064833 FA Annotated Mild in-man O=C(O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000230088299 FA Annotated Clean in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230093106 FA Annotated Mild in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230093111 FA Annotated Mild in-man N#C[C@@]1(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C=C[C@@H](OS(=O)(=O)O)C1 ZINC000230093407 FA Annotated Mild in-man N#C[C@]1(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C=C[C@@H](OS(=O)(=O)O)C1 ZINC000230093412 FA Annotated Mild in-man N#C[C@@]1(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C=C[C@@H](OS(=O)(=O)O)C1 ZINC000230093417 FA Annotated Mild in-man N#C[C@]1(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C=C[C@@H](OS(=O)(=O)O)C1 ZINC000230093421 FA Annotated Mild in-man N=C1N[C@@H]2[C@@H](CO)NC(=N)N3C[C@@H](OS(=O)(=O)O)C(O)(O)[C@@]23N1 ZINC000230099728 FA Annotated Anodyne in-man CCOC(=O)[C@]1(F)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](NC(C)=O)[C@@H](N)[C@H]1F ZINC000230525459 FA Annotated Anodyne CN(C)c1nc(=O)c2ncn([C@@H]3O[C@@H]4CO[P@](=O)(O)O[C@H]4[C@H]3O)c2[nH]1 ZINC000230541405 FA Annotated Anodyne in-vitro N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O ZINC000230568210 FA Annotated Anodyne in-vitro N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O ZINC000230568247 FA Annotated Anodyne in-vitro O=C[C@H](O)[C@@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO ZINC000238731562 FA Annotated Mild CC1=C2N=C3C(=O)N=C(N)N=C3NC[C@@H]2[C@@]2(C)CNc3nn[nH]c(=O)c3N12 ZINC000238733220 FA Annotated Anodyne CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@](C)(O)[C@H](O)C1 ZINC000238733376 FA Annotated Anodyne O=C[C@@]1(/C=C\O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@H](CO)C[C@H]1O ZINC000238735221 FA Annotated Mild CO[C@H]1[C@@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@H]2N)[C@@H](O)[C@H]1N(C)C ZINC000238737761 FA Annotated Anodyne CC(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238739848 FA Annotated Anodyne NC[C@H](O)[C@H](O)[C@@H](NC(=O)[C@@H](N)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)C(=O)O ZINC000238739969 FA Annotated Anodyne C[C@H]1NC(=O)CN([C@H]2C[C@H](O)[C@H](N3CC(=O)N[C@H](C)C3=O)C[C@H]2O)C1=O ZINC000238741947 FA Annotated Anodyne C/C=C\C#CC#CC#C/C=C/[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238742220 FA Annotated Mild N#C[C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C[C@@H](OS(=O)(=O)O)C1 ZINC000238743043 FA Annotated Mild C[C@@H]1O[C@H](O[C@@H]2[C@@H](OC(C)(C)C)OC[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238743329 FA Annotated Anodyne NC[C@H](O)[C@H](O)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000238744972 FA Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000238745071 FA Annotated Anodyne COC(=O)[C@@]1(O)[C@@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@H](O)C(=O)O2 ZINC000238746316 FA Annotated Anodyne CN[C@@H]1[C@H](O)[C@@H](NC)[C@@H](O)[C@H](O[C@H]2O[C@@H](C)[C@H](C(=O)O)[C@@H]2O)[C@H]1O ZINC000238747765 FA Annotated Anodyne C=CC/C(=N/OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238748082 FA Annotated Mild O=C[C@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000238749438 FA Annotated Mild CO[C@@H]1OC[C@H](NC(C)=O)[C@H](OS(C)(=O)=O)[C@@H]1OS(C)(=O)=O ZINC000238749783 FA Annotated Mild COC[C@H](O)[C@@H]1O[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]2O)[C@@H]1O ZINC000238749832 FA Annotated Anodyne CO[C@@H]1[C@@H](CO)O[C@@H](O[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O ZINC000238753157 FA Annotated Anodyne COC1=CC(=O)N(C)[C@@H]2O[C@H]3[C@@H](O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@]12C(C)=O ZINC000238753401 FA Annotated Anodyne COc1cc(O)c2c(c1)C(=O)[C@@]1(O)[C@@H](O)[C@](C)(O)[C@H](O)[C@@H](O)[C@@]1(O)C2=O ZINC000238753661 FA Annotated Clean CC(C)CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238754389 FA Annotated Anodyne C=CC/N=C(/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238755260 FA Annotated Mild O=C[C@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000238755395 FA Annotated Mild C/C=C/C#CC#CC#C/C=C/[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238756090 FA Annotated Mild CO[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3CC=C(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238756180 FA Annotated Anodyne COC(=O)[C@@]1(O)[C@@H]2C[C@]3([C@H](O)C(=O)O2)[C@@H](C)[C@H](O)C[C@@]3(O)[C@@]12COC2=O ZINC000238756825 FA Annotated Anodyne COc1cc(O)cc2c1C(=O)[C@@]1(O)[C@H](O)[C@@H](O)[C@@](C)(O)C[C@]1(O)C2=O ZINC000238758151 FA Annotated Clean C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H](O)[C@@H]2[C@@H]1C=CCC[C@@]2(C)O ZINC000238758392 FA Annotated Anodyne CC#CC#CC#C/C=C/CC[C@H](CO)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000238759822 FA Annotated Mild COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1OC(=O)[C@H](O)[C@H]1O ZINC000238759901 FA Annotated Clean O=C(O)c1cn([C@@H]2O[C@H]3C(=O)C[C@@H](C(=O)O)O[C@H]3[C@H]2O)c(=O)[nH]c1=O ZINC000238760972 FA Annotated Anodyne O=C(O)C(=O)[C@H](OP(=O)(O)O)[C@H](O)[C@@H](OP(=O)(O)O)C(=O)O ZINC000238762840 FA Annotated Anodyne COC(=O)[C@@H]1O[C@@H](O[C@H]2[C@@H](OC)OC[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1OC ZINC000238765001 FA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)O[C@@H](CO[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O ZINC000238765826 FA Annotated Anodyne COC[C@H](O)[C@@H]1O[C@@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O ZINC000238766111 FA Annotated Anodyne COC1=CC(=O)N(C)[C@@H](O)[C@@]1(O[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O ZINC000238766219 FA Annotated Anodyne NCCO[P@@](=O)(O)O[C@@H](CO)[C@H]1O[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O ZINC000238766786 FA Annotated Anodyne C[C@]1(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C[C@H](O)C=C[C@@H]2[C@@H]1CC[C@@]2(C)O ZINC000238766982 FA Annotated Anodyne COC[C@@]1(O)[C@@H]2C[C@@]3([C@@H](C)C[C@H](O)[C@@]3(O)[C@@]13COC3=O)[C@H](O)C(=O)O2 ZINC000238767104 FA Annotated Anodyne O=S(=O)(O)/[N+]([O-])=C(/CCO)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238767280 FA Annotated Mild COC[C@H]1O[C@@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2OC)[C@H](OC)[C@H](O)[C@H]1O ZINC000238767688 FA Annotated Anodyne N[C@@H](C=O)[C@H](O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CO ZINC000238769356 FA Annotated Mild N#C/C(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)=C(\C=C/C(=O)O)CC(=O)O ZINC000238769753 FA Annotated Reactive O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)C(=O)O ZINC000238769973 FA Annotated Mild O=c1[nH]c2c(c(=O)[nH]1)N=C1N[C@H](O)N=C1N2C[C@@H](O)[C@@H](O)[C@@H](O)CO ZINC000238771837 FA Annotated Anodyne C[C@@H]1O[C@@H](O[C@@H]2[C@@H](C(=O)O)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@](C)(O)[C@H]1O ZINC000238774094 FA Annotated Anodyne C=CC/C(=N/OS(=O)(=O)O)SC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238774622 FA Annotated Mild COC[C@H](O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]1O ZINC000238775241 FA Annotated Anodyne COC1=C(N[C@H](C(=O)O)[C@H](C)O)C[C@](O)(COS(=O)(=O)O)CC1=N ZINC000238775782 FA Annotated Anodyne COC[C@H]1O[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]2O)[C@@H]1O ZINC000238775786 FA Annotated Anodyne N#C[C@@]1(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@@H](OS(=O)(=O)O)C1 ZINC000238776826 FA Annotated Mild COc1cc(/C=C\C(=O)OC[C@H](O)[C@H]2OC(=O)[C@@H](O)[C@@H]2O)ccc1O ZINC000238776925 FA Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@H](O)[C@H]2OC(=O)[C@@H](O)[C@@H]2O)ccc1O ZINC000238776936 FA Annotated Anodyne C=CC/N=C(\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238778485 FA Annotated Mild O=c1[nH]c(=O)c2nc([C@H](O)CO)c(=O)n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2[nH]1 ZINC000238778745 FA Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@]1(C)[C@]21CO1 ZINC000238779890 FA Annotated Mild N#C/C(O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O)=C(\C=C\C(=O)O)CC(=O)O ZINC000238780272 FA Annotated Reactive C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238780517 FA Annotated Mild N[C@@H](Cn1ccc(=O)c(O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)c1)C(=O)O ZINC000238780719 FA Annotated Anodyne O=C(O)C1=C[C@H](O)[C@H](O)[C@H](O[C@@H]2[C@H](C(=O)O)O[C@H](O)[C@@H](O)[C@H]2O)O1 ZINC000238780947 FA Annotated Anodyne Nc1nc2c(=O)[nH]c(=O)[nH]c2n(C[C@H](O)[C@H](O)[C@H](O)CO)/c1=N/C=O ZINC000238783399 FA Annotated Anodyne CC1=C2N=C3C(=O)N=C(N)N=C3NC[C@H]2[C@]2(C)CNc3nn[nH]c(=O)c3N12 ZINC000238783550 FA Annotated Anodyne CC[C@@](O)(C(=O)OC[C@H]1O[C@@H](OC(C)C)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)O ZINC000238783575 FA Annotated Anodyne O=C[C@H](O)[C@@H](O)[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO ZINC000238783793 FA Annotated Mild CC(=O)OC[C@H](CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O ZINC000238784276 FA Annotated Anodyne N#C/C(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)=C(\C=C\C(=O)O)CC(=O)O ZINC000238785479 FA Annotated Reactive O=C(O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(CC(=O)O)C(=O)[C@@H]12 ZINC000240104267 FA Annotated Anodyne O=C(O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)[C@H]1C(=O)N(CC(=O)O)C(=O)[C@H]31 ZINC000240104268 FA Annotated Anodyne O=C(O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C(=O)N(CC(=O)O)C(=O)[C@H]34)[C@H]2C1=O ZINC000240104269 FA Annotated Anodyne NC[C@H](O)Cn1c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(O)c21 ZINC000253635028 FA Annotated Anodyne O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1 ZINC000253635136 FA Annotated Mild O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1 ZINC000253635141 FA Annotated Mild O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000253635143 FA Annotated Mild O=[N+]([O-])c1nccn1C[C@@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@@H]1O ZINC000253635180 FA Annotated Bother O=[N+]([O-])c1nccn1C[C@@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O ZINC000253635185 FA Annotated Bother O=[N+]([O-])c1nccn1C[C@@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O ZINC000253635186 FA Annotated Bother CS[C@@H]1O[C@H]([C@H](NC(=O)C(Cl)Cl)[C@H](C)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253636141 FA Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)C(Cl)Cl)[C@H](C)O)[C@H](O)[C@H](O)[C@H]1O ZINC000253636143 FA Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)C(Cl)Cl)[C@H](C)O)[C@H](O)[C@@H](O)[C@H]1O ZINC000253636145 FA Annotated Reactive CSCC[C@H](N)C(=O)NC[C@H](O)[C@@H]1O[C@H](C(=O)O)C[C@H](O)[C@H]1O ZINC000253697852 FA Annotated Anodyne CSCC[C@H](N)C(=O)NC[C@H](O)[C@@H]1O[C@H](C(=O)O)C[C@H](O)[C@@H]1O ZINC000253697857 FA Annotated Anodyne CSCC[C@H](N)C(=O)NC[C@H](O)[C@@H]1O[C@H](C(=O)O)C[C@@H](O)[C@H]1O ZINC000253697863 FA Annotated Anodyne CSCC[C@H](N)C(=O)NC[C@H](O)[C@@H]1O[C@H](C(=O)O)C[C@@H](O)[C@@H]1O ZINC000253697868 FA Annotated Anodyne CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000253703310 FA Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253703313 FA Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000253703315 FA Annotated Reactive CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@]1(C)[C@]21CO1 ZINC000253983069 FA Annotated Mild CN(C(=O)C[C@H](N)C[C@H]1CNCCO1)[C@H]1CN=C(NC(N)=O)NC1=O ZINC000254025898 FA Annotated Anodyne N[C@H]1[C@@H](OC[C@H](O)[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000255221481 FA Annotated Anodyne OC[C@@H]1O[C@H](/N=C2/N[C@@H]3[C@H](O2)[C@@H](O)[C@@H](O)[C@]3(O)CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255248281 FA Annotated Mild OC[C@@H]1O[C@@H](/N=C2/N[C@H]3[C@@H](O2)[C@H](O)[C@@H](O)[C@@]3(O)CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000255248283 FA Annotated Mild C[C@]12O[C@H]1[C@H](O)[C@]1(O)C=CO[C@@H](O[C@@H]3[C@H](CO)O[C@@H](O)[C@@H](O)[C@H]3O)[C@@H]12 ZINC000255260793 FA Annotated Anodyne CC(C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257374609 FA Annotated Anodyne CC(C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257374610 FA Annotated Anodyne CC(C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257374611 FA Annotated Anodyne CC(C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257374612 FA Annotated Anodyne N=C1N[C@@H]2[C@H](CO)NC(=N)N3C[C@H](OS(=O)(=O)O)C(O)(O)[C@@]23N1 ZINC000257376831 FA Annotated Anodyne N=C1N[C@@H]2[C@H](CO)NC(=N)N3C[C@@H](OS(=O)(=O)O)C(O)(O)[C@@]23N1 ZINC000257376832 FA Annotated Anodyne CC[C@H](C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257402422 FA Annotated Anodyne CC[C@H](C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257402423 FA Annotated Anodyne CC[C@H](C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257402424 FA Annotated Anodyne CC[C@H](C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257402425 FA Annotated Anodyne COC(=O)[C@H](O)[C@@H]1OC(=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O ZINC000257409595 FA Annotated Clean COC(=O)[C@H](O)[C@@H]1OC(=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O ZINC000257409596 FA Annotated Clean C[C@@](O)(CO)[C@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000257435879 FA Annotated Anodyne C[C@@]1(O)CC[C@@H]([C@@](C)(O)CO)C[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257435880 FA Annotated Anodyne C[C@@](O)(CO)[C@@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000257435881 FA Annotated Anodyne C[C@](O)(CO)[C@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000257435882 FA Annotated Anodyne COC(=O)[C@]1(O)[C@H]2C[C@@]3([C@H](C)C[C@H](O)[C@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000257458459 FA Annotated Anodyne COC(=O)[C@]1(O)[C@H]2C[C@]3([C@H](O)C(=O)O2)[C@H](C)C[C@H](O)[C@]3(O)[C@@]12COC2=O ZINC000257458460 FA Annotated Anodyne COC(=O)[C@]1(O)[C@H]2C[C@]3([C@H](O)C(=O)O2)[C@H](C)C[C@H](O)[C@]3(O)[C@]12COC2=O ZINC000257458461 FA Annotated Anodyne COC(=O)[C@]1(O)[C@H]2C[C@@]3([C@H](C)C[C@H](O)[C@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000257458462 FA Annotated Anodyne O=C(O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000257464256 FA Annotated Clean O=C(O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000257464257 FA Annotated Clean O=C(O)C1=C[C@H](O)[C@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)O[C@H]2C(=O)O)O1 ZINC000257474425 FA Annotated Anodyne O=C(O)C1=C[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)O[C@H]2C(=O)O)O1 ZINC000257474426 FA Annotated Anodyne O=C(O)C1=C[C@@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)O[C@H]2C(=O)O)O1 ZINC000257474427 FA Annotated Anodyne O=C(O)C1=C[C@@H](O)[C@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)O[C@H]2C(=O)O)O1 ZINC000257474428 FA Annotated Anodyne N#C[C@@]1(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1 ZINC000257508196 FA Annotated Mild N#C[C@]1(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1 ZINC000257508197 FA Annotated Mild N#C[C@]1(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@@H](OS(=O)(=O)O)C1 ZINC000257508198 FA Annotated Mild N#C[C@@]1(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@@H](OS(=O)(=O)O)C1 ZINC000257508199 FA Annotated Mild C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000257513433 FA Annotated Mild in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000257513434 FA Annotated Mild in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000257513435 FA Annotated Mild in-man C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257513436 FA Annotated Mild in-man CC(C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@](C)(O)[C@H](O)C1 ZINC000257533928 FA Annotated Anodyne CC(C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@](C)(O)[C@@H](O)C1 ZINC000257533929 FA Annotated Anodyne CC(C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1 ZINC000257533930 FA Annotated Anodyne CC(C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@](C)(O)[C@H](O)C1 ZINC000257533931 FA Annotated Anodyne COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1OC(=O)[C@H](O)[C@H]1O ZINC000257534558 FA Annotated Clean COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1OC(=O)[C@H](O)[C@@H]1O ZINC000257534559 FA Annotated Clean CC(=O)O[C@@H]1[C@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@H](O)[C@]3(CO)[C@@]1(C)[C@]21CO1 ZINC000257620152 FA Annotated Mild CC(=O)O[C@@H]1[C@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@H](O)[C@@]3(CO)[C@@]1(C)[C@@]21CO1 ZINC000257620153 FA Annotated Mild CC(=O)O[C@@H]1[C@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@H](O)[C@]3(CO)[C@@]1(C)[C@@]21CO1 ZINC000257620154 FA Annotated Mild CC(=O)O[C@@H]1[C@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@H](O)[C@@]3(CO)[C@@]1(C)[C@]21CO1 ZINC000257620155 FA Annotated Mild C=C(CC[C@H](O)C(C)(C)O)[C@H](CO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257711354 FA Annotated Mild C=C(CC[C@H](O)C(C)(C)O)[C@@H](CO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257711355 FA Annotated Mild C=C(CC[C@@H](O)C(C)(C)O)[C@H](CO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257711356 FA Annotated Mild C=C(CC[C@@H](O)C(C)(C)O)[C@@H](CO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257711357 FA Annotated Mild O=[N+]([O-])c1ccc(O/N=C2\O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000026172194 FA Annotated Mild O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000026172199 FA Annotated Mild O=[N+]([O-])c1ccc(O/N=C2\O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1 ZINC000026172202 FA Annotated Mild O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1 ZINC000026172206 FA Annotated Mild CC(=O)N[C@@H]1C[C@@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O ZINC000026275006 FA Annotated Anodyne CC(=O)N[C@@H]1C[C@@H](S[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O ZINC000026275014 FA Annotated Anodyne CC(=O)N[C@@H]1C[C@@H](S[C@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O ZINC000026275020 FA Annotated Anodyne CC(=O)N[C@@H]1C[C@@H](S[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O ZINC000026275027 FA Annotated Anodyne O=C1CC[C@@H](NC(=O)[C@H](C(=O)O)N2C(=O)c3ccccc3C2=O)C(=O)N1 ZINC000026294915 FA Annotated Anodyne O=C1CC[C@@H](NC(=O)[C@@H](C(=O)O)N2C(=O)c3ccccc3C2=O)C(=O)N1 ZINC000026294920 FA Annotated Anodyne O=C1CC[C@H](NC(=O)[C@H](C(=O)O)N2C(=O)c3ccccc3C2=O)C(=O)N1 ZINC000026294926 FA Annotated Anodyne O=C1CC[C@H](NC(=O)[C@@H](C(=O)O)N2C(=O)c3ccccc3C2=O)C(=O)N1 ZINC000026294931 FA Annotated Anodyne CS(=O)(=O)N(CCBr)N(S(C)(=O)=O)S(C)(=O)=O ZINC000026296625 FA Annotated Reactive CS[C@@H]1O[C@@H]([C@@H](NC(=O)[C@@H]2CCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026376499 FA Annotated Reactive CS[C@H]1O[C@@H]([C@@H](NC(=O)[C@@H]2CCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026376501 FA Annotated Reactive CS[C@@H]1O[C@H]([C@@H](NC(=O)[C@@H]2CCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026376502 FA Annotated Reactive CS[C@H]1O[C@H]([C@@H](NC(=O)[C@@H]2CCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026376504 FA Annotated Reactive CSCC[C@@H](N)C(=O)NC[C@@H](O)[C@@H]1O[C@@H](C(=O)O)C[C@@H](O)[C@@H]1O ZINC000026392237 FA Annotated Anodyne CSCC[C@H](N)C(=O)NC[C@@H](O)[C@@H]1O[C@@H](C(=O)O)C[C@@H](O)[C@@H]1O ZINC000026392238 FA Annotated Anodyne CSCC[C@@H](N)C(=O)NC[C@H](O)[C@@H]1O[C@@H](C(=O)O)C[C@@H](O)[C@@H]1O ZINC000026392242 FA Annotated Anodyne CSCC[C@H](N)C(=O)NC[C@H](O)[C@@H]1O[C@@H](C(=O)O)C[C@@H](O)[C@@H]1O ZINC000026392246 FA Annotated Anodyne CCOC(Cn1c(N)nc2c(ncn2COC(CO)CO)c1=O)OCC ZINC000026472242 FA Annotated Anodyne C/C(N)=N/CCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026494677 FA Annotated Mild C/C(N)=N/CCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026494681 FA Annotated Mild COC(=O)NCCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026494762 FA Annotated Mild COC(=O)NCCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026494766 FA Annotated Mild CN(C(=O)C[C@@H](N)CCCNC(N)=S)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026495703 FA Annotated Mild CN(C(=O)C[C@@H](N)CCCNC(N)=S)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026495707 FA Annotated Mild CN(C(=O)C[C@@H](N)CCCCN=C(N)N)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026495735 FA Annotated Mild CN(C(=O)C[C@@H](N)CCCCN=C(N)N)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026495739 FA Annotated Mild C/N=C(/N)NCCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026496580 FA Annotated Mild C/N=C(/N)NCCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026496584 FA Annotated Mild CN(C(=O)C[C@@H](N)C[C@@H]1CNCCO1)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026496941 FA Annotated Mild CN(C(=O)C[C@@H](N)C[C@@H]1CNCCO1)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026496945 FA Annotated Mild CN(C(=O)C[C@H](N)C[C@@H]1CNCCO1)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026496949 FA Annotated Mild CN(C(=O)C[C@H](N)C[C@@H]1CNCCO1)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026496953 FA Annotated Mild CC(=O)N[C@@H]1C[C@H](S[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O ZINC000261077933 FA Annotated Anodyne CC(=O)N[C@@H]1C[C@H](S[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](CO)O[C@@H]1O ZINC000261077937 FA Annotated Anodyne CC(=O)N[C@@H]1C[C@H](S[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O ZINC000261077940 FA Annotated Anodyne CC(=O)N[C@@H]1C[C@H](S[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](CO)O[C@H]1O ZINC000261077945 FA Annotated Anodyne CC(=O)N[C@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O ZINC000261499251 FA Annotated Mild in-vitro endogenous CC(=O)N[C@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000261499252 FA Annotated Mild in-vitro endogenous CC(=O)N[C@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O ZINC000261499253 FA Annotated Mild in-vitro endogenous CC(=O)N[C@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O ZINC000261499254 FA Annotated Mild in-vitro endogenous C=CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000263605122 FA Annotated Mild C=CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000263605123 FA Annotated Mild C=CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000263605124 FA Annotated Mild C=CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000263605125 FA Annotated Mild CSc1nc(O)c2nc(N)n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c2n1 ZINC000263613773 FA Annotated Anodyne CSc1nc(O)c2nc(N)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c2n1 ZINC000263613774 FA Annotated Anodyne CSc1nc(O)c2nc(N)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2n1 ZINC000263613775 FA Annotated Anodyne CSc1nc(O)c2nc(N)n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2n1 ZINC000263613776 FA Annotated Anodyne Bc1c2ccc(n2)c(B)c2ccc([nH]2)c(B)c2ccc(n2)c(B)c2ccc1[nH]2 ZINC000263614712 FA Annotated Bother O=CN1C[C@H](NOS(=O)(=O)O)CC[C@H]1C(=O)NNC(=O)C1CNC1 ZINC000263620494 FA Annotated Reactive O=CN1C[C@H](NOS(=O)(=O)O)CC[C@H]1C(=O)NO[C@H]1CCNC1 ZINC000263620995 FA Annotated Mild CC(C)C(=O)N[C@H]1[C@H](C(=O)[C@@H](O)CO)O[C@H](C(=O)O)[C@@H](F)[C@@H]1N=[N+]=N ZINC000263621086 FA Annotated Clean CC(C)C(=O)N[C@H]1[C@@H](C(=O)[C@@H](O)CO)O[C@H](C(=O)O)[C@@H](F)[C@@H]1N=[N+]=N ZINC000263621087 FA Annotated Clean C=CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000263637796 FA Annotated Mild C=CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000263637797 FA Annotated Mild C=CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000263637798 FA Annotated Mild C=CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000263637799 FA Annotated Mild CN(C(=O)C[C@@H](N)c1cc(CN)on1)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026578525 FA Annotated Mild CN(C(=O)C[C@@H](N)c1cc(CN)on1)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026578526 FA Annotated Mild CN(C(=O)C[C@@H](N)c1csc(CN)n1)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026578850 FA Annotated Mild CN(C(=O)C[C@@H](N)c1csc(CN)n1)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026578851 FA Annotated Mild CN(C(=O)C[C@@H](N)CCCCN)[C@@H]1CN=C(NC2=NCCCN2)N=C1O ZINC000026579332 FA Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@H]1CN=C(NC2=NCCCN2)N=C1O ZINC000026579333 FA Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@H](CO)CSC[S@@](C)=O ZINC000026822042 FA Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@H](CO)CSC[S@](C)=O ZINC000026822047 FA Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)CSC[S@@](C)=O ZINC000026826734 FA Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)CSC[S@](C)=O ZINC000026826739 FA Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3C[C@@H](O)C[C@@H]3C(N)=O)S[C@H]12 ZINC000027420072 FA Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(CC(N)=O)CC(N)=O)S[C@H]12 ZINC000027420680 FA Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(C)CC(=O)NCC(N)=O)S[C@H]12 ZINC000027422392 FA Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3C[C@@H](O)C[C@H]3C(N)=O)S[C@H]12 ZINC000027425253 FA Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3C[C@H](O)C[C@H]3C(N)=O)S[C@H]12 ZINC000027425258 FA Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3C[C@H](O)C[C@@H]3C(N)=O)S[C@H]12 ZINC000027427370 FA Annotated Anodyne CN(CCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O)C(=N)N ZINC000027428749 FA Annotated Mild CN(CCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O)C(=N)N ZINC000027428753 FA Annotated Mild C=CCOC(=O)Nc1nc(=O)n([C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H]2O)cc1F ZINC000027550665 FA Annotated Mild C#CCOC(=O)Nc1nc(=O)n([C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H]2O)cc1F ZINC000027552109 FA Annotated Mild CCOC(=O)Cc1c(N)nc(N)n(CCOCP(=O)(O)O)c1=O ZINC000027556392 FA Annotated Anodyne N[C@@H](CCCNC(=O)c1ncn2c(=O)n(CCCl)nnc12)C(=O)O ZINC000027633768 FA Annotated Reactive N[C@H](CCCNC(=O)c1ncn2c(=O)n(CCCl)nnc12)C(=O)O ZINC000027633774 FA Annotated Reactive COC(=O)[C@@H](N)CCCNC(=O)c1ncn2c(=O)n(CCCl)nnc12 ZINC000027635507 FA Annotated Reactive COC(=O)[C@H](N)CCCNC(=O)c1ncn2c(=O)n(CCCl)nnc12 ZINC000027635513 FA Annotated Reactive CC(=O)OC[C@H](O[C@H](CO)COC(C)=O)n1cnc2c(N)nc(N)nc21 ZINC000028106592 FA Annotated Anodyne CC(=O)OC[C@H](CO)O[C@@H](COC(C)=O)n1cnc2c(N)nc(N)nc21 ZINC000028106598 FA Annotated Anodyne CC(=O)OC[C@@H](CO)O[C@H](COC(C)=O)n1cnc2c(N)nc(N)nc21 ZINC000028106604 FA Annotated Anodyne CC(=O)OC[C@H](CO)O[C@H](COC(C)=O)n1cnc2c(N)nc(N)nc21 ZINC000028106610 FA Annotated Anodyne CS[C@@H]1O[C@@H]([C@@H](NC(=O)C(Cl)Cl)[C@@H](C)O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000028243222 FA Annotated Reactive CS[C@H]1O[C@@H]([C@@H](NC(=O)C(Cl)Cl)[C@@H](C)O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000028243229 FA Annotated Reactive CS[C@@H]1O[C@H]([C@@H](NC(=O)C(Cl)Cl)[C@@H](C)O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000028243237 FA Annotated Reactive CS[C@H]1O[C@H]([C@@H](NC(=O)C(Cl)Cl)[C@@H](C)O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000028243245 FA Annotated Reactive CC(=O)N[C@H](C(=O)N1CSC[C@H]1C(N)=O)[C@@H](C)OP(=O)(O)O ZINC000028464061 FA Annotated Anodyne CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(N)=O)[C@@H](C)OP(=O)(O)O ZINC000028467106 FA Annotated Anodyne CC(=O)N[C@H](C(=O)N1C[C@@H](F)C[C@H]1C(N)=O)[C@@H](C)OP(=O)(O)O ZINC000028467681 FA Annotated Anodyne CC(=O)N[C@H](C(=O)N1C[C@H](F)C[C@H]1C(N)=O)[C@@H](C)OP(=O)(O)O ZINC000028468378 FA Annotated Anodyne CCC(CC)C(=O)N1C[C@@H](C(=O)O)[C@H](N=C(N)N)[C@H](O)[C@H]1NC(C)=O ZINC000028568304 FA Annotated Mild CC(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000029042386 FA Annotated Anodyne in-vitro biogenic CCC[C@H]1C(=O)N(CS(=O)(=O)N[C@@H](C)C(=O)OC)S(=O)(=O)N1C ZINC000029133205 FA Annotated Anodyne CCC[C@@H]1C(=O)N(CS(=O)(=O)N[C@@H](C)C(=O)OC)S(=O)(=O)N1C ZINC000029133207 FA Annotated Anodyne NC1=NC(=O)[C@@H]2N=CN([C@@H]3CSC4(COP(=O)(O)OC4)O3)[C@@H]2N1 ZINC000029203794 FA Annotated Anodyne NC1=NC(=O)[C@H]2N=CN([C@@H]3CSC4(COP(=O)(O)OC4)O3)[C@@H]2N1 ZINC000029203799 FA Annotated Anodyne NC1=NC(=O)[C@@H]2N=CN([C@H]3CSC4(COP(=O)(O)OC4)O3)[C@@H]2N1 ZINC000029203805 FA Annotated Anodyne NC1=NC(=O)[C@H]2N=CN([C@H]3CSC4(COP(=O)(O)OC4)O3)[C@@H]2N1 ZINC000029203810 FA Annotated Anodyne C/C(=C\c1ccc(O)c(O)c1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O ZINC000029328504 FA Annotated Clean C/C(=C\c1ccc(O)c(O)c1)C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O ZINC000029328507 FA Annotated Clean C/C(=C\c1ccc(N)c(O)c1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O ZINC000029334634 FA Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3[C@@H](CN)O[C@@H]3CO)[C@H](C)[C@@H]12 ZINC000029480665 FA Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3[C@@H](CN)O[C@@H]3CO)[C@H](C)[C@H]12 ZINC000029480669 FA Annotated Anodyne CC(=O)N[C@H](C(=O)N1CCOCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029557177 FA Annotated Mild CC(=O)N[C@@H](C(=O)N1CCOCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029557180 FA Annotated Mild CC(=O)N[C@H](C(=O)N1CCSCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029564276 FA Annotated Mild CC(=O)N[C@@H](C(=O)N1CCSCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029564282 FA Annotated Mild CNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@@H](N3C)[C@]12OC ZINC000299816587 FA Annotated Mild CNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@H](N3C)[C@@]12OC ZINC000299816588 FA Annotated Mild C[C@@](CO)(OP(=O)(O)O)[C@H](O)CO[P@](=O)(O)CP(=O)(O)O ZINC000299818917 FA Annotated Anodyne COc1cc(O)c2c(c1)C(=O)[C@@]13O[C@]1(C2=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]3O ZINC000299820714 FA Annotated Clean O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000299824301 FA Annotated Anodyne NC(=O)c1c(C(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)no[n+]1[O-] ZINC000299826013 FA Annotated Anodyne NC(=O)c1c(C(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)no[n+]1[O-] ZINC000299826015 FA Annotated Anodyne O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000299828339 FA Annotated Anodyne C=C[C@@H](O)[C@H](/C=C/C#CC#CC#CC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299836538 FA Annotated Mild C=C[C@H](O)[C@H](/C=C/C#CC#CC#CC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299836540 FA Annotated Mild C=C[C@@H](O)[C@@H](/C=C/C#CC#CC#CC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299836541 FA Annotated Mild C=C[C@H](O)[C@@H](/C=C/C#CC#CC#CC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299836543 FA Annotated Mild Cc1cn(Cc2cn(C[C@H](O)[C@@H](O)P(=O)(O)O)nn2)c(O)nc1=O ZINC000299836951 FA Annotated Anodyne CC(=O)[C@H]1O[C@H]([n+]2cccc([C@@H]3CCC(=O)N3C)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299841760 FA Annotated Anodyne CC(=O)[C@H]1O[C@@H]([n+]2cccc([C@@H]3CCC(=O)N3C)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299841762 FA Annotated Anodyne C/C(=N/NC(=S)N(C)C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)c1ccccn1 ZINC000299848904 FA Annotated Mild C/C(=N/NC(=S)N(C)C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)c1ccccn1 ZINC000299848906 FA Annotated Mild CC(=O)N[C@@H]1[C@@H](N)[C@@H](F)[C@](F)(C(=O)NCCO)O[C@H]1[C@H](O)[C@H](O)CO ZINC000299850188 FA Annotated Anodyne COC(=O)[C@]1(F)O[C@@H]([C@H](O)[C@H]2COC(=O)O2)[C@H](NC(C)=O)[C@@H](N)[C@H]1F ZINC000299852078 FA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](N)[C@@H](F)[C@](F)(C(=O)OC(C)C)O[C@H]1[C@H](O)[C@H](O)CO ZINC000299852421 FA Annotated Anodyne N=C(N)N1CCN([C@H]2C[C@@H](C(=O)N3CCC(F)(F)C3)N(C=O)C2)CC1 ZINC000299854179 FA Annotated Anodyne CC(C)/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000030160158 FA Annotated Mild in-vitro O=C(O)C1=C[C@H](O)[C@H](O)[C@H](O[C@@H]2[C@H](C(=O)O)O[C@@H](O)[C@@H](O)[C@H]2O)O1 ZINC000030725658 FA Annotated Anodyne in-vitro O=C(O)C1=C[C@H](O)[C@H](O)[C@H](O[C@@H]2[C@@H](C(=O)O)O[C@@H](O)[C@@H](O)[C@H]2O)O1 ZINC000030725661 FA Annotated Anodyne in-vitro CC[C@H](C)[C@H](C(=O)N[C@H](C)C(=O)NCC(N)=O)N(O)C(=O)CCl ZINC000306147244 FA Annotated Reactive C=C[C@](C)(CC[C@H](O)C(C)(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031160523 FA Annotated Mild in-vitro biogenic C=C[C@](C)(CC[C@@H](O)C(C)(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031160527 FA Annotated Mild in-vitro biogenic COc1ccc(/C=C2/N=C(N/N=C\[C@@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000031871636 FA Annotated Mild NC(=O)CC[C@@H](/N=C(/N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O ZINC000033493926 FA Annotated Mild NC(=O)CC[C@H](/N=C(/N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O ZINC000033493927 FA Annotated Mild Cc1cn(CC(=O)N(CCN)[C@H](CCCCN)C(=O)O)c(=O)[nH]c1=O ZINC000033821525 FA Annotated Anodyne COC(=O)[C@]1(O)[C@H]2C[C@]3([C@H](C)CC[C@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000033829774 FA Annotated Anodyne in-vitro biogenic OC[C@H]1O[C@H](/N=C2/N[C@@H]3[C@H](O2)[C@@H](O)[C@H](O)[C@]3(O)CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000033902717 FA Annotated Mild COC1=C(N[C@@H](CO)C(=O)O)C[C@](O)(COS(=O)(=O)O)CC1=N ZINC000034538212 FA Annotated Anodyne Nc1nc(=O)n([C@@H]2CO[C@H](CO)[C@H]2CO)cc1I ZINC000003784798 FA Annotated Anodyne C=CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H]2O)cc1F ZINC000003992370 FA Annotated Mild Cc1c(I)c(=O)[nH]c(=O)n1COC(CO)CO ZINC000035966282 FA Annotated Anodyne O=[N+]([O-])c1ccc(O/N=C2\O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000036176530 FA Annotated Mild NCCCC[C@@H](C(=O)N1CCNCC1)n1cc([C@@H](N)CC(N)=O)nn1 ZINC000036386744 FA Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)(O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 ZINC000036453060 FA Annotated Anodyne in-vitro biogenic CN1C[C@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)C(O)=N/C1=N\C(N)=O ZINC000036465165 FA Annotated Mild CN1C[C@@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)C(O)=N/C1=N\C(N)=O ZINC000036465166 FA Annotated Mild O=C(O)C1=C[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@H]2O)O1 ZINC000038190803 FA Annotated Anodyne in-vitro O=C(O)C1=C[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@H]2O)O1 ZINC000038190806 FA Annotated Anodyne in-vitro CC(=O)N(C)C1=NC[C@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)C(O)=N1 ZINC000038263482 FA Annotated Anodyne CC(=O)N(C)C1=NC[C@@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)C(O)=N1 ZINC000038263484 FA Annotated Anodyne CC#CC#CC#C/C=C/CC[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038495085 FA Annotated Mild CC(=O)N[C@@H]1C[C@@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O ZINC000038495279 FA Annotated Anodyne CC(=O)N[C@@H]1C[C@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O ZINC000038495280 FA Annotated Anodyne C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H](O)C=C[C@@H]2[C@@H]1CC[C@@]2(C)O ZINC000038699348 FA Annotated Anodyne in-vitro biogenic CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038792120 FA Annotated Mild in-vitro O=C(O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000038965442 FA Annotated Clean C=C(CC[C@@H](O)C(C)(C)O)[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038987403 FA Annotated Mild COC(=O)[C@@H](O)[C@@H]1OC(=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O ZINC000039095126 FA Annotated Clean in-vitro biogenic C=C(CC[C@@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO ZINC000039096090 FA Annotated Mild COC(=O)[C@]1(O)[C@H]2C[C@]3([C@H](C)C[C@@H](O)[C@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000039139774 FA Annotated Anodyne N=C(NCCO[P@@](=O)(O)OC[C@@H](N)C(=O)O)NP(=O)(O)O ZINC000004095944 FA Annotated Anodyne in-vitro O=C(O)C1=C[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@@H](C(=O)O)O[C@@H](O)[C@H](O)[C@H]2O)O1 ZINC000004096529 FA Annotated Anodyne in-vitro O=C(O)C1=C[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@@H](C(=O)O)O[C@@H](O)[C@H](O)[C@H]2O)O1 ZINC000004096535 FA Annotated Anodyne in-vitro CC(C)/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097573 FA Annotated Mild in-vitro CC1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 ZINC000004102165 FA Annotated Anodyne in-vitro biogenic CSC[S@@](=O)C[C@@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000004214329 FA Annotated Anodyne in-vitro CC(=O)N[C@H](C=O)[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O ZINC000040164477 FA Annotated Mild in-man CC(=O)N[C@H](C=O)[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O ZINC000040164478 FA Annotated Mild in-man CC(=O)N[C@H](C=O)[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000040164479 FA Annotated Mild in-man CC(=O)N[C@H](C=O)[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000040164480 FA Annotated Mild in-man O=C(O)COc1c2c(cc3c1C(=O)N[C@@H]1C3=C[C@H](O)[C@@H](O)[C@H]1O)OCO2 ZINC000040424184 FA Annotated Anodyne NC[C@@H](O)Cn1c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(O)c21 ZINC000040479982 FA Annotated Anodyne CC(C)[C@H](N)C(=O)O[C@H]1[C@H](CO)O[C@H](n2ccc(N)nc2=O)[C@@]1(C)O ZINC000040567699 FA Annotated Anodyne CC(C)[C@@H](N)C(=O)O[C@H]1[C@H](CO)O[C@H](n2ccc(N)nc2=O)[C@@]1(C)O ZINC000040567701 FA Annotated Anodyne NC1=NC(=O)[C@@H]2N=CN([C@H]3CSC4(COP(=O)(O)OC4)O3)[C@H]2N1 ZINC000040609106 FA Annotated Anodyne NC1=NC(=O)[C@@H]2N=CN([C@@H]3CSC4(COP(=O)(O)OC4)O3)[C@H]2N1 ZINC000040609109 FA Annotated Anodyne CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040685025 FA Annotated Anodyne CN(C)c1nc(N2C[C@@H](N)C[C@@H](N)C2)nc(N2C[C@@H](N)C[C@@H](N)C2)n1 ZINC000040753986 FA Annotated Anodyne CC(=O)N[C@H]1C[C@@H](S[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O ZINC000040812907 FA Annotated Anodyne CC(=O)N[C@H]1C[C@@H](S[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O ZINC000040812909 FA Annotated Anodyne CC(=O)N[C@H]1C[C@@H](S[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O ZINC000040812910 FA Annotated Anodyne CC(=O)N[C@H]1C[C@@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O ZINC000040812912 FA Annotated Anodyne CO[C@H]1O[C@H](CS[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O ZINC000040896866 FA Annotated Anodyne N[C@@H](CCn1c2c(c(=O)n(CC[C@H](N)C(=O)O)c1=O)CCC2)C(=O)O ZINC000040952239 FA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(Cl)=C(N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000043219844 FA Annotated Mild CS[C@@H]1O[C@H]([C@H](NC(=O)C(Cl)Cl)[C@H](C)O)[C@H](O)[C@H](O)[C@@H]1O ZINC000043504204 FA Annotated Unstable CN1[C@H]2CN3C4=C(C(=O)C(N)=C(Cl)C4=O)[C@H](COC(N)=O)[C@@]3(O)[C@H]21 ZINC000043845745 FA Annotated Mild COC1=C(Cl)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C ZINC000044182349 FA Annotated Mild C=CCn1c(=O)n([C@@H]2O[C@H](CO)[C@H]3OC(=O)O[C@H]32)c2nc(N)[nH]c(=O)c21 ZINC000004781523 FA Annotated Mild COc1cc(OC)nc(N2C(=O)CN(S(=O)(=O)N(C)C)CC2=O)n1 ZINC000045253328 FA Annotated Anodyne CC(C)O[C@H]1O[C@H](CO)[C@H](S[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]1O ZINC000045350204 FA Annotated Anodyne CC(C)O[C@H]1O[C@H](CO)[C@H](S[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C[C@H]1O ZINC000045357661 FA Annotated Anodyne O=S(=O)(NCCOCCOCCO)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000473087631 FA Annotated Anodyne [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=NC3[C@@H](O)[C@@H]3O)nc2O)[C@@H](F)[C@@H]1O ZINC000473134843 FA Annotated Clean [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=NC3[C@H](O)[C@H]3O)nc2O)[C@@H](F)[C@@H]1O ZINC000473134846 FA Annotated Clean [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=N[C@H]3[C@H](O)[C@@H]3O)nc2O)[C@@H](F)[C@@H]1O ZINC000473134849 FA Annotated Clean NC(=O)CC[C@H](/N=C(/N)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O ZINC000049014210 FA Annotated Mild NC(=O)CC[C@@H](/N=C(/N)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O ZINC000049014215 FA Annotated Mild O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@@H]1[C@H](O)CC(=O)[C@@]3(C[C@@H](O)N2)[C@H]1O ZINC000049109799 FA Annotated Mild in-vivo C#CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H]2O)cc1F ZINC000049110507 FA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000049589471 FA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000049589472 FA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N(C)C)C3=O)N1C[C@H]1N[C@H]12 ZINC000049695077 FA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N(C)C)C3=O)N1C[C@H]1N[C@H]12 ZINC000049695079 FA Annotated Mild CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N ZINC000049767620 FA Annotated Anodyne CC[C@H](C)[C@@H](C(=O)N[C@H](C)C(=O)NCC(N)=O)N(O)C(=O)CCl ZINC000005138497 FA Annotated Anodyne COc1cc(C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@H]2O)cc(O)c1O ZINC000525915278 FA Annotated Clean COc1cc(C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)cc(O)c1O ZINC000525915279 FA Annotated Clean COc1cc(C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@H]2O)cc(O)c1O ZINC000525915280 FA Annotated Clean COc1cc(C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)cc(O)c1O ZINC000525915281 FA Annotated Clean CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@]1(C)O ZINC000053188593 FA Annotated Anodyne in-man OC[C@@H]1O[C@H](S[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000053683748 FA Annotated Anodyne in-vivo COC(=O)NCCCCCC(=O)N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000053683764 FA Annotated Anodyne in-vivo C=C[C@H](O)C/C(=N/S(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000535360647 FA Annotated Mild C=C[C@@H](O)C/C(=N/S(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000535361018 FA Annotated Mild O=C(CNC(=O)c1ccccc1O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000535386061 FA Annotated Anodyne N#C[C@@]1(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C=C[C@@H](OS(=O)(=O)O)C1 ZINC000005554307 FA Annotated Mild in-man N#C[C@@]1(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C=C[C@H](OS(=O)(=O)O)C1 ZINC000005554310 FA Annotated Mild in-man N#C[C@]1(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C=C[C@@H](OS(=O)(=O)O)C1 ZINC000005554313 FA Annotated Mild in-man N#C[C@]1(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C=C[C@H](OS(=O)(=O)O)C1 ZINC000005554315 FA Annotated Mild in-man O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O ZINC000005724169 FA Annotated Bother O=[N+]([O-])c1nccn1C[C@@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O ZINC000005724170 FA Annotated Bother CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000005810556 FA Annotated Reactive CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O ZINC000005810558 FA Annotated Reactive CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(C)=O)[C@H]1NC(=O)N(CCCl)N=O ZINC000005810559 FA Annotated Reactive CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](OC(C)=O)[C@H]1NC(=O)N(CCCl)N=O ZINC000005810561 FA Annotated Reactive COc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@H](O)CO)NC2=O)cc1 ZINC000005832207 FA Annotated Mild COc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@@H](O)[C@H](O)CO)NC2=O)cc1 ZINC000005832221 FA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@H](O)CO)N/C1=C/c1ccc(Cl)cc1 ZINC000005832235 FA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C/c1ccc(Cl)cc1 ZINC000005832245 FA Annotated Mild CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c3cc4c(cc3[C@H]2[C@H]1O)OCO4 ZINC000005858231 FA Annotated Anodyne CO[C@@H](C(=O)N[C@H]1CC[C@H](O)CNC1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)C ZINC000005962419 FA Annotated Anodyne NC[C@@H](O)[C@@H](O)[C@@H](NC(=O)[C@H](N)[C@@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)C(=O)O ZINC000056874547 FA Annotated Anodyne in-vitro NC[C@@H](O)[C@@H](O)[C@@H](NC(=O)[C@H](N)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)C(=O)O ZINC000056874548 FA Annotated Anodyne in-vitro NC[C@@H](O)[C@H](O)[C@@H](NC(=O)[C@H](N)[C@@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)C(=O)O ZINC000056874551 FA Annotated Anodyne in-vitro NC[C@@H](O)[C@H](O)[C@@H](NC(=O)[C@H](N)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)C(=O)O ZINC000056874552 FA Annotated Anodyne in-vitro NC[C@@H](O)[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](O)[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000056874554 FA Annotated Anodyne in-vitro NC[C@@H](O)[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000056874555 FA Annotated Anodyne in-vitro NC[C@@H](O)[C@H](O)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](O)[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000056874557 FA Annotated Anodyne in-vitro NC[C@@H](O)[C@H](O)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000056874558 FA Annotated Anodyne in-vitro CC(=O)NCCC[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](O)[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000056874585 FA Annotated Anodyne in-vitro CN[C@H]1[C@H](O)[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O ZINC000056874855 FA Annotated Anodyne in-vitro O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000058587147 FA Annotated Mild O=P(O)(O)OC[C@@H](O)[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O ZINC000058632765 FA Annotated Anodyne CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(O)(O)[C@]3(O)O[C@H]12 ZINC000058650817 FA Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(O)nc(N)nc3[nH]2)c1 ZINC000586936643 FA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(O)ncnc2[nH]1)C(=O)O ZINC000587217482 FA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(O)ncnc2[nH]1)C(=O)O ZINC000587217496 FA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(O)ncnc2[nH]1)C(=O)O ZINC000587217497 FA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(O)ncnc2[nH]1)C(=O)O ZINC000587217500 FA Annotated Anodyne Nc1ncnc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 ZINC000587218404 FA Annotated Anodyne Nc1ncnc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 ZINC000587218422 FA Annotated Anodyne Nc1ncnc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 ZINC000587218423 FA Annotated Anodyne Nc1ncnc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 ZINC000587218424 FA Annotated Anodyne Nc1nc(O)c2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2n1 ZINC000587218698 FA Annotated Anodyne Nc1nc(O)c2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2n1 ZINC000587218710 FA Annotated Anodyne Nc1nc(O)c2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2n1 ZINC000587218712 FA Annotated Anodyne Nc1nc(O)c2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2n1 ZINC000587218714 FA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cnnc(O)c2[nH]1 ZINC000587218805 FA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cnnc(O)c2[nH]1 ZINC000587218807 FA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cnnc(O)c2[nH]1 ZINC000587218808 FA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cnnc(O)c2[nH]1 ZINC000587218809 FA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(O)ncnc2[nH]1 ZINC000587219720 FA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(O)ncnc2[nH]1 ZINC000587219721 FA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(O)ncnc2[nH]1 ZINC000587219722 FA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(O)ncnc2[nH]1 ZINC000587219723 FA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587219872 FA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587219878 FA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587219879 FA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587219881 FA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cnnc(O)c2[nH]1)C(=O)O ZINC000587220458 FA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cnnc(O)c2[nH]1)C(=O)O ZINC000587220460 FA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cnnc(O)c2[nH]1)C(=O)O ZINC000587220461 FA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cnnc(O)c2[nH]1)C(=O)O ZINC000587220464 FA Annotated Anodyne N=c1[nH]cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc-2[nH]1 ZINC000587222230 FA Annotated Anodyne N=c1[nH]cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc-2[nH]1 ZINC000587222235 FA Annotated Anodyne N=c1[nH]cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc-2[nH]1 ZINC000587222237 FA Annotated Anodyne N=c1[nH]cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc-2[nH]1 ZINC000587222239 FA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(O)nc(O)nc2[nH]1)C(=O)O ZINC000587224391 FA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(O)nc(O)nc2[nH]1)C(=O)O ZINC000587224394 FA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(O)nc(O)nc2[nH]1)C(=O)O ZINC000587224397 FA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(O)nc(O)nc2[nH]1)C(=O)O ZINC000587224399 FA Annotated Anodyne CC(=O)N[C@@H]([C@H]1CC(=O)c2cc(C)cc(N)c2O1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587390001 FA Annotated Anodyne CC(=O)N[C@@H]([C@@H]1CC(=O)c2cc(C)cc(N)c2O1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587390008 FA Annotated Anodyne CC(=O)N[C@@H]([C@@H]1CC(=O)c2cc(C)cc(N)c2O1)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587390009 FA Annotated Anodyne CC(=O)N[C@@H]([C@H]1CC(=O)c2cc(C)cc(N)c2O1)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587390010 FA Annotated Anodyne COC(=O)[C@]1([C@H](O)[C@@H](O)[C@@H](O)CO)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397665 FA Annotated Anodyne COC(=O)[C@]1([C@H](O)[C@@H](O)[C@H](O)CO)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397671 FA Annotated Anodyne COC(=O)[C@]1([C@H](O)[C@H](O)[C@@H](O)CO)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397672 FA Annotated Anodyne COC(=O)[C@]1([C@H](O)[C@H](O)[C@H](O)CO)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397675 FA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587403320 FA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587403323 FA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)O2 ZINC000587404451 FA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587404452 FA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587404454 FA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)O2 ZINC000587404455 FA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587404457 FA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)O2 ZINC000587404460 FA Annotated Anodyne COC(=O)[C@]1([C@H](O)[C@H](O)[C@H](O)CO)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444692 FA Annotated Anodyne COC(=O)[C@]1([C@H](O)[C@H](O)[C@@H](O)CO)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444693 FA Annotated Anodyne COC(=O)[C@]1([C@H](O)[C@@H](O)[C@H](O)CO)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444694 FA Annotated Anodyne COC(=O)[C@]1([C@H](O)[C@@H](O)[C@@H](O)CO)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444695 FA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)[C@@H](C2)C3=O ZINC000587448107 FA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)[C@@H](C2)C3=O ZINC000587448112 FA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587448549 FA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587448550 FA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587448551 FA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587448552 FA Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587452501 FA Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587452503 FA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587452565 FA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587452566 FA Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)([C@@H](O)[C@H](O)[C@@H](O)C(=O)O)[C@@H](C2)C3=O ZINC000587455265 FA Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)([C@@H](O)[C@H](O)[C@@H](O)C(=O)O)[C@@H](C2)C3=O ZINC000587455266 FA Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587455855 FA Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587455859 FA Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O ZINC000587478582 FA Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O ZINC000587478607 FA Annotated Anodyne C=CCO[C@]1(C(=O)O)C[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]([C@H](O)CO)O1 ZINC000059030856 FA Annotated Mild in-vitro O=C(O)[C@@](O)(C[C@@](O)(CO)COP(=O)(O)O)OP(=O)(O)O ZINC000059066421 FA Annotated Anodyne in-vitro O=C(O)[C@@](O)(C[C@](O)(CO)COP(=O)(O)O)OP(=O)(O)O ZINC000059066423 FA Annotated Anodyne in-vitro O=C(O)[C@](O)(C[C@@](O)(CO)COP(=O)(O)O)OP(=O)(O)O ZINC000059066426 FA Annotated Anodyne in-vitro O=C(O)[C@](O)(C[C@](O)(CO)COP(=O)(O)O)OP(=O)(O)O ZINC000059066428 FA Annotated Anodyne in-vitro C=C1CS[C@H]2[C@H](NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2[C@@H]1C(=O)O ZINC000059067045 FA Annotated Mild in-vitro C=C1CS[C@H]2[C@H](NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O ZINC000059067049 FA Annotated Mild in-vitro O=c1c2cc3nnn(C4CC4)c(=O)c3cc2nnn1CCn1ncnn1 ZINC000059185609 FA Annotated Bother C#CCn1nnc2cc3c(=O)n([C@H](C)Cn4ncnn4)nnc3cc2c1=O ZINC000059185765 FA Annotated Mild C=C[C@@H]1C2=CCO/C(=C\O)C2=CC(=O)[C@H]1O[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000059585848 FA Annotated Mild in-vitro biogenic C=CCC/C(=N/OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000059586551 FA Annotated Mild in-vitro biogenic O=c1ccc2c(o1)=CC(O)(O)C(O)(O)C=2c1cccc2ccc(=O)oc12 ZINC000059587863 FA Annotated Anodyne in-vitro biogenic O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N/C1=C\c1ccco1 ZINC000006009790 FA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N/C1=C\c1cccs1 ZINC000006009794 FA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@H](O)CO)N/C1=C\c1c[nH]c2ccccc12 ZINC000006009807 FA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C\c1c[nH]c2ccccc12 ZINC000006009809 FA Annotated Mild COc1ccc([C@H]2OC[C@H]3O[C@@H](O[C@@H]4[C@@H](O)CN[C@@H]42)[C@H](O)[C@H]3O)cc1 ZINC000006018412 FA Annotated Anodyne COC(=O)NCCCCCC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000006482316 FA Annotated Anodyne O=C(NCC(F)(F)F)c1csc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)n1 ZINC000061902911 FA Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)COC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947210 FA Annotated Anodyne CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)COC ZINC000061947222 FA Annotated Anodyne CO[C@H]1C[C@@H]2C(=O)N[C@@H](CN3CCN(CC(N)=O)CC3)N[C@H]2C[C@H]1OC ZINC000618014159 FA Annotated Anodyne CO[C@@H]1C[C@@H]2N[C@H](CN3CCN(CC(N)=O)CC3)NC(=O)[C@H]2C[C@H]1OC ZINC000618014170 FA Annotated Anodyne CO[C@@H]1C[C@@H]2N[C@H](CN3CCN(CC(N)=O)CC3)NC(=O)[C@@H]2C[C@H]1OC ZINC000618014171 FA Annotated Anodyne CO[C@H]1C[C@H]2C(=O)N[C@@H](CN3CCN(CC(N)=O)CC3)N[C@H]2C[C@H]1OC ZINC000618014172 FA Annotated Anodyne CCCN1C(=O)NC(=O)[C@H](C(=O)CN2CCC[C@H]2C(=O)N(C)C)[C@@H]1N ZINC000618015451 FA Annotated Anodyne CCCN1C(=O)NC(=O)[C@H](C(=O)CN2CCC[C@H]2C(=O)N(C)C)[C@H]1N ZINC000618015460 FA Annotated Anodyne COCCN1C(=O)NC(=O)[C@H](C(=O)CN2CCC[C@@H]2C(=O)N(C)C)[C@H]1N ZINC000618015672 FA Annotated Anodyne COCCN1C(=O)NC(=O)[C@H](C(=O)CN2CCC[C@H]2C(=O)N(C)C)[C@H]1N ZINC000618015673 FA Annotated Anodyne CC(=O)[C@H](C)N1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1CN1CCN(C)CC1 ZINC000618015901 FA Annotated Anodyne CC(=O)[C@H](C)N1[C@H](CN2CCN(C)CC2)N[C@@H]2[C@@H]1C(=O)NC(=O)N2C ZINC000618015903 FA Annotated Anodyne CC(=O)[C@H](C)N1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1CN1CCN(C)CC1 ZINC000618015904 FA Annotated Anodyne CC(=O)[C@H](C)N1[C@H](CN2CCN(C)CC2)N[C@H]2[C@@H]1C(=O)NC(=O)N2C ZINC000618015906 FA Annotated Anodyne CN1C(=O)N[C@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)SN[C@H]2C1=O ZINC000618016423 FA Annotated Anodyne CN1C(=O)N[C@@H]2[C@H](NS[C@H]2C(=O)N2CCC3(CC2)OCCO3)C1=O ZINC000618016424 FA Annotated Anodyne CN1C(=O)N[C@@H]2[C@@H](NS[C@H]2C(=O)N2CCC3(CC2)OCCO3)C1=O ZINC000618016425 FA Annotated Anodyne CN1C(=O)N[C@@H]2[C@H](NS[C@@H]2C(=O)N2CCC3(CC2)OCCO3)C1=O ZINC000618016426 FA Annotated Anodyne O=C(O)C1=C[C@@H](O)[C@@H](O)[C@@H](O[C@H]2[C@@H](C(=O)O)O[C@@H](O)[C@@H](O)[C@H]2O)O1 ZINC000062236159 FA Annotated Anodyne in-man O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O[C@H]2[C@@H](C(=O)O)O[C@@H](O)[C@@H](O)[C@H]2O)O1 ZINC000062236162 FA Annotated Anodyne in-man O=C(O)C1=C[C@@H](O)[C@H](O)[C@@H](O[C@H]2[C@@H](C(=O)O)O[C@@H](O)[C@@H](O)[C@H]2O)O1 ZINC000062236164 FA Annotated Anodyne in-man O=C(O)C1=C[C@@H](O)[C@H](O)[C@H](O[C@H]2[C@@H](C(=O)O)O[C@@H](O)[C@@H](O)[C@H]2O)O1 ZINC000062236168 FA Annotated Anodyne in-man C[C@]1(O)[C@H](O)c2c(c3c(=O)c4cccc(O)c4c(=O)c=3c2=[N+]=[N-])[C@H](O)[C@H]1O ZINC000064624566 FA Annotated Clean in-vitro CO[C@H]1[C@H](O[C@H]2[C@H](O)O[C@@H](C)[C@H](O)[C@H]2OC)O[C@@H](C)[C@H](O)[C@H]1OC ZINC000064633778 FA Annotated Anodyne in-vitro COC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](OC)[C@@H]1O ZINC000064633800 FA Annotated Anodyne in-vitro OC[C@@H](O)[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000064633957 FA Annotated Anodyne in-vitro C=CCO[C@]1(C(=O)O)C[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H]([C@H](O)CO)O1 ZINC000064633963 FA Annotated Mild in-vitro CO[C@@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O)[C@@H]2O)O[C@@H](C)[C@@H](OC)[C@H]1OC ZINC000064634191 FA Annotated Anodyne in-vitro OC[C@H]1O[C@@]2(CC(c3ccc4c(c3)OCCO4)=NO2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000653698584 FA Annotated Anodyne O=C(Nc1ccc2nsnc2c1)ONC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000653725572 FA Annotated Mild N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@@H]1O ZINC000653827903 FA Annotated Anodyne N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@@H]1O ZINC000653831300 FA Annotated Anodyne CCN(C(=O)C[C@@H](N)CCCNC(=N)N)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066066148 FA Annotated Mild CCN(C(=O)C[C@@H](N)CCCNC(=N)N)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066066149 FA Annotated Mild CN(C(=O)C[C@@H](N)CCCN/C(N)=N\O)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066073828 FA Annotated Mild CN(C(=O)C[C@@H](N)CCCN/C(N)=N\O)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066073829 FA Annotated Mild CN1C(=O)[C@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)CN=C1/N=C(/N)O ZINC000066075036 FA Annotated Mild CN1C(=O)[C@@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)CN=C1/N=C(/N)O ZINC000066075038 FA Annotated Mild CN(C)C(=S)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C1CC1 ZINC000066078410 FA Annotated Anodyne CC/C(O)=N/C1=NC(=O)[C@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)CN1 ZINC000066080595 FA Annotated Mild CC/C(O)=N/C1=NC(=O)[C@@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)CN1 ZINC000066080597 FA Annotated Mild CN(C(=O)C[C@@H](N)CCCNC(N)=O)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066099116 FA Annotated Mild CN(C(=O)C[C@@H](N)CCCNC(N)=O)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066099119 FA Annotated Mild CN(C(=O)C[C@@H](N)CCC(=O)N=C(N)N)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066099233 FA Annotated Mild CN(C(=O)C[C@@H](N)CCC(=O)N=C(N)N)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066099236 FA Annotated Mild CN1C(=O)[C@H]2C[C@@]3(CN2C(=O)c2cc(N)ccc21)O[C@H](CO)[C@@H](O)[C@@H]3O ZINC000066100593 FA Annotated Anodyne CN(C(=O)C[C@@H](N)CC1CCNCC1)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066136622 FA Annotated Mild CN(C(=O)C[C@@H](N)CC1CCNCC1)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066136623 FA Annotated Mild CN(C(=O)C[C@H](CCCCN)NC=O)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066157301 FA Annotated Mild CN(C(=O)C[C@H](CCCCN)NC=O)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066157303 FA Annotated Mild CN1C(=O)[C@@H]2C[C@]3(CN2C(=O)c2cc(N)ccc21)O[C@@H](CO)[C@H](O)[C@H]3O ZINC000066157476 FA Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1n1cc(F)c(=O)[nH]c1=O ZINC000066252313 FA Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1n1cc(F)c(=O)[nH]c1=O ZINC000066252558 FA Annotated Anodyne NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@]2(CC[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O ZINC000066252595 FA Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1n1cc(F)c(=O)[nH]c1=O ZINC000066259352 FA Annotated Anodyne O=[N+]([O-])c1nccn1C[C@H](F)COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000068245036 FA Annotated Bother O=[N+]([O-])c1nccn1C[C@@H](F)COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000068245038 FA Annotated Bother O=[N+]([O-])c1nccn1C[C@H](F)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000068245039 FA Annotated Bother O=[N+]([O-])c1nccn1C[C@@H](F)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000068245041 FA Annotated Bother C=C[C@H](CO[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CCOC(=O)[C@H]1CO ZINC000070454413 FA Annotated Mild in-vitro biogenic CC1(C)C[C@@H]2C[C@@H](O)[C@](C)(O1)[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2 ZINC000070455158 FA Annotated Anodyne in-vitro biogenic CC1(C)C[C@@]2(O)CC[C@@](C)(O1)[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)O2 ZINC000070455159 FA Annotated Anodyne in-vitro biogenic O=C(OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO)c1cc(O)c(O)c(O)c1 ZINC000070455327 FA Annotated Clean in-vitro biogenic C=C(CC[C@H](O)C(C)(C)O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000070455374 FA Annotated Mild in-vitro biogenic CC(C)(O)[C@H]1CC[C@@](C)(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)C1 ZINC000071340431 FA Annotated Anodyne CC(=O)NCCC[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](O)[C@H]1CN2C(=O)C[C@H]2O1 ZINC000071758617 FA Annotated Anodyne in-vitro CC(=O)OC[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c3cc4c(cc3[C@@H]12)OCO4 ZINC000072139705 FA Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O[C@H]1NS(N)(=O)=O ZINC000072178220 FA Annotated Anodyne Nc1nc(O)c(N)c(N[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)n1 ZINC000008217107 FA Annotated Anodyne in-vitro metabolite NCCn1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205468 FA Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CN)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205972 FA Annotated Anodyne COc1ccc([C@H]2OC[C@@H]3O[C@H](O[C@@H]4[C@@H](O)CN[C@@H]42)[C@H](O)[C@H]3O)cc1 ZINC000083921942 FA Annotated Anodyne in-vitro COc1ccc([C@H]2OC[C@@H]3O[C@H](O[C@@H]4[C@@H](O)CN[C@H]42)[C@H](O)[C@H]3O)cc1 ZINC000083921944 FA Annotated Anodyne in-vitro COc1ccc([C@H]2OC[C@@H]3O[C@H](O[C@H]4[C@@H](O)CN[C@H]24)[C@H](O)[C@H]3O)cc1 ZINC000083921945 FA Annotated Anodyne in-vitro COc1ccc([C@H]2OC[C@@H]3O[C@H](O[C@H]4[C@@H](O)CN[C@@H]24)[C@H](O)[C@H]3O)cc1 ZINC000083921946 FA Annotated Anodyne in-vitro NC[C@@H](O)[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](O)[C@H]1CN2C(=O)C[C@H]2O1 ZINC000083923101 FA Annotated Anodyne in-vitro NC[C@@H](O)[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@H]2O1 ZINC000083923103 FA Annotated Anodyne in-vitro C[C@H](OS(=O)(=O)O)[C@H]1C(=O)N2C(C(=O)O)=C(S(=O)(=O)O)C[C@H]12 ZINC000083923122 FA Annotated Anodyne in-vitro NC[C@@H](O)[C@@H](O)[C@@H](NC(=O)[C@H](N)[C@@H](O)[C@H]1CN2C(=O)C[C@H]2O1)C(=O)O ZINC000083923137 FA Annotated Anodyne in-vitro NC[C@@H](O)[C@@H](O)[C@@H](NC(=O)[C@H](N)[C@H](O)[C@H]1CN2C(=O)C[C@H]2O1)C(=O)O ZINC000083923138 FA Annotated Anodyne in-vitro NC[C@H]1O[C@H](CO)[C@@H](N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000084394914 FA Annotated Anodyne Cc1cn(COC(=O)[C@H](O)C[C@H](N)C(=O)N(C)CC(=O)O)c(=O)[nH]c1=O ZINC000084415163 FA Annotated Anodyne Cc1cn(COC(=O)[C@@H](O)C[C@H](N)C(=O)N(C)CC(=O)O)c(=O)[nH]c1=O ZINC000084415164 FA Annotated Anodyne COC(=O)CNC(=O)CNC(=O)CN1CCCNCCCNCCC1 ZINC000084586863 FA Annotated Anodyne CO[C@H]1O[C@H](C)[C@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000084687146 FA Annotated Anodyne Cn1c(=O)n(C)c(=O)n(CCCCCC[S@@](=O)CC(=O)NN)c1=O ZINC000084704376 FA Annotated Reactive Cn1c(=O)n(C)c(=O)n(CCCCCC[S@](=O)CC(=O)NN)c1=O ZINC000084704379 FA Annotated Reactive Cn1c(=O)n(C)c(=O)n(CCCCCCS(=O)(=O)CC(N)=O)c1=O ZINC000084705765 FA Annotated Anodyne Cn1c(=O)n(C)c(=O)n(CCCCCS(=O)(=O)CC(=O)NN)c1=O ZINC000084709295 FA Annotated Reactive CO[C@H]1O[C@H](C)[C@@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000084712776 FA Annotated Anodyne Cn1c(=O)n(C)c(=O)n(C[C@H](O)CS(=O)(=O)CC(=O)NN)c1=O ZINC000084713647 FA Annotated Reactive Cn1c(=O)n(C)c(=O)n(C[C@@H](O)CS(=O)(=O)CC(=O)NN)c1=O ZINC000084713649 FA Annotated Reactive CC1(C)[C@@H]2C(=O)C[C@@]1(C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)C(O)(O)[C@H]1O)[C@@H]2O ZINC000085487009 FA Annotated Anodyne in-vitro biogenic C[C@H](OS(=O)(=O)O)[C@@H]1C(=O)N2C(C(=O)O)=C([S@@](=O)CCO)C[C@H]12 ZINC000085545518 FA Annotated Anodyne CCc1ccc2nc(CO)c(OC(=O)[C@@H]3O[C@@](O)(CO)[C@H](O)[C@H]3O)[c-]2c1 ZINC000085569275 FA Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000085588727 FA Annotated Anodyne in-man endogenous O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000085588730 FA Annotated Anodyne in-man O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000085588735 FA Annotated Anodyne in-man C=C[C@H]1[C@H](O[C@@H]2O[C@](C)(CO)[C@H](O)[C@@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21 ZINC000085645415 FA Annotated Mild in-vitro biogenic O=C(O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000085794981 FA Annotated Clean in-man O=C(O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000085794982 FA Annotated Clean in-man O=C(O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000085794985 FA Annotated Clean in-man O=C(O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000085794990 FA Annotated Clean in-man COC(=O)[C@H](O)[C@H]1OC(=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O ZINC000085795082 FA Annotated Clean in-man COC(=O)[C@@H](O)[C@H]1OC(=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O ZINC000085795083 FA Annotated Clean in-man COC(=O)[C@H](O)[C@@H]1OC(=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O ZINC000085795087 FA Annotated Clean in-man COC(=O)[C@@H](O)[C@@H]1OC(=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O ZINC000085795089 FA Annotated Clean in-man COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)[C@@H](O)[C@H]1O ZINC000085795111 FA Annotated Clean in-man COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H]1OC(=O)[C@@H](O)[C@H]1O ZINC000085795113 FA Annotated Clean in-man COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1OC(=O)[C@@H](O)[C@H]1O ZINC000085795143 FA Annotated Clean in-man COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1OC(=O)[C@@H](O)[C@H]1O ZINC000085795146 FA Annotated Clean in-man CC(C)O[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085809053 FA Annotated Anodyne in-man CC(C)O[C@@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085809055 FA Annotated Anodyne in-man CC(C)O[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000085809058 FA Annotated Anodyne in-man CC(C)O[C@@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000085809061 FA Annotated Anodyne in-man COC(=O)C[C@@]1(O)[C@@H]2C(OC)=CC(=O)[C@@]1(O)CC(=O)[C@]2(O)C(=O)OC ZINC000085847033 FA Annotated Mild N=C1N[C@H]2[C@@H](CO)NC(=N)N3C[C@H](OS(=O)(=O)O)C(O)(O)[C@]23N1 ZINC000085911994 FA Annotated Anodyne in-man C[C@@](O)(CO)[C@H]1CC[C@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1 ZINC000086034414 FA Annotated Anodyne in-man C[C@@](O)(CO)[C@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1 ZINC000086034419 FA Annotated Anodyne in-man C[C@]1(O)CC[C@@H]([C@](C)(O)CO)C[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086034425 FA Annotated Anodyne in-man C[C@@](O)(CO)[C@@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1 ZINC000086034430 FA Annotated Anodyne in-man CC(C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]1CC[C@](C)(O)[C@@H](O)C1 ZINC000086034508 FA Annotated Anodyne in-man CC(C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]1CC[C@@](C)(O)[C@@H](O)C1 ZINC000086034511 FA Annotated Anodyne in-man CC(C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H]1CC[C@](C)(O)[C@@H](O)C1 ZINC000086034514 FA Annotated Anodyne in-man CC(C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1 ZINC000086034519 FA Annotated Anodyne in-man C=C(CC[C@@H](O)C(C)(C)O)[C@@H](CO)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086051651 FA Annotated Mild in-man C=C(CC[C@H](O)C(C)(C)O)[C@@H](CO)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086051652 FA Annotated Mild in-man C=C(CC[C@@H](O)C(C)(C)O)[C@H](CO)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086051653 FA Annotated Mild in-man C=C(CC[C@H](O)C(C)(C)O)[C@H](CO)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086051654 FA Annotated Mild in-man CO[C@@H]1[C@H](O[C@@H]2[C@@H](O)[C@@H](OC)[C@@H](CO)O[C@H]2O)O[C@@H](C)[C@@H](O)[C@H]1O ZINC000087527696 FA Annotated Anodyne in-vitro CO[C@H]1O[C@H](CO[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O ZINC000087527878 FA Annotated Anodyne in-vitro N/C(=N\O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)N1CCc2ccccc2C1 ZINC000087529143 FA Annotated Mild in-vitro N=C1N[C@@H](CO)[C@H]2NC(N)=N[C@]23N1C[C@H](OS(=O)(=O)O)C3(O)O ZINC000090697506 FA Annotated Anodyne in-man biogenic N=C1N[C@@H](CO)[C@H]2NC(N)=N[C@]23N1C[C@@H](OS(=O)(=O)O)C3(O)O ZINC000090697507 FA Annotated Anodyne in-man biogenic Nc1nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)nc(N2CCOCC2)n1 ZINC000095562511 FA Annotated Anodyne CC1=NN(c2nc(N)nc(Cn3ccc(=O)c(S(N)(=O)=O)c3)n2)CC1 ZINC000095562700 FA Annotated Anodyne CO[C@H]1O[C@@H](CO[C@H]2S[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000095565022 FA Annotated Anodyne C[C@@H]1[C@@H](O)OC[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095578263 FA Annotated Anodyne CC(=O)O[C@H]1[C@H](C)O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095590676 FA Annotated Anodyne CCOC(=O)Cn1cc(CNC(=O)c2cn(CCOC(C)=O)nn2)nn1 ZINC000095595609 FA Annotated Anodyne CC(=O)OCCn1cc(CNC(=O)c2cn(CCOC(C)=O)nn2)nn1 ZINC000095598219 FA Annotated Anodyne O=C(CC[C@@H](O)Cc1ccccc1)O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095626078 FA Annotated Anodyne in-man O=C(CC[C@H](O)Cc1ccccc1)O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095626079 FA Annotated Anodyne in-man O=C(CC[C@@H](O)Cc1ccccc1)O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095626080 FA Annotated Anodyne in-man O=C(CC[C@H](O)Cc1ccccc1)O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095626081 FA Annotated Anodyne in-man C[C@H](N)C(=O)OC[C@H](O)CO[P@@](=O)(O)OC[C@@H](COC=O)OC=O ZINC000095636317 FA Annotated Anodyne in-vitro COC(=O)CCCCCCC(=O)N/N=C/[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000095808910 FA Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000095808921 FA Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000095808922 FA Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000095809401 FA Annotated Reactive C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)C(=O)[C@H]3O)[C@H]12 ZINC000095910128 FA Annotated Anodyne CC1(C)c2cc(O)c(O)cc2CCN1C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000095910621 FA Annotated Clean in-vitro biogenic C=C(CC[C@@H](O)C(C)(C)O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095910774 FA Annotated Mild in-vitro biogenic C[C@]12O[C@H]1C[C@@H]1C(C(=O)O)=CO[C@@H](C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12 ZINC000095911301 FA Annotated Anodyne in-vitro biogenic C=C[C@H](O)C/C(=N/OS(=O)(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095911977 FA Annotated Mild in-vitro biogenic O=S(=O)(O)O/N=C(/CCO)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095912049 FA Annotated Mild in-vitro biogenic C[C@]1(O)CC[C@@H]([C@@](C)(O)CO)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095913488 FA Annotated Anodyne in-vitro biogenic C[C@]1(O)CC[C@@H]([C@](C)(O)CO)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095913489 FA Annotated Anodyne in-vitro biogenic O=C(O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000095913756 FA Annotated Clean in-vitro biogenic Nc1ccn([C@@H]2O[C@@](CO)(n3cc(C4CC4)nn3)[C@@H](O)[C@@H]2F)c(=O)n1 ZINC000096907160 FA Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)CS[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000096928286 FA Annotated Anodyne O=C(/N=C1/NC(=O)[C@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)S1)c1ccccc1 ZINC000098209152 FA Annotated Mild O=CN1C[C@H](NOS(=O)(=O)O)CC[C@H]1C(=O)NC1CCNCC1 ZINC000098209180 FA Annotated Mild